diff --git a/.github/ISSUE_TEMPLATE/generic.md b/.github/ISSUE_TEMPLATE/generic.md
new file mode 100644
index 0000000000000000000000000000000000000000..15d2763919fdc531040b3110eec19832720c09dd
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/generic.md
@@ -0,0 +1,21 @@
+---
+name: Generic Issue
+about: For issues that do not fit any of the other categories
+title: "_Replace With a Descriptive Title_"
+labels: 
+assignees: ''
+
+---
+
+**Summary**
+
+_Please provide a clear and concise description of what this issue report is about._
+
+**LAMMPS Version and Platform**
+
+_Please specify precisely which LAMMPS version this issue was detected with (the first line of the output) and what platform (operating system and its version, hardware) you are running on. If possible, test with the most recent LAMMPS patch version_
+
+**Details**
+
+_Please explain the issue in detail here_
+
diff --git a/.github/ISSUE_TEMPLATE/help_request.md b/.github/ISSUE_TEMPLATE/help_request.md
new file mode 100644
index 0000000000000000000000000000000000000000..5e5b3ebffd2d146042ca35b28eb3a9d0bbffad86
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/help_request.md
@@ -0,0 +1,15 @@
+---
+name: Request for Help
+about: "Don't post help requests here, email the lammps-users mailing list"
+title: ""
+labels: invalid
+assignees: ''
+
+---
+
+Please **do not** post requests for help (e.g. with installing or using LAMMPS) here.
+Instead send an e-mail to the lammps-users mailing list.
+
+This issue tracker is for tracking LAMMPS development related issues only.
+
+Thanks for your cooperation.
diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md
index 32b76a079c8aa86f1ec26850b7d2fb29bc10a4e2..9e43aa024440acc0557054f75e991aaf724c7171 100644
--- a/.github/PULL_REQUEST_TEMPLATE.md
+++ b/.github/PULL_REQUEST_TEMPLATE.md
@@ -4,22 +4,19 @@ _Briefly describe the new feature(s), enhancement(s), or bugfix(es) included in
 
 **Related Issues**
 
-__If this addresses an open GitHub Issue, mention the issue number here. Use the phrases `fixes #221` or `closes #135`, when you want those issues to be automatically closed when the pull request is merged_
+_If this addresses an open GitHub issue for this project, please mention the issue number here, and describe the relation. Use the phrases `fixes #221` or `closes #135`, when you want an issue to be automatically closed when the pull request is merged_
 
 **Author(s)**
 
-_Please state name and affiliation of the author or authors that should be credited with the changes in this pull request. If this pull request adds new files to the distribution, please also provide a suitable "long-lived" e-mail address (e.g. from gmail, yahoo, outlook, etc.) for the *corresponding* author, i.e. the person the LAMMPS developers can contact directly with questions and requests related to maintenance and support of this code. now and in the future_
+_Please state name and affiliation of the author or authors that should be credited with the changes in this pull request. If this pull request adds new files to the distribution, please also provide a suitable "long-lived" e-mail address (ideally something that can outlive your institution's e-mail, in case you change jobs) for the *corresponding* author, i.e. the person the LAMMPS developers can contact directly with questions and requests related to maintenance and support of this contributed code._
 
 **Licensing**
 
-By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under the GNU General Public License version 2.
-
-_Please complete the following statement by adding "yes" or "no":_
-My contribution may be re-licensed as LGPL (for use of LAMMPS as a library linked to proprietary software):
+By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).
 
 **Backward Compatibility**
 
-_Please state whether any changes in the pull request break backward compatibility for inputs, and - if yes - explain what has been changed and why_
+_Please state whether any changes in the pull request will break backward compatibility for inputs, and - if yes - explain what has been changed and why_
 
 **Implementation Notes**
 
@@ -27,7 +24,7 @@ _Provide any relevant details about how the changes are implemented, how correct
 
 **Post Submission Checklist**
 
-_Please check the fields below as they are completed **after** the pull request has been submitted_
+_Please check the fields below as they are completed **after** the pull request has been submitted. Delete lines that don't apply_
 
 - [ ] The feature or features in this pull request is complete
 - [ ] Licensing information is complete
diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 9ad64a59edeb91fd1362deb29daa569a9511e552..bde36aa8962d8801315306ae2dd400c4cf2ae00d 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -10,6 +10,11 @@ get_filename_component(LAMMPS_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../src ABSO
 get_filename_component(LAMMPS_LIB_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../lib ABSOLUTE)
 get_filename_component(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib ABSOLUTE)
 get_filename_component(LAMMPS_DOC_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../doc ABSOLUTE)
+get_filename_component(LAMMPS_TOOLS_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../tools ABSOLUTE)
+get_filename_component(LAMMPS_PYTHON_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../python ABSOLUTE)
+get_filename_component(LAMMPS_POTENTIALS_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../potentials ABSOLUTE)
+
+find_package(Git)
 
 # by default, install into $HOME/.local (not /usr/local), so that no root access (and sudo!!) is needed
 if (CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
@@ -21,58 +26,13 @@ file(GLOB LIB_SOURCES ${LAMMPS_SOURCE_DIR}/[^.]*.cpp)
 file(GLOB LMP_SOURCES ${LAMMPS_SOURCE_DIR}/main.cpp)
 list(REMOVE_ITEM LIB_SOURCES ${LMP_SOURCES})
 
-# Utility functions
-function(list_to_bulletpoints result)
-    list(REMOVE_AT ARGV 0)
-    set(temp "")
-    foreach(item ${ARGV})
-        set(temp "${temp}* ${item}\n")
-    endforeach()
-    set(${result} "${temp}" PARENT_SCOPE)
-endfunction(list_to_bulletpoints)
-
-function(validate_option name values)
-    string(TOLOWER ${${name}} needle_lower)
-    string(TOUPPER ${${name}} needle_upper)
-    list(FIND ${values} ${needle_lower} IDX_LOWER)
-    list(FIND ${values} ${needle_upper} IDX_UPPER)
-    if(${IDX_LOWER} LESS 0 AND ${IDX_UPPER} LESS 0)
-        list_to_bulletpoints(POSSIBLE_VALUE_LIST ${${values}})
-        message(FATAL_ERROR "\n########################################################################\n"
-                            "Invalid value '${${name}}' for option ${name}\n"
-                            "\n"
-                            "Possible values are:\n"
-                            "${POSSIBLE_VALUE_LIST}"
-                            "########################################################################")
-    endif()
-endfunction(validate_option)
-
-function(get_lammps_version version_header variable)
-    file(READ ${version_header} line)
-    set(MONTHS x Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec)
-    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\1" day "${line}")
-    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\2" month "${line}")
-    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\3" year "${line}")
-    string(STRIP ${day} day)
-    string(STRIP ${month} month)
-    string(STRIP ${year} year)
-    list(FIND MONTHS "${month}" month)
-    string(LENGTH ${day} day_length)
-    string(LENGTH ${month} month_length)
-    if(day_length EQUAL 1)
-        set(day "0${day}")
-    endif()
-    if(month_length EQUAL 1)
-        set(month "0${month}")
-    endif()
-    set(${variable} "${year}${month}${day}" PARENT_SCOPE)
-endfunction()
-
-get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)
-
 # Cmake modules/macros are in a subdirectory to keep this file cleaner
 set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules)
 
+include(LAMMPSUtils)
+
+get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)
+
 include(PreventInSourceBuilds)
 
 if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
@@ -83,27 +43,14 @@ string(TOUPPER "${CMAKE_BUILD_TYPE}" BTYPE)
 
 # check for files auto-generated by make-based buildsystem
 # this is fast, so check for it all the time
-message(STATUS "Running check for auto-generated files from make-based build system")
-file(GLOB SRC_AUTOGEN_FILES ${LAMMPS_SOURCE_DIR}/style_*.h)
-list(APPEND SRC_AUTOGEN_FILES ${LAMMPS_SOURCE_DIR}/lmpinstalledpkgs.h)
-foreach(_SRC ${SRC_AUTOGEN_FILES})
-  get_filename_component(FILENAME "${_SRC}" NAME)
-  if(EXISTS ${LAMMPS_SOURCE_DIR}/${FILENAME})
-    message(FATAL_ERROR "\n########################################################################\n"
-                          "Found header file(s) generated by the make-based build system\n"
-                          "\n"
-                          "Please run\n"
-                          "make -C ${LAMMPS_SOURCE_DIR} purge\n"
-                          "to remove\n"
-                          "########################################################################")
-  endif()
-endforeach()
+check_for_autogen_files(${LAMMPS_SOURCE_DIR})
 
 ######################################################################
 # compiler tests
 # these need ot be done early (before further tests).
 #####################################################################
 include(CheckCCompilerFlag)
+include(CheckIncludeFileCXX)
 
 if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
   set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
@@ -159,6 +106,8 @@ if(BUILD_LIB)
   endif()
 endif()
 
+option(BUILD_TOOLS "Build and install LAMMPS tools (msi2lmp, binary2txt, chain)" OFF)
+
 if(NOT BUILD_EXE AND NOT BUILD_LIB)
   message(FATAL_ERROR "You need to at least enable one of two following options: BUILD_LIB or BUILD_EXE")
 endif()
@@ -170,37 +119,34 @@ set(LAMMPS_LINK_LIBS)
 set(LAMMPS_DEPS)
 set(LAMMPS_API_DEFINES)
 
-set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
-  KSPACE MANYBODY MC MESSAGE MISC MOLECULE PERI REPLICA RIGID SHOCK
-  SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE USER-ATC USER-AWPMD
-  USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS USER-DIFFRACTION
-  USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD
-  USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
-  USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC USER-SCAFACOS
-  USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK
-  USER-QUIP USER-QMMM USER-YAFF)
+set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE
+  GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC MOLECULE PERI POEMS QEQ
+  REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
+  USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS
+  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB
+  USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
+  USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC
+  USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF
+  USER-VTK USER-QUIP USER-QMMM USER-YAFF USER-ADIOS)
 set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
-set(OTHER_PACKAGES CORESHELL QEQ)
-foreach(PKG ${DEFAULT_PACKAGES})
-  option(PKG_${PKG} "Build ${PKG} Package" OFF)
-endforeach()
-foreach(PKG ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
+foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES})
   option(PKG_${PKG} "Build ${PKG} Package" OFF)
 endforeach()
 
 ######################################################
 # packages with special compiler needs or external libs
 ######################################################
-if(PKG_USER-QUIP OR PKG_USER-QMMM OR PKG_LATTE OR PKG_USER-SCAFACOS)
-  enable_language(Fortran)
-endif()
+include_directories(${LAMMPS_SOURCE_DIR})
 
-if(PKG_USER-H5MD OR PKG_USER-QMMM OR PKG_USER-SCAFACOS)
+if(PKG_USER-ADIOS)
+  # The search for ADIOS2 must come before MPI because
+  # it includes its own MPI search with the latest FindMPI.cmake
+  # script that defines the MPI::MPI_C target
   enable_language(C)
+  find_package(ADIOS2 REQUIRED)
+  list(APPEND LAMMPS_LINK_LIBS adios2::adios2)
 endif()
 
-include_directories(${LAMMPS_SOURCE_DIR})
-
 # do MPI detection after language activation, if MPI for these language is required
 find_package(MPI QUIET)
 option(BUILD_MPI "Build MPI version" ${MPI_FOUND})
@@ -220,7 +166,6 @@ else()
   list(APPEND LAMMPS_LINK_LIBS mpi_stubs)
 endif()
 
-
 set(LAMMPS_SIZES "smallbig" CACHE STRING "LAMMPS integer sizes (smallsmall: all 32-bit, smallbig: 64-bit #atoms #timesteps, bigbig: also 64-bit imageint, 64-bit atom ids)")
 set(LAMMPS_SIZES_VALUES smallbig bigbig smallsmall)
 set_property(CACHE LAMMPS_SIZES PROPERTY STRINGS ${LAMMPS_SIZES_VALUES})
@@ -243,62 +188,6 @@ if(LAMMPS_EXCEPTIONS)
   set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_EXCEPTIONS")
 endif()
 
-option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)
-
-option(ENABLE_TESTING "Enable testing" OFF)
-if(ENABLE_TESTING AND BUILD_EXE)
-  enable_testing()
-  option(LAMMPS_TESTING_SOURCE_DIR "Location of lammps-testing source directory" "")
-  option(LAMMPS_TESTING_GIT_TAG    "Git tag of lammps-testing" "master")
-  mark_as_advanced(LAMMPS_TESTING_SOURCE_DIR LAMMPS_TESTING_GIT_TAG)
-
-  if (CMAKE_VERSION VERSION_GREATER "3.10.3" AND NOT LAMMPS_TESTING_SOURCE_DIR)
-    include(FetchContent)
-
-    FetchContent_Declare(lammps-testing
-      GIT_REPOSITORY https://github.com/lammps/lammps-testing.git
-      GIT_TAG ${LAMMPS_TESTING_GIT_TAG}
-    )
-
-    FetchContent_GetProperties(lammps-testing)
-    if(NOT lammps-testing_POPULATED)
-      message(STATUS "Downloading tests...")
-      FetchContent_Populate(lammps-testing)
-    endif()
-
-    set(LAMMPS_TESTING_SOURCE_DIR ${lammps-testing_SOURCE_DIR})
-  elseif(NOT LAMMPS_TESTING_SOURCE_DIR)
-    message(WARNING "Full test-suite requires CMake >= 3.11 or copy of\n"
-                    "https://github.com/lammps/lammps-testing in LAMMPS_TESTING_SOURCE_DIR")
-  endif()
-
-  if(EXISTS ${LAMMPS_TESTING_SOURCE_DIR})
-    message(STATUS "Running test discovery...")
-
-    file(GLOB_RECURSE TEST_SCRIPTS ${LAMMPS_TESTING_SOURCE_DIR}/tests/core/*/in.*)
-    foreach(script_path ${TEST_SCRIPTS})
-      get_filename_component(TEST_NAME ${script_path} EXT)
-      get_filename_component(SCRIPT_NAME ${script_path} NAME)
-      get_filename_component(PARENT_DIR ${script_path} DIRECTORY)
-      string(SUBSTRING ${TEST_NAME} 1 -1 TEST_NAME)
-      string(REPLACE "-" "_" TEST_NAME ${TEST_NAME})
-      string(REPLACE "+" "_" TEST_NAME ${TEST_NAME})
-      set(TEST_NAME "test_core_${TEST_NAME}_serial")
-      add_test(${TEST_NAME} ${CMAKE_BINARY_DIR}/${LAMMPS_BINARY} -in ${SCRIPT_NAME})
-      set_tests_properties(${TEST_NAME} PROPERTIES WORKING_DIRECTORY ${PARENT_DIR})
-    endforeach()
-    list(LENGTH TEST_SCRIPTS NUM_TESTS)
-
-    message(STATUS "Found ${NUM_TESTS} tests.")
-  endif()
-endif()
-
-macro(pkg_depends PKG1 PKG2)
-  if(PKG_${PKG1} AND NOT (PKG_${PKG2} OR BUILD_${PKG2}))
-    message(FATAL_ERROR "${PKG1} package needs LAMMPS to be build with ${PKG2}")
-  endif()
-endmacro()
-
 # "hard" dependencies between packages resulting
 # in an error instead of skipping over files
 pkg_depends(MPIIO MPI)
@@ -308,56 +197,36 @@ pkg_depends(USER-PHONON KSPACE)
 pkg_depends(USER-SCAFACOS MPI)
 
 find_package(OpenMP QUIET)
-option(BUILD_OMP "Build with OpenMP support" ${OpenMP_FOUND})
-if(BUILD_OMP OR PKG_KOKKOS OR PKG_USER-INTEL)
+
+# TODO: this is a temporary workaround until a better solution is found. AK 2019-05-30
+# GNU GCC 9.x uses settings incompatible with our use of 'default(none)' in OpenMP pragmas
+# where we assume older GCC semantics. For the time being, we disable OpenMP by default
+# for GCC 9.x and beyond. People may manually turn it on, but need to run the script
+# src/USER-OMP/hack_openmp_for_pgi_gcc9.sh on all sources to make it compatible with gcc 9.
+if ((CMAKE_CXX_COMPILER_ID STREQUAL "GNU") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 8.99.9))
+  option(BUILD_OMP "Build with OpenMP support" OFF)
+else()
+  option(BUILD_OMP "Build with OpenMP support" ${OpenMP_FOUND})
+endif()
+
+if(BUILD_OMP)
   find_package(OpenMP REQUIRED)
+  check_include_file_cxx(omp.h HAVE_OMP_H_INCLUDE)
+  if(NOT HAVE_OMP_H_INCLUDE)
+    message(FATAL_ERROR "Cannot find required 'omp.h' header file")
+  endif()
   set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
   set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
 endif()
 
-if(PKG_KSPACE)
-  option(FFT_SINGLE "Use single precision FFT instead of double" OFF)
-  set(FFTW "FFTW3")
-  if(FFT_SINGLE)
-    set(FFTW "FFTW3F")
-    add_definitions(-DFFT_SINGLE)
-  endif()
-  find_package(${FFTW} QUIET)
-  if(${FFTW}_FOUND)
-    set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package")
-  else()
-    set(FFT "KISS" CACHE STRING "FFT library for KSPACE package")
-  endif()
-  set(FFT_VALUES KISS ${FFTW} MKL)
-  set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES})
-  validate_option(FFT FFT_VALUES)
-  string(TOUPPER ${FFT} FFT)
-  if(NOT FFT STREQUAL "KISS")
-    find_package(${FFT} REQUIRED)
-    if(NOT FFT STREQUAL "FFTW3F")
-      add_definitions(-DFFT_FFTW)
-    else()
-      add_definitions(-DFFT_${FFT})
-    endif()
-    include_directories(${${FFT}_INCLUDE_DIRS})
-    list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES})
-  else()
-    add_definitions(-DFFT_KISS)
-  endif()
-  set(FFT_PACK "array" CACHE STRING "Optimization for FFT")
-  set(FFT_PACK_VALUES array pointer memcpy)
-  set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES})
-  validate_option(FFT_PACK FFT_PACK_VALUES)
-  if(NOT FFT_PACK STREQUAL "array")
-    string(TOUPPER ${FFT_PACK} FFT_PACK)
-    add_definitions(-DFFT_PACK_${FFT_PACK})
-  endif()
-endif()
 
-if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
+if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-PLUMED OR PKG_USER-QUIP OR PKG_LATTE)
   find_package(LAPACK)
   find_package(BLAS)
   if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      status(FATAL_ERROR "Cannot build internal linear algebra library with Ninja build tool due to lack for Fortran support")
+    endif()
     enable_language(Fortran)
     file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.[fF])
     add_library(linalg STATIC ${LAPACK_SOURCES})
@@ -367,21 +236,6 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
   endif()
 endif()
 
-if(PKG_PYTHON)
-  find_package(PythonInterp REQUIRED)
-  find_package(PythonLibs REQUIRED)
-  add_definitions(-DLMP_PYTHON)
-  include_directories(${PYTHON_INCLUDE_DIR})
-  list(APPEND LAMMPS_LINK_LIBS ${PYTHON_LIBRARY})
-  if(BUILD_LIB AND BUILD_SHARED_LIBS)
-    if(NOT PYTHON_INSTDIR)
-      execute_process(COMMAND ${PYTHON_EXECUTABLE}
-        -c "import distutils.sysconfig as cg; print(cg.get_python_lib(1,0,prefix='${CMAKE_INSTALL_PREFIX}'))"
-        OUTPUT_VARIABLE PYTHON_INSTDIR OUTPUT_STRIP_TRAILING_WHITESPACE)
-    endif()
-    install(FILES ${CMAKE_CURRENT_SOURCE_DIR}/../python/lammps.py DESTINATION ${PYTHON_INSTDIR})
-  endif()
-endif()
 
 find_package(JPEG QUIET)
 option(WITH_JPEG "Enable JPEG support" ${JPEG_FOUND})
@@ -437,320 +291,22 @@ else()
   set(CUDA_REQUEST_PIC)
 endif()
 
-
-if(PKG_VORONOI)
-  option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" OFF)
-  if(DOWNLOAD_VORO)
-    message(STATUS "Voro++ download requested - we will build our own")
-    include(ExternalProject)
-
-    if(BUILD_SHARED_LIBS)
-      set(VORO_BUILD_CFLAGS "${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
-    else()
-      set(VORO_BUILD_CFLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
-    endif()
-    string(APPEND VORO_BUILD_CFLAGS ${CMAKE_CXX_FLAGS})
-    set(VORO_BUILD_OPTIONS CXX=${CMAKE_CXX_COMPILER} CFLAGS=${VORO_BUILD_CFLAGS})
-
-    ExternalProject_Add(voro_build
-      URL https://download.lammps.org/thirdparty/voro++-0.4.6.tar.gz
-      URL_MD5 2338b824c3b7b25590e18e8df5d68af9
-      CONFIGURE_COMMAND "" BUILD_COMMAND make ${VORO_BUILD_OPTIONS} BUILD_IN_SOURCE 1 INSTALL_COMMAND ""
-      )
-    ExternalProject_get_property(voro_build SOURCE_DIR)
-    set(VORO_LIBRARIES ${SOURCE_DIR}/src/libvoro++.a)
-    set(VORO_INCLUDE_DIRS ${SOURCE_DIR}/src)
-    list(APPEND LAMMPS_DEPS voro_build)
-  else()
-    find_package(VORO)
-    if(NOT VORO_FOUND)
-      message(FATAL_ERROR "Voro++ library not found. Help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it")
-    endif()
-  endif()
-  include_directories(${VORO_INCLUDE_DIRS})
-  list(APPEND LAMMPS_LINK_LIBS ${VORO_LIBRARIES})
-endif()
-
-if(PKG_LATTE)
-  option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" OFF)
-  if(DOWNLOAD_LATTE)
-    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
-      message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
-    endif()
-    message(STATUS "LATTE download requested - we will build our own")
-    include(ExternalProject)
-    ExternalProject_Add(latte_build
-      URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz
-      URL_MD5 85ac414fdada2d04619c8f936344df14
-      SOURCE_SUBDIR cmake
-      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
-    )
-    ExternalProject_get_property(latte_build INSTALL_DIR)
-    set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)
-    list(APPEND LAMMPS_DEPS latte_build)
-  else()
-    find_package(LATTE)
-    if(NOT LATTE_FOUND)
-      message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")
-    endif()
-  endif()
-  list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})
-endif()
-
-if(PKG_USER-SCAFACOS)
-  find_package(GSL REQUIRED)
-  option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" OFF)
-  if(DOWNLOAD_SCAFACOS)
-    message(STATUS "ScaFaCoS download requested - we will build our own")
-    include(ExternalProject)
-    ExternalProject_Add(scafacos_build
-      URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz
-      URL_MD5 bd46d74e3296bd8a444d731bb10c1738
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --disable-doc
-                                               --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m
-                                               --with-internal-fftw --with-internal-pfft
-                                               --with-internal-pnfft ${CONFIGURE_REQUEST_PIC}
-                                               FC=${CMAKE_MPI_Fortran_COMPILER}
-                                               CXX=${CMAKE_MPI_CXX_COMPILER}
-                                               CC=${CMAKE_MPI_C_COMPILER}
-                                               F77=
-    )
-    ExternalProject_get_property(scafacos_build INSTALL_DIR)
-    set(SCAFACOS_BUILD_DIR ${INSTALL_DIR})
-    set(SCAFACOS_INCLUDE_DIRS ${SCAFACOS_BUILD_DIR}/include)
-    list(APPEND LAMMPS_DEPS scafacos_build)
-    # list and order from pkg_config file of ScaFaCoS build
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_direct.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_ewald.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fmm.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p2nfft.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p3m.a)
-    list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES})
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_near.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_gridsort.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_resort.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_redist.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_common.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pnfft.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pfft.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3_mpi.a)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3.a)
-    list(APPEND LAMMPS_LINK_LIBS ${MPI_Fortran_LIBRARIES})
-    list(APPEND LAMMPS_LINK_LIBS ${MPI_C_LIBRARIES})
-  else()
-    FIND_PACKAGE(PkgConfig REQUIRED)
-    PKG_CHECK_MODULES(SCAFACOS scafacos REQUIRED)
-    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_LDFLAGS})
-  endif()
-  include_directories(${SCAFACOS_INCLUDE_DIRS})
-endif()
-
-if(PKG_USER-PLUMED)
-  find_package(GSL REQUIRED)
-  set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
-  set(PLUMED_MODE_VALUES static shared runtime)
-  set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
-  validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
-  string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
-
-  option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" OFF)
-  if(DOWNLOAD_PLUMED)
-    message(STATUS "PLUMED download requested - we will build our own")
-    include(ExternalProject)
-    ExternalProject_Add(plumed_build
-      URL https://github.com/plumed/plumed2/releases/download/v2.4.4/plumed-src-2.4.4.tgz
-      URL_MD5 71ed465bdc7c2059e282dbda8d564e71
-      BUILD_IN_SOURCE 1
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
-                                               ${CONFIGURE_REQUEST_PIC}
-                                                --enable-modules=all
-                                               CXX=${CMAKE_MPI_CXX_COMPILER}
-                                               CC=${CMAKE_MPI_C_COMPILER}
-    )
-    ExternalProject_get_property(plumed_build INSTALL_DIR)
-    set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
-    list(APPEND LAMMPS_DEPS plumed_build)
-    if(PLUMED_MODE STREQUAL "STATIC")
-      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
-      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/plumed/obj/kernel.o
-        "${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o" ${GSL_LIBRARIES} ${CMAKE_DL_LIBS})
-    elseif(PLUMED_MODE STREQUAL "SHARED")
-      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so ${CMAKE_DL_LIBS})
-    elseif(PLUMED_MODE STREQUAL "RUNTIME")
-      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so)
-      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a -rdynamic ${CMAKE_DL_LIBS})
-    endif()
-    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
-  else()
-    find_package(PkgConfig REQUIRED)
-    pkg_check_modules(PLUMED plumed REQUIRED)
-    if(PLUMED_MODE STREQUAL "STATIC")
-      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
-      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
-    elseif(PLUMED_MODE STREQUAL "SHARED")
-      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)
-    elseif(PLUMED_MODE STREQUAL "RUNTIME")
-      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel.so)
-      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)
-    endif()
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LOAD})
-  endif()
-  include_directories(${PLUMED_INCLUDE_DIRS})
-endif()
-
-if(PKG_USER-MOLFILE)
-  add_library(molfile INTERFACE)
-  target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)
-  target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})
-  list(APPEND LAMMPS_LINK_LIBS molfile)
-endif()
-
-if(PKG_USER-NETCDF)
-  find_package(NetCDF REQUIRED)
-  include_directories(${NETCDF_INCLUDE_DIRS})
-  list(APPEND LAMMPS_LINK_LIBS ${NETCDF_LIBRARIES})
-  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)
-endif()
-
-if(PKG_USER-SMD)
-  option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" OFF)
-  if(DOWNLOAD_EIGEN3)
-    message(STATUS "Eigen3 download requested - we will build our own")
-    include(ExternalProject)
-    ExternalProject_Add(Eigen3_build
-      URL http://bitbucket.org/eigen/eigen/get/3.3.7.tar.gz
-      URL_MD5 f2a417d083fe8ca4b8ed2bc613d20f07
-      CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""
-    )
-    ExternalProject_get_property(Eigen3_build SOURCE_DIR)
-    set(EIGEN3_INCLUDE_DIR ${SOURCE_DIR})
-    list(APPEND LAMMPS_DEPS Eigen3_build)
-  else()
-    find_package(Eigen3 NO_MODULE)
-    mark_as_advanced(Eigen3_DIR)
-    if(NOT EIGEN3_FOUND)
-      message(FATAL_ERROR "Eigen3 not found, help CMake to find it by setting EIGEN3_INCLUDE_DIR, or set DOWNLOAD_EIGEN3=ON to download it")
-    endif()
-  endif()
-  include_directories(${EIGEN3_INCLUDE_DIR})
-endif()
-
-if(PKG_USER-QUIP)
-  find_package(QUIP REQUIRED)
-  list(APPEND LAMMPS_LINK_LIBS ${QUIP_LIBRARIES} ${LAPACK_LIBRARIES})
-endif()
-
-if(PKG_USER-QMMM)
-  message(WARNING "Building QMMM with CMake is still experimental")
-  find_package(QE REQUIRED)
-  include_directories(${QE_INCLUDE_DIRS})
-  list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES})
-endif()
-
-if(PKG_USER-VTK)
-  find_package(VTK REQUIRED NO_MODULE)
-  include(${VTK_USE_FILE})
-  add_definitions(-DLAMMPS_VTK)
-  list(APPEND LAMMPS_LINK_LIBS ${VTK_LIBRARIES})
-endif()
-
-if(PKG_KIM)
-  option(DOWNLOAD_KIM "Download KIM-API v1 from OpenKIM instead of using an already installed one)" OFF)
-  if(DOWNLOAD_KIM)
-    message(STATUS "KIM-API v1 download requested - we will build our own")
-    include(ExternalProject)
-    ExternalProject_Add(kim_build
-      URL https://github.com/openkim/kim-api/archive/v1.9.5.tar.gz
-      URL_MD5 9f66efc128da33039e30659f36fc6d00
-      BUILD_IN_SOURCE 1
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
-      )
-    ExternalProject_get_property(kim_build INSTALL_DIR)
-    set(KIM_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api-v1)
-    set(KIM_LIBRARIES ${INSTALL_DIR}/lib/libkim-api-v1.so)
-    list(APPEND LAMMPS_DEPS kim_build)
-  else()
-    find_package(KIM)
-    if(NOT KIM_FOUND)
-      message(FATAL_ERROR "KIM-API v1 not found, help CMake to find it by setting KIM_LIBRARY and KIM_INCLUDE_DIR, or set DOWNLOAD_KIM=ON to download it")
-    endif()
-  endif()
-  list(APPEND LAMMPS_LINK_LIBS ${KIM_LIBRARIES})
-  include_directories(${KIM_INCLUDE_DIRS})
-endif()
-
-if(PKG_MESSAGE)
-  option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF)
-  file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F
-      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c
-      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp)
-
-  add_library(cslib STATIC ${cslib_SOURCES})
-  if(BUILD_MPI)
-    target_compile_definitions(cslib PRIVATE -DMPI_YES)
-    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi")
-  else()
-    target_compile_definitions(cslib PRIVATE -DMPI_NO)
-    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi")
-  endif()
-
-  if(MESSAGE_ZMQ)
-    target_compile_definitions(cslib PRIVATE -DZMQ_YES)
-    find_package(ZMQ REQUIRED)
-    target_include_directories(cslib PRIVATE ${ZMQ_INCLUDE_DIRS})
-    target_link_libraries(cslib PUBLIC ${ZMQ_LIBRARIES})
-  else()
-    target_compile_definitions(cslib PRIVATE -DZMQ_NO)
-    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ)
-  endif()
-
-  list(APPEND LAMMPS_LINK_LIBS cslib)
-  include_directories(${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src)
-endif()
-
-if(PKG_MSCG)
-  find_package(GSL REQUIRED)
-  option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" OFF)
-  if(DOWNLOAD_MSCG)
-    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
-      message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")
-    endif()
-    include(ExternalProject)
-    if(NOT LAPACK_FOUND)
-      set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")
-    endif()
-    ExternalProject_Add(mscg_build
-      URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz
-      URL_MD5 8c45e269ee13f60b303edd7823866a91
-      SOURCE_SUBDIR src/CMake
-      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}
-      BUILD_COMMAND make mscg INSTALL_COMMAND ""
-      )
-    ExternalProject_get_property(mscg_build BINARY_DIR)
-    set(MSCG_LIBRARIES ${BINARY_DIR}/libmscg.a)
-    ExternalProject_get_property(mscg_build SOURCE_DIR)
-    set(MSCG_INCLUDE_DIRS ${SOURCE_DIR}/src)
-    list(APPEND LAMMPS_DEPS mscg_build)
-    if(NOT LAPACK_FOUND)
-      file(MAKE_DIRECTORY ${MSCG_INCLUDE_DIRS})
-      add_dependencies(mscg_build linalg)
-    endif()
-  else()
-    find_package(MSCG)
-    if(NOT MSCG_FOUND)
-      message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIRS, or set DOWNLOAD_MSCG=ON to download it")
-    endif()
-  endif()
-  list(APPEND LAMMPS_LINK_LIBS ${MSCG_LIBRARIES} ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})
-  include_directories(${MSCG_INCLUDE_DIRS})
-endif()
-
-if(PKG_COMPRESS)
-  find_package(ZLIB REQUIRED)
-  include_directories(${ZLIB_INCLUDE_DIRS})
-  list(APPEND LAMMPS_LINK_LIBS ${ZLIB_LIBRARIES})
-endif()
+include(Packages/KSPACE)
+include(Packages/PYTHON)
+include(Packages/VORONOI)
+include(Packages/USER-SCAFACOS)
+include(Packages/USER-PLUMED)
+include(Packages/USER-MOLFILE)
+include(Packages/USER-NETCDF)
+include(Packages/USER-SMD)
+include(Packages/USER-QUIP)
+include(Packages/USER-QMMM)
+include(Packages/USER-VTK)
+include(Packages/KIM)
+include(Packages/LATTE)
+include(Packages/MESSAGE)
+include(Packages/MSCG)
+include(Packages/COMPRESS)
 
 # the windows version of LAMMPS requires a couple extra libraries
 if(${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
@@ -760,7 +316,6 @@ endif()
 ########################################################################
 # Basic system tests (standard libraries, headers, functions, types)   #
 ########################################################################
-include(CheckIncludeFileCXX)
 foreach(HEADER cmath)
   check_include_file_cxx(${HEADER} FOUND_${HEADER})
   if(NOT FOUND_${HEADER})
@@ -808,6 +363,8 @@ foreach(PKG ${DEFAULT_PACKAGES})
     list(APPEND LIB_SOURCES ${${PKG}_SOURCES})
     include_directories(${${PKG}_SOURCES_DIR})
   endif()
+
+  RegisterPackages(${${PKG}_SOURCES_DIR})
 endforeach()
 
 # packages that need defines set
@@ -826,6 +383,8 @@ foreach(PKG ${ACCEL_PACKAGES})
 
   # check for package files in src directory due to old make system
   DetectBuildSystemConflict(${LAMMPS_SOURCE_DIR} ${${PKG}_SOURCES} ${${PKG}_HEADERS})
+
+  RegisterPackages(${${PKG}_SOURCES_DIR})
 endforeach()
 
 ##############################################
@@ -867,427 +426,30 @@ if(PKG_USER-ATC)
   target_link_libraries(atc ${LAPACK_LIBRARIES})
 endif()
 
-if(PKG_USER-H5MD)
-  find_package(HDF5 REQUIRED)
-  target_link_libraries(h5md ${HDF5_LIBRARIES})
-  target_include_directories(h5md PRIVATE ${HDF5_INCLUDE_DIRS})
-  include_directories(${HDF5_INCLUDE_DIRS})
-endif()
-
+include(Packages/USER-H5MD)
 
 ######################################################################
 # packages which selectively include variants based on enabled styles
 # e.g. accelerator packages
 ######################################################################
-if(PKG_CORESHELL)
-    set(CORESHELL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/CORESHELL)
-    set(CORESHELL_SOURCES)
-    set_property(GLOBAL PROPERTY "CORESHELL_SOURCES" "${CORESHELL_SOURCES}")
-
-    # detects styles which have a CORESHELL version
-    RegisterStylesExt(${CORESHELL_SOURCES_DIR} cs CORESHELL_SOURCES)
-
-    get_property(CORESHELL_SOURCES GLOBAL PROPERTY CORESHELL_SOURCES)
-
-    list(APPEND LIB_SOURCES ${CORESHELL_SOURCES})
-    include_directories(${CORESHELL_SOURCES_DIR})
-endif()
-
-# Fix qeq/fire requires MANYBODY (i.e. COMB and COMB3) to be installed
-if(PKG_QEQ)
-  set(QEQ_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/QEQ)
-  file(GLOB QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix*.h)
-  file(GLOB QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix*.cpp)
-
-  if(NOT PKG_MANYBODY)
-    list(REMOVE_ITEM QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix_qeq_fire.h)
-    list(REMOVE_ITEM QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix_qeq_fire.cpp)
-  endif()
-  set_property(GLOBAL PROPERTY "QEQ_SOURCES" "${QEQ_SOURCES}")
-
-  foreach(MY_HEADER ${QEQ_HEADERS})
-    AddStyleHeader(${MY_HEADER} FIX)
-  endforeach()
-
-  get_property(QEQ_SOURCES GLOBAL PROPERTY QEQ_SOURCES)
-  list(APPEND LIB_SOURCES ${QEQ_SOURCES})
-  include_directories(${QEQ_SOURCES_DIR})
-endif()
-
-if(PKG_USER-OMP)
-    set(USER-OMP_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-OMP)
-    set(USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/thr_data.cpp
-                         ${USER-OMP_SOURCES_DIR}/thr_omp.cpp
-                         ${USER-OMP_SOURCES_DIR}/fix_omp.cpp
-                         ${USER-OMP_SOURCES_DIR}/fix_nh_omp.cpp
-                         ${USER-OMP_SOURCES_DIR}/fix_nh_sphere_omp.cpp
-                         ${USER-OMP_SOURCES_DIR}/domain_omp.cpp)
-    add_definitions(-DLMP_USER_OMP)
-    set_property(GLOBAL PROPERTY "OMP_SOURCES" "${USER-OMP_SOURCES}")
-
-    # detects styles which have USER-OMP version
-    RegisterStylesExt(${USER-OMP_SOURCES_DIR} omp OMP_SOURCES)
-    RegisterFixStyle("${USER-OMP_SOURCES_DIR}/fix_omp.h")
-
-    get_property(USER-OMP_SOURCES GLOBAL PROPERTY OMP_SOURCES)
-
-    # manually add package dependent source files from USER-OMP that do not provide styles
-
-    if(PKG_ASPHERE)
-      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/fix_nh_asphere_omp.cpp)
-    endif()
-
-    if(PKG_RIGID)
-      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/fix_rigid_nh_omp.cpp)
-    endif()
-
-    if(PKG_USER-REAXC)
-      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/reaxc_bond_orders_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_hydrogen_bonds_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_nonbonded_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_bonds_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_init_md_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_torsion_angles_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_forces_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_multi_body_omp.cpp
-                                   ${USER-OMP_SOURCES_DIR}/reaxc_valence_angles_omp.cpp)
-    endif()
-
-    list(APPEND LIB_SOURCES ${USER-OMP_SOURCES})
-    include_directories(${USER-OMP_SOURCES_DIR})
-endif()
-
-# Fix rigid/meso requires RIGID to be installed
-if(PKG_USER-SDPD)
-  set(USER-SDPD_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-SDPD)
-
-  get_property(hlist GLOBAL PROPERTY FIX)
-  if(NOT PKG_RIGID)
-    list(REMOVE_ITEM hlist ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.h)
-    list(REMOVE_ITEM LIB_SOURCES ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.cpp)
-  endif()
-  set_property(GLOBAL PROPERTY FIX "${hlist}")
-
-  include_directories(${USER-SDPD_SOURCES_DIR})
-endif()
-
-if(PKG_KOKKOS)
-  set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
-  set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
-  add_definitions(-DLMP_KOKKOS)
-  add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
-
-  set(Kokkos_INCLUDE_DIRS ${LAMMPS_LIB_KOKKOS_SRC_DIR}/core/src
-                          ${LAMMPS_LIB_KOKKOS_SRC_DIR}/containers/src
-                          ${LAMMPS_LIB_KOKKOS_SRC_DIR}/algorithms/src
-                          ${LAMMPS_LIB_KOKKOS_BIN_DIR})
-  include_directories(${Kokkos_INCLUDE_DIRS})
-  list(APPEND LAMMPS_LINK_LIBS kokkos)
-
-  set(KOKKOS_PKG_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/KOKKOS)
-  set(KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/atom_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/atom_vec_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/comm_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/comm_tiled_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/neighbor_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/neigh_list_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/neigh_bond_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/fix_nh_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/domain_kokkos.cpp
-                         ${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
-
-  if(PKG_KSPACE)
-    list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp)
-  endif()
-
-  set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
-
-  # detects styles which have KOKKOS version
-  RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
-
-  # register kokkos-only styles
-  RegisterNBinStyle(${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.h)
-  RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.h)
-
-  if(PKG_USER-DPD)
-    get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
-    list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.cpp)
-    RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.h)
-    set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
-  endif()
-
-  get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
-
-  list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
-  include_directories(${KOKKOS_PKG_SOURCES_DIR})
-endif()
-
-if(PKG_OPT)
-    set(OPT_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/OPT)
-    set(OPT_SOURCES)
-    set_property(GLOBAL PROPERTY "OPT_SOURCES" "${OPT_SOURCES}")
-
-    # detects styles which have OPT version
-    RegisterStylesExt(${OPT_SOURCES_DIR} opt OPT_SOURCES)
-
-    get_property(OPT_SOURCES GLOBAL PROPERTY OPT_SOURCES)
-
-    list(APPEND LIB_SOURCES ${OPT_SOURCES})
-    include_directories(${OPT_SOURCES_DIR})
-endif()
-
-if(PKG_USER-INTEL)
-    find_package(TBB REQUIRED)
-    find_package(MKL REQUIRED)
-
-    if(NOT CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
-      message(FATAL_ERROR "USER-INTEL is only useful together with intel compiler")
-    endif()
-
-    if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16)
-        message(FATAL_ERROR "USER-INTEL needs at least a 2016 intel compiler, found ${CMAKE_CXX_COMPILER_VERSION}")
-    endif()
-
-    if(NOT BUILD_OMP)
-        message(FATAL_ERROR "USER-INTEL requires OpenMP")
-    endif()
-
-    if(NOT ${LAMMPS_MEMALIGN} STREQUAL "64")
-        message(FATAL_ERROR "USER-INTEL is only useful with LAMMPS_MEMALIGN=64")
-    endif()
-
-    set(INTEL_ARCH "cpu" CACHE STRING "Architectures used by USER-INTEL (cpu or knl)")
-    set(INTEL_ARCH_VALUES cpu knl)
-    set_property(CACHE INTEL_ARCH PROPERTY STRINGS ${INTEL_ARCH_VALUES})
-    validate_option(INTEL_ARCH INTEL_ARCH_VALUES)
-    string(TOUPPER ${INTEL_ARCH} INTEL_ARCH)
-
-    if(INTEL_ARCH STREQUAL "KNL")
-      set(CMAKE_EXE_LINKER_FLAGS  "${CMAKE_EXE_LINKER_FLAGS} -xHost -qopenmp -qoffload")
-      set(MIC_OPTIONS "-qoffload-option,mic,compiler,\"-fp-model fast=2 -mGLOB_default_function_attrs=\\\"gather_scatter_loop_unroll=4\\\"\"")
-      add_compile_options(-xMIC-AVX512 -qoffload -fno-alias -ansi-alias -restrict -qoverride-limits ${MIC_OPTIONS})
-      add_definitions(-DLMP_INTEL_OFFLOAD)
-    else()
-      if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.3 OR CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.4)
-        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xCOMMON-AVX512")
-      else()
-        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xHost")
-      endif()
-      include(CheckCXXCompilerFlag)
-      foreach(_FLAG -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -restrict)
-        check_cxx_compiler_flag("${__FLAG}" COMPILER_SUPPORTS${_FLAG})
-        if(COMPILER_SUPPORTS${_FLAG})
-          add_compile_options(${_FLAG})
-        endif()
-      endforeach()
-    endif()
-
-    add_definitions(-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG)
-
-    list(APPEND LAMMPS_LINK_LIBS ${TBB_MALLOC_LIBRARIES} ${MKL_LIBRARIES})
-
-    set(USER-INTEL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-INTEL)
-    set(USER-INTEL_SOURCES ${USER-INTEL_SOURCES_DIR}/intel_preprocess.h
-                           ${USER-INTEL_SOURCES_DIR}/intel_buffers.h
-                           ${USER-INTEL_SOURCES_DIR}/intel_buffers.cpp
-                           ${USER-INTEL_SOURCES_DIR}/math_extra_intel.h
-                           ${USER-INTEL_SOURCES_DIR}/nbin_intel.h
-                           ${USER-INTEL_SOURCES_DIR}/nbin_intel.cpp
-                           ${USER-INTEL_SOURCES_DIR}/npair_intel.h
-                           ${USER-INTEL_SOURCES_DIR}/npair_intel.cpp
-                           ${USER-INTEL_SOURCES_DIR}/intel_simd.h
-                           ${USER-INTEL_SOURCES_DIR}/intel_intrinsics.h)
-
-    set_property(GLOBAL PROPERTY "USER-INTEL_SOURCES" "${USER-INTEL_SOURCES}")
-
-    # detects styles which have USER-INTEL version
-    RegisterStylesExt(${USER-INTEL_SOURCES_DIR} opt USER-INTEL_SOURCES)
-
-    get_property(USER-INTEL_SOURCES GLOBAL PROPERTY USER-INTEL_SOURCES)
-
-    list(APPEND LIB_SOURCES ${USER-INTEL_SOURCES})
-    include_directories(${USER-INTEL_SOURCES_DIR})
-endif()
-
-if(PKG_GPU)
-    if (CMAKE_VERSION VERSION_LESS "3.1")
-      message(FATAL_ERROR "For the GPU package you need at least cmake-3.1")
-    endif()
-    set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU)
-    set(GPU_SOURCES ${GPU_SOURCES_DIR}/gpu_extra.h
-                    ${GPU_SOURCES_DIR}/fix_gpu.h
-                    ${GPU_SOURCES_DIR}/fix_gpu.cpp)
-
-    set(GPU_API "opencl" CACHE STRING "API used by GPU package")
-    set(GPU_API_VALUES opencl cuda)
-    set_property(CACHE GPU_API PROPERTY STRINGS ${GPU_API_VALUES})
-    validate_option(GPU_API GPU_API_VALUES)
-    string(TOUPPER ${GPU_API} GPU_API)
-
-    set(GPU_PREC "mixed" CACHE STRING "LAMMPS GPU precision")
-    set(GPU_PREC_VALUES double mixed single)
-    set_property(CACHE GPU_PREC PROPERTY STRINGS ${GPU_PREC_VALUES})
-    validate_option(GPU_PREC GPU_PREC_VALUES)
-    string(TOUPPER ${GPU_PREC} GPU_PREC)
-
-    if(GPU_PREC STREQUAL "DOUBLE")
-      set(GPU_PREC_SETTING "DOUBLE_DOUBLE")
-    elseif(GPU_PREC STREQUAL "MIXED")
-      set(GPU_PREC_SETTING "SINGLE_DOUBLE")
-    elseif(GPU_PREC STREQUAL "SINGLE")
-      set(GPU_PREC_SETTING "SINGLE_SINGLE")
-    endif()
-
-    file(GLOB GPU_LIB_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cpp)
-    file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu)
-
-    if(GPU_API STREQUAL "CUDA")
-      find_package(CUDA REQUIRED)
-      find_program(BIN2C bin2c)
-      if(NOT BIN2C)
-        message(FATAL_ERROR "Could not find bin2c, use -DBIN2C=/path/to/bin2c to help cmake finding it.")
-      endif()
-      option(CUDPP_OPT "Enable CUDPP_OPT" ON)
-
-      set(GPU_ARCH "sm_30" CACHE STRING "LAMMPS GPU CUDA SM primary architecture (e.g. sm_60)")
-
-      file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu)
-      list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu)
-
-      cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu ${LAMMPS_LIB_BINARY_DIR}/gpu)
-
-      if(CUDPP_OPT)
-        cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
-        file(GLOB GPU_LIB_CUDPP_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cpp)
-        file(GLOB GPU_LIB_CUDPP_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cu)
-      endif()
-
-      # build arch/gencode commands for nvcc based on CUDA toolkit version and use choice
-      # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture
-      set(GPU_CUDA_GENCODE "-arch=${GPU_ARCH} ")
-      # Fermi (GPU Arch 2.x) is supported by CUDA 3.2 to CUDA 8.0
-      if((CUDA_VERSION VERSION_GREATER "3.1") AND (CUDA_VERSION VERSION_LESS "9.0"))
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_20,code=[sm_20,compute_20] ")
-      endif()
-      # Kepler (GPU Arch 3.x) is supported by CUDA 5 and later
-      if(CUDA_VERSION VERSION_GREATER "4.9")
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_30,code=[sm_30,compute_30] -gencode arch=compute_35,code=[sm_35,compute_35] ")
-      endif()
-      # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later
-      if(CUDA_VERSION VERSION_GREATER "5.9")
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52] ")
-      endif()
-      # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later
-      if(CUDA_VERSION VERSION_GREATER "7.9")
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61] ")
-      endif()
-      # Volta (GPU Arch 7.0) is supported by CUDA 9 and later
-      if(CUDA_VERSION VERSION_GREATER "8.9")
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_70,code=[sm_70,compute_70] ")
-      endif()
-      # Turing (GPU Arch 7.5) is supported by CUDA 10 and later
-      if(CUDA_VERSION VERSION_GREATER "9.9")
-        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_75,code=[sm_75,compute_75] ")
-      endif()
-
-      cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
-              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
-
-      cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC}
-              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
-
-      foreach(CU_OBJ ${GPU_GEN_OBJS})
-        get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)
-        string(REGEX REPLACE "^.*_lal_" "" CU_NAME "${CU_NAME}")
-        add_custom_command(OUTPUT ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
-          COMMAND ${BIN2C} -c -n ${CU_NAME} ${CU_OBJ} > ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
-          DEPENDS ${CU_OBJ}
-          COMMENT "Generating ${CU_NAME}_cubin.h")
-        list(APPEND GPU_LIB_SOURCES ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h)
-      endforeach()
-      set_directory_properties(PROPERTIES ADDITIONAL_MAKE_CLEAN_FILES "${LAMMPS_LIB_BINARY_DIR}/gpu/*_cubin.h")
-
-
-      add_library(gpu STATIC ${GPU_LIB_SOURCES} ${GPU_LIB_CUDPP_SOURCES} ${GPU_OBJS})
-      target_link_libraries(gpu ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
-      target_include_directories(gpu PRIVATE ${LAMMPS_LIB_BINARY_DIR}/gpu ${CUDA_INCLUDE_DIRS})
-      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -DMPI_GERYON -DUCL_NO_EXIT)
-      if(CUDPP_OPT)
-        target_include_directories(gpu PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
-        target_compile_definitions(gpu PRIVATE -DUSE_CUDPP)
-      endif()
-
-      list(APPEND LAMMPS_LINK_LIBS gpu)
-
-      add_executable(nvc_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
-      target_compile_definitions(nvc_get_devices PRIVATE -DUCL_CUDADR)
-      target_link_libraries(nvc_get_devices PRIVATE ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
-      target_include_directories(nvc_get_devices PRIVATE ${CUDA_INCLUDE_DIRS})
-
-
-    elseif(GPU_API STREQUAL "OPENCL")
-      find_package(OpenCL REQUIRED)
-      set(OCL_TUNE "generic" CACHE STRING "OpenCL Device Tuning")
-      set(OCL_TUNE_VALUES intel fermi kepler cypress generic)
-      set_property(CACHE OCL_TUNE PROPERTY STRINGS ${OCL_TUNE_VALUES})
-      validate_option(OCL_TUNE OCL_TUNE_VALUES)
-      string(TOUPPER ${OCL_TUNE} OCL_TUNE)
-
-      include(OpenCLUtils)
-      set(OCL_COMMON_HEADERS ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_preprocessor.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_aux_fun1.h)
-
-      file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu)
-      list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu)
-
-      foreach(GPU_KERNEL ${GPU_LIB_CU})
-          get_filename_component(basename ${GPU_KERNEL} NAME_WE)
-          string(SUBSTRING ${basename} 4 -1 KERNEL_NAME)
-          GenerateOpenCLHeader(${KERNEL_NAME} ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h ${OCL_COMMON_HEADERS} ${GPU_KERNEL})
-          list(APPEND GPU_LIB_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h)
-      endforeach()
-
-      GenerateOpenCLHeader(gayberne ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu)
-      GenerateOpenCLHeader(gayberne_lj ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu)
-      list(APPEND GPU_LIB_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h)
-
-      add_library(gpu STATIC ${GPU_LIB_SOURCES})
-      target_link_libraries(gpu ${OpenCL_LIBRARIES})
-      target_include_directories(gpu PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/gpu ${OpenCL_INCLUDE_DIRS})
-      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -D${OCL_TUNE}_OCL -DMPI_GERYON -DUCL_NO_EXIT)
-      target_compile_definitions(gpu PRIVATE -DUSE_OPENCL)
-
-      list(APPEND LAMMPS_LINK_LIBS gpu)
-
-      add_executable(ocl_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
-      target_compile_definitions(ocl_get_devices PRIVATE -DUCL_OPENCL)
-      target_link_libraries(ocl_get_devices PRIVATE ${OpenCL_LIBRARIES})
-      target_include_directories(ocl_get_devices PRIVATE ${OpenCL_INCLUDE_DIRS})
-    endif()
-
-    # GPU package
-    FindStyleHeaders(${GPU_SOURCES_DIR} FIX_CLASS fix_ FIX)
-
-    set_property(GLOBAL PROPERTY "GPU_SOURCES" "${GPU_SOURCES}")
-
-    # detects styles which have GPU version
-    RegisterStylesExt(${GPU_SOURCES_DIR} gpu GPU_SOURCES)
-
-    get_property(GPU_SOURCES GLOBAL PROPERTY GPU_SOURCES)
-
-    list(APPEND LIB_SOURCES ${GPU_SOURCES})
-    include_directories(${GPU_SOURCES_DIR})
-endif()
+include(Packages/CORESHELL)
+include(Packages/QEQ)
+include(Packages/USER-OMP)
+include(Packages/USER-SDPD)
+include(Packages/KOKKOS)
+include(Packages/OPT)
+include(Packages/USER-INTEL)
+include(Packages/GPU)
 
 ######################################################
 # Generate style headers based on global list of
 # styles registered during package selection
+# Generate packages headers from all packages
 ######################################################
 set(LAMMPS_STYLE_HEADERS_DIR ${CMAKE_CURRENT_BINARY_DIR}/styles)
 
 GenerateStyleHeaders(${LAMMPS_STYLE_HEADERS_DIR})
+GeneratePackagesHeaders(${LAMMPS_STYLE_HEADERS_DIR})
 
 include_directories(${LAMMPS_STYLE_HEADERS_DIR})
 
@@ -1296,7 +458,7 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
 ######################################
 set(temp "#ifndef LMP_INSTALLED_PKGS_H\n#define LMP_INSTALLED_PKGS_H\n")
 set(temp "${temp}const char * LAMMPS_NS::LAMMPS::installed_packages[] =  {\n")
-set(temp_PKG_LIST ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
+set(temp_PKG_LIST ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES})
 list(SORT temp_PKG_LIST)
 foreach(PKG ${temp_PKG_LIST})
     if(PKG_${PKG})
@@ -1308,6 +470,18 @@ message(STATUS "Generating lmpinstalledpkgs.h...")
 file(WRITE "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h.tmp" "${temp}" )
 execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h.tmp" "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h")
 
+######################################
+# Generate lmpgitversion.h
+######################################
+add_custom_target(gitversion COMMAND ${CMAKE_COMMAND}
+  -DCMAKE_CURRENT_SOURCE_DIR="${CMAKE_CURRENT_SOURCE_DIR}"
+  -DGIT_EXECUTABLE="${GIT_EXECUTABLE}"
+  -DGIT_FOUND="${GIT_FOUND}"
+  -DLAMMPS_STYLE_HEADERS_DIR="${LAMMPS_STYLE_HEADERS_DIR}"
+  -P ${CMAKE_CURRENT_SOURCE_DIR}/Modules/generate_lmpgitversion.cmake)
+set_property(DIRECTORY APPEND PROPERTY ADDITIONAL_MAKE_CLEAN_FILES ${LAMMPS_STYLE_HEADERS_DIR}/gitversion.h)
+list(APPEND LAMMPS_DEPS gitversion)
+
 ###########################################
 # Actually add executable and lib to build
 ############################################
@@ -1349,76 +523,39 @@ if(BUILD_EXE)
   set_target_properties(lmp PROPERTIES OUTPUT_NAME ${LAMMPS_BINARY})
   install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
   install(FILES ${LAMMPS_DOC_DIR}/lammps.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1 RENAME ${LAMMPS_BINARY}.1)
-  if(ENABLE_TESTING)
-    add_test(ShowHelp ${LAMMPS_BINARY} -help)
-  endif()
 endif()
 
-###############################################################################
-# Build documentation
-###############################################################################
-option(BUILD_DOC "Build LAMMPS documentation" OFF)
-if(BUILD_DOC)
-  include(ProcessorCount)
-  ProcessorCount(NPROCS)
-  find_package(PythonInterp 3 REQUIRED)
-
-  set(VIRTUALENV ${PYTHON_EXECUTABLE} -m virtualenv)
-
-  file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.txt)
-  file(GLOB PDF_EXTRA_SOURCES ${LAMMPS_DOC_DIR}/src/lammps_commands*.txt ${LAMMPS_DOC_DIR}/src/lammps_support.txt ${LAMMPS_DOC_DIR}/src/lammps_tutorials.txt)
-  list(REMOVE_ITEM DOC_SOURCES ${PDF_EXTRA_SOURCES})
-
-  add_custom_command(
-    OUTPUT docenv
-    COMMAND ${VIRTUALENV} docenv
-  )
-
-  set(DOCENV_BINARY_DIR ${CMAKE_BINARY_DIR}/docenv/bin)
-
-  add_custom_command(
-    OUTPUT requirements.txt
-    DEPENDS docenv
-    COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt
-    COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade
-    COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters
-  )
-
-  set(RST_FILES "")
-  set(RST_DIR ${CMAKE_BINARY_DIR}/rst)
-  file(MAKE_DIRECTORY ${RST_DIR})
-  foreach(TXT_FILE ${DOC_SOURCES})
-    get_filename_component(FILENAME ${TXT_FILE} NAME_WE)
-    set(RST_FILE ${RST_DIR}/${FILENAME}.rst)
-    list(APPEND RST_FILES ${RST_FILE})
-    add_custom_command(
-      OUTPUT ${RST_FILE}
-      DEPENDS requirements.txt docenv ${TXT_FILE}
-      COMMAND ${DOCENV_BINARY_DIR}/txt2rst -o ${RST_DIR} ${TXT_FILE}
-    )
-  endforeach()
-
-  add_custom_command(
-    OUTPUT html
-    DEPENDS ${RST_FILES}
-    COMMAND ${CMAKE_COMMAND} -E copy_directory ${LAMMPS_DOC_DIR}/src ${RST_DIR}
-    COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${RST_DIR} html
-  )
+if(BUILD_TOOLS)
+  add_executable(binary2txt ${LAMMPS_TOOLS_DIR}/binary2txt.cpp)
+  install(TARGETS binary2txt DESTINATION ${CMAKE_INSTALL_BINDIR})
 
-  add_custom_target(
-    doc ALL
-    DEPENDS html
-    SOURCES ${LAMMPS_DOC_DIR}/utils/requirements.txt ${DOC_SOURCES}
-  )
+  # ninja-build currently does not support fortran. thus we skip building this tool
+  if(NOT CMAKE_GENERATOR STREQUAL "Ninja")
+    message(STATUS "Skipping building 'chain.x' with Ninja build tool due to lack of Fortran support")
+    enable_language(Fortran)
+    add_executable(chain.x ${LAMMPS_TOOLS_DIR}/chain.f)
+    target_link_libraries(chain.x ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
+  endif()
 
-  install(DIRECTORY ${CMAKE_BINARY_DIR}/html DESTINATION ${CMAKE_INSTALL_DOCDIR})
+  enable_language(C)
+  get_filename_component(MSI2LMP_SOURCE_DIR ${LAMMPS_TOOLS_DIR}/msi2lmp/src ABSOLUTE)
+  file(GLOB MSI2LMP_SOURCES ${MSI2LMP_SOURCE_DIR}/[^.]*.c)
+  add_executable(msi2lmp ${MSI2LMP_SOURCES})
+  target_link_libraries(msi2lmp m)
+  install(TARGETS msi2lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
+  install(FILES ${LAMMPS_DOC_DIR}/msi2lmp.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 endif()
 
+include(Documentation)
+
 ###############################################################################
-# Install potential files in data directory
+# Install potential and force field files in data directory
 ###############################################################################
-set(LAMMPS_POTENTIALS_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/potentials)
-install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../potentials/ DESTINATION ${LAMMPS_POTENTIALS_DIR})
+set(LAMMPS_INSTALL_POTENTIALS_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/potentials)
+install(DIRECTORY ${LAMMPS_POTENTIALS_DIR} DESTINATION ${LAMMPS_INSTALL_POTENTIALS_DIR})
+
+set(LAMMPS_INSTALL_FRC_FILES_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/frc_files)
+install(DIRECTORY ${LAMMPS_TOOLS_DIR}/msi2lmp/frc_files/ DESTINATION ${LAMMPS_INSTALL_FRC_FILES_DIR})
 
 configure_file(etc/profile.d/lammps.sh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.sh @ONLY)
 configure_file(etc/profile.d/lammps.csh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh @ONLY)
@@ -1429,38 +566,55 @@ install(
 )
 
 ###############################################################################
-# Testing
-#
-# Requires latest gcovr (for GCC 8.1 support):#
-# pip install git+https://github.com/gcovr/gcovr.git
+# Install LAMMPS lib and python module into site-packages folder with
+# "install-python" target.  Behaves exactly like "make install-python" for
+# conventional build.  Only available, if a shared library is built.
+# This is primarily for people that only want to use the Python wrapper.
 ###############################################################################
-if(ENABLE_COVERAGE)
-    find_program(GCOVR_BINARY gcovr)
-    find_package_handle_standard_args(GCOVR DEFAULT_MSG GCOVR_BINARY)
-
-    if(GCOVR_FOUND)
-        get_filename_component(ABSOLUTE_LAMMPS_SOURCE_DIR ${LAMMPS_SOURCE_DIR} ABSOLUTE)
-
-        add_custom_target(
-            gen_coverage_xml
-            COMMAND ${GCOVR_BINARY} -s -x -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.xml
-            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
-            COMMENT "Generating XML Coverage Report..."
-        )
-
-        add_custom_target(
-            gen_coverage_html
-            COMMAND ${GCOVR_BINARY} -s  --html --html-details -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.html
-            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
-            COMMENT "Generating HTML Coverage Report..."
-        )
-    endif()
+if(BUILD_LIB AND BUILD_SHARED_LIBS)
+  find_package(PythonInterp)
+  if (PYTHONINTERP_FOUND)
+    add_custom_target(
+      install-python
+      ${PYTHON_EXECUTABLE} install.py -v ${LAMMPS_SOURCE_DIR}/version.h
+      -m ${LAMMPS_PYTHON_DIR}/lammps.py
+      -l ${CMAKE_BINARY_DIR}/liblammps${CMAKE_SHARED_LIBRARY_SUFFIX}
+      WORKING_DIRECTORY  ${LAMMPS_PYTHON_DIR}
+      COMMENT "Installing LAMMPS Python module")
+  else()
+    add_custom_target(
+      install-python
+      ${CMAKE_COMMAND} -E echo "Must have Python installed to install the LAMMPS Python module")
+  endif()
+else()
+  add_custom_target(
+    install-python
+    ${CMAKE_COMMAND} -E echo "Must build LAMMPS as a shared library to use the Python module")
 endif()
 
+###############################################################################
+# Add LAMMPS python module to "install" target. This is taylored for building
+# LAMMPS for package managers and with different prefix settings.
+# This requires either a shared library or that the PYTHON package is included.
+###############################################################################
+if((BUILD_LIB AND BUILD_SHARED_LIBS) OR (PKG_PYTHON))
+  find_package(PythonInterp)
+  if (PYTHONINTERP_FOUND)
+    execute_process(COMMAND ${PYTHON_EXECUTABLE}
+      -c "import distutils.sysconfig as cg; print(cg.get_python_lib(1,0,prefix='${CMAKE_INSTALL_PREFIX}'))"
+      OUTPUT_VARIABLE PYTHON_DEFAULT_INSTDIR OUTPUT_STRIP_TRAILING_WHITESPACE)
+    set(PYTHON_INSTDIR ${PYTHON_DEFAULT_INSTDIR} CACHE PATH "Installation folder for LAMMPS Python module")
+    install(FILES ${LAMMPS_PYTHON_DIR}/lammps.py DESTINATION ${PYTHON_INSTDIR})
+  endif()
+endif()
+
+include(Testing)
+include(CodeCoverage)
+
 ###############################################################################
 # Print package summary
 ###############################################################################
-foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
+foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES})
   if(PKG_${PKG})
     message(STATUS "Building package: ${PKG}")
   endif()
diff --git a/cmake/Modules/CodeCoverage.cmake b/cmake/Modules/CodeCoverage.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..d018db43d98aebcd934e0e77c0ed092a554b603d
--- /dev/null
+++ b/cmake/Modules/CodeCoverage.cmake
@@ -0,0 +1,28 @@
+###############################################################################
+# Coverage
+#
+# Requires latest gcovr (for GCC 8.1 support):#
+# pip install git+https://github.com/gcovr/gcovr.git
+###############################################################################
+if(ENABLE_COVERAGE)
+    find_program(GCOVR_BINARY gcovr)
+    find_package_handle_standard_args(GCOVR DEFAULT_MSG GCOVR_BINARY)
+
+    if(GCOVR_FOUND)
+        get_filename_component(ABSOLUTE_LAMMPS_SOURCE_DIR ${LAMMPS_SOURCE_DIR} ABSOLUTE)
+
+        add_custom_target(
+            gen_coverage_xml
+            COMMAND ${GCOVR_BINARY} -s -x -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.xml
+            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
+            COMMENT "Generating XML Coverage Report..."
+        )
+
+        add_custom_target(
+            gen_coverage_html
+            COMMAND ${GCOVR_BINARY} -s  --html --html-details -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.html
+            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
+            COMMENT "Generating HTML Coverage Report..."
+        )
+    endif()
+endif()
diff --git a/cmake/Modules/Documentation.cmake b/cmake/Modules/Documentation.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..99f570820ad439eb71448c24241efca83cc50624
--- /dev/null
+++ b/cmake/Modules/Documentation.cmake
@@ -0,0 +1,59 @@
+###############################################################################
+# Build documentation
+###############################################################################
+option(BUILD_DOC "Build LAMMPS documentation" OFF)
+if(BUILD_DOC)
+  include(ProcessorCount)
+  ProcessorCount(NPROCS)
+  find_package(PythonInterp 3 REQUIRED)
+
+  set(VIRTUALENV ${PYTHON_EXECUTABLE} -m virtualenv)
+
+  file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.txt)
+  file(GLOB PDF_EXTRA_SOURCES ${LAMMPS_DOC_DIR}/src/lammps_commands*.txt ${LAMMPS_DOC_DIR}/src/lammps_support.txt ${LAMMPS_DOC_DIR}/src/lammps_tutorials.txt)
+  list(REMOVE_ITEM DOC_SOURCES ${PDF_EXTRA_SOURCES})
+
+  add_custom_command(
+    OUTPUT docenv
+    COMMAND ${VIRTUALENV} docenv
+  )
+
+  set(DOCENV_BINARY_DIR ${CMAKE_BINARY_DIR}/docenv/bin)
+
+  add_custom_command(
+    OUTPUT requirements.txt
+    DEPENDS docenv
+    COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt
+    COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade
+    COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters
+  )
+
+  set(RST_FILES "")
+  set(RST_DIR ${CMAKE_BINARY_DIR}/rst)
+  file(MAKE_DIRECTORY ${RST_DIR})
+  foreach(TXT_FILE ${DOC_SOURCES})
+    get_filename_component(FILENAME ${TXT_FILE} NAME_WE)
+    set(RST_FILE ${RST_DIR}/${FILENAME}.rst)
+    list(APPEND RST_FILES ${RST_FILE})
+    add_custom_command(
+      OUTPUT ${RST_FILE}
+      DEPENDS requirements.txt docenv ${TXT_FILE}
+      COMMAND ${DOCENV_BINARY_DIR}/txt2rst -o ${RST_DIR} ${TXT_FILE}
+    )
+  endforeach()
+
+  add_custom_command(
+    OUTPUT html
+    DEPENDS ${RST_FILES}
+    COMMAND ${CMAKE_COMMAND} -E copy_directory ${LAMMPS_DOC_DIR}/src ${RST_DIR}
+    COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${RST_DIR} html
+  )
+
+  add_custom_target(
+    doc ALL
+    DEPENDS html
+    SOURCES ${LAMMPS_DOC_DIR}/utils/requirements.txt ${DOC_SOURCES}
+  )
+
+  install(DIRECTORY ${CMAKE_BINARY_DIR}/html DESTINATION ${CMAKE_INSTALL_DOCDIR})
+endif()
diff --git a/cmake/Modules/FindKIM-API.cmake b/cmake/Modules/FindKIM-API.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..5108b0f98c42acfc2a3fcec2a4fc7e557470148c
--- /dev/null
+++ b/cmake/Modules/FindKIM-API.cmake
@@ -0,0 +1,59 @@
+#
+# CDDL HEADER START
+#
+# The contents of this file are subject to the terms of the Common Development
+# and Distribution License Version 1.0 (the "License").
+#
+# You can obtain a copy of the license at
+# http://www.opensource.org/licenses/CDDL-1.0.  See the License for the
+# specific language governing permissions and limitations under the License.
+#
+# When distributing Covered Code, include this CDDL HEADER in each file and
+# include the License file in a prominent location with the name LICENSE.CDDL.
+# If applicable, add the following below this CDDL HEADER, with the fields
+# enclosed by brackets "[]" replaced with your own identifying information:
+#
+# Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
+#
+# CDDL HEADER END
+#
+
+#
+# Copyright (c) 2013--2019, Regents of the University of Minnesota.
+# All rights reserved.
+#
+# Contributors:
+#    Richard Berger
+#    Christoph Junghans
+#    Ryan S. Elliott
+#
+
+# - Find KIM-API
+#
+# sets standard pkg_check_modules variables plus:
+#
+# KIM-API-CMAKE_C_COMPILER
+# KIM-API-CMAKE_CXX_COMPILER
+# KIM-API-CMAKE_Fortran_COMPILER
+#
+
+if(KIM-API_FIND_QUIETLY)
+  set(REQ_OR_QUI "QUIET")
+else()
+  set(REQ_OR_QUI "REQUIRED")
+endif()
+
+find_package(PkgConfig ${REQ_OR_QUI})
+include(FindPackageHandleStandardArgs)
+
+pkg_check_modules(KIM-API ${REQ_OR_QUI} libkim-api>=2.0)
+
+if(KIM-API_FOUND)
+  pkg_get_variable(KIM-API-CMAKE_C_COMPILER libkim-api CMAKE_C_COMPILER)
+  pkg_get_variable(KIM-API-CMAKE_CXX_COMPILER libkim-api CMAKE_CXX_COMPILER)
+  pkg_get_variable(KIM-API_CMAKE_Fortran_COMPILER libkim-api CMAKE_Fortran_COMPILER)
+endif()
+
+# handle the QUIETLY and REQUIRED arguments and set KIM-API_FOUND to TRUE
+# if all listed variables are TRUE
+find_package_handle_standard_args(KIM-API REQUIRED_VARS KIM-API_LIBRARIES)
diff --git a/cmake/Modules/FindKIM.cmake b/cmake/Modules/FindKIM.cmake
deleted file mode 100644
index a01f817cf67a1314d5e49e96718298f78842cda4..0000000000000000000000000000000000000000
--- a/cmake/Modules/FindKIM.cmake
+++ /dev/null
@@ -1,22 +0,0 @@
-# - Find kim
-# Find the native KIM headers and libraries.
-#
-#  KIM_INCLUDE_DIRS - where to find kim.h, etc.
-#  KIM_LIBRARIES    - List of libraries when using kim.
-#  KIM_FOUND        - True if kim found.
-#
-
-find_path(KIM_INCLUDE_DIR KIM_API.h PATH_SUFFIXES kim-api-v1)
-
-find_library(KIM_LIBRARY NAMES kim-api-v1)
-
-set(KIM_LIBRARIES ${KIM_LIBRARY})
-set(KIM_INCLUDE_DIRS ${KIM_INCLUDE_DIR})
-
-include(FindPackageHandleStandardArgs)
-# handle the QUIETLY and REQUIRED arguments and set KIM_FOUND to TRUE
-# if all listed variables are TRUE
-
-find_package_handle_standard_args(KIM DEFAULT_MSG KIM_LIBRARY KIM_INCLUDE_DIR)
-
-mark_as_advanced(KIM_INCLUDE_DIR KIM_LIBRARY )
diff --git a/cmake/Modules/LAMMPSUtils.cmake b/cmake/Modules/LAMMPSUtils.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..3ea2b3cb7ec977175d026672c1a03f386fc86e61
--- /dev/null
+++ b/cmake/Modules/LAMMPSUtils.cmake
@@ -0,0 +1,71 @@
+# Utility functions
+function(list_to_bulletpoints result)
+    list(REMOVE_AT ARGV 0)
+    set(temp "")
+    foreach(item ${ARGV})
+        set(temp "${temp}* ${item}\n")
+    endforeach()
+    set(${result} "${temp}" PARENT_SCOPE)
+endfunction(list_to_bulletpoints)
+
+function(validate_option name values)
+    string(TOLOWER ${${name}} needle_lower)
+    string(TOUPPER ${${name}} needle_upper)
+    list(FIND ${values} ${needle_lower} IDX_LOWER)
+    list(FIND ${values} ${needle_upper} IDX_UPPER)
+    if(${IDX_LOWER} LESS 0 AND ${IDX_UPPER} LESS 0)
+        list_to_bulletpoints(POSSIBLE_VALUE_LIST ${${values}})
+        message(FATAL_ERROR "\n########################################################################\n"
+                            "Invalid value '${${name}}' for option ${name}\n"
+                            "\n"
+                            "Possible values are:\n"
+                            "${POSSIBLE_VALUE_LIST}"
+                            "########################################################################")
+    endif()
+endfunction(validate_option)
+
+function(get_lammps_version version_header variable)
+    file(READ ${version_header} line)
+    set(MONTHS x Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec)
+    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\1" day "${line}")
+    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\2" month "${line}")
+    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\3" year "${line}")
+    string(STRIP ${day} day)
+    string(STRIP ${month} month)
+    string(STRIP ${year} year)
+    list(FIND MONTHS "${month}" month)
+    string(LENGTH ${day} day_length)
+    string(LENGTH ${month} month_length)
+    if(day_length EQUAL 1)
+        set(day "0${day}")
+    endif()
+    if(month_length EQUAL 1)
+        set(month "0${month}")
+    endif()
+    set(${variable} "${year}${month}${day}" PARENT_SCOPE)
+endfunction()
+
+function(check_for_autogen_files source_dir)
+    message(STATUS "Running check for auto-generated files from make-based build system")
+    file(GLOB SRC_AUTOGEN_FILES ${source_dir}/style_*.h)
+    file(GLOB SRC_AUTOGEN_PACKAGES ${source_dir}/packages_*.h)
+    list(APPEND SRC_AUTOGEN_FILES ${SRC_AUTOGEN_PACKAGES} ${source_dir}/lmpinstalledpkgs.h ${source_dir}/lmpgitversion.h)
+    foreach(_SRC ${SRC_AUTOGEN_FILES})
+      get_filename_component(FILENAME "${_SRC}" NAME)
+      if(EXISTS ${source_dir}/${FILENAME})
+        message(FATAL_ERROR "\n########################################################################\n"
+                              "Found header file(s) generated by the make-based build system\n"
+                              "\n"
+                              "Please run\n"
+                              "make -C ${source_dir} purge\n"
+                              "to remove\n"
+                              "########################################################################")
+      endif()
+    endforeach()
+endfunction()
+
+macro(pkg_depends PKG1 PKG2)
+  if(PKG_${PKG1} AND NOT (PKG_${PKG2} OR BUILD_${PKG2}))
+    message(FATAL_ERROR "${PKG1} package needs LAMMPS to be build with ${PKG2}")
+  endif()
+endmacro()
diff --git a/cmake/Modules/OpenCLUtils.cmake b/cmake/Modules/OpenCLUtils.cmake
index 5c147a685cfee925796d48a22d0be2cbe1a99020..a9441ce518497e4ba34383ad7a77f1ebd5bc903b 100644
--- a/cmake/Modules/OpenCLUtils.cmake
+++ b/cmake/Modules/OpenCLUtils.cmake
@@ -6,7 +6,7 @@ function(GenerateOpenCLHeader varname outfile files)
     foreach(IDX RANGE 2 ${ARG_END})
         list(GET ARGV ${IDX} filename)
         file(READ ${filename} content)
-        string(REGEX REPLACE "\\s*//[^\n]*\n" "" content "${content}")
+        string(REGEX REPLACE "\\s*//[^\n]*\n" "\n" content "${content}")
         string(REGEX REPLACE "\\\\" "\\\\\\\\" content "${content}")
         string(REGEX REPLACE "\"" "\\\\\"" content "${content}")
         string(REGEX REPLACE "([^\n]+)\n" "\"\\1\\\\n\"\n" content "${content}")
diff --git a/cmake/Modules/Packages/COMPRESS.cmake b/cmake/Modules/Packages/COMPRESS.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..864b868865f531ebcce5374bceed2612fb37d391
--- /dev/null
+++ b/cmake/Modules/Packages/COMPRESS.cmake
@@ -0,0 +1,5 @@
+if(PKG_COMPRESS)
+  find_package(ZLIB REQUIRED)
+  include_directories(${ZLIB_INCLUDE_DIRS})
+  list(APPEND LAMMPS_LINK_LIBS ${ZLIB_LIBRARIES})
+endif()
diff --git a/cmake/Modules/Packages/CORESHELL.cmake b/cmake/Modules/Packages/CORESHELL.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..591477c89948c3d34f975e8cdf65181b96af9171
--- /dev/null
+++ b/cmake/Modules/Packages/CORESHELL.cmake
@@ -0,0 +1,13 @@
+if(PKG_CORESHELL)
+    set(CORESHELL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/CORESHELL)
+    set(CORESHELL_SOURCES)
+    set_property(GLOBAL PROPERTY "CORESHELL_SOURCES" "${CORESHELL_SOURCES}")
+
+    # detects styles which have a CORESHELL version
+    RegisterStylesExt(${CORESHELL_SOURCES_DIR} cs CORESHELL_SOURCES)
+
+    get_property(CORESHELL_SOURCES GLOBAL PROPERTY CORESHELL_SOURCES)
+
+    list(APPEND LIB_SOURCES ${CORESHELL_SOURCES})
+    include_directories(${CORESHELL_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/GPU.cmake b/cmake/Modules/Packages/GPU.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..dab9d51a3f9eb823f09c05ac438546c64f05e9f1
--- /dev/null
+++ b/cmake/Modules/Packages/GPU.cmake
@@ -0,0 +1,194 @@
+if(PKG_GPU)
+    if (CMAKE_VERSION VERSION_LESS "3.1")
+      message(FATAL_ERROR "For the GPU package you need at least cmake-3.1")
+    endif()
+    set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU)
+    set(GPU_SOURCES ${GPU_SOURCES_DIR}/gpu_extra.h
+                    ${GPU_SOURCES_DIR}/fix_gpu.h
+                    ${GPU_SOURCES_DIR}/fix_gpu.cpp)
+
+    set(GPU_API "opencl" CACHE STRING "API used by GPU package")
+    set(GPU_API_VALUES opencl cuda)
+    set_property(CACHE GPU_API PROPERTY STRINGS ${GPU_API_VALUES})
+    validate_option(GPU_API GPU_API_VALUES)
+    string(TOUPPER ${GPU_API} GPU_API)
+
+    set(GPU_PREC "mixed" CACHE STRING "LAMMPS GPU precision")
+    set(GPU_PREC_VALUES double mixed single)
+    set_property(CACHE GPU_PREC PROPERTY STRINGS ${GPU_PREC_VALUES})
+    validate_option(GPU_PREC GPU_PREC_VALUES)
+    string(TOUPPER ${GPU_PREC} GPU_PREC)
+
+    if(GPU_PREC STREQUAL "DOUBLE")
+      set(GPU_PREC_SETTING "DOUBLE_DOUBLE")
+    elseif(GPU_PREC STREQUAL "MIXED")
+      set(GPU_PREC_SETTING "SINGLE_DOUBLE")
+    elseif(GPU_PREC STREQUAL "SINGLE")
+      set(GPU_PREC_SETTING "SINGLE_SINGLE")
+    endif()
+
+    file(GLOB GPU_LIB_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cpp)
+    file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu)
+
+    if(GPU_API STREQUAL "CUDA")
+      find_package(CUDA REQUIRED)
+      find_program(BIN2C bin2c)
+      if(NOT BIN2C)
+        message(FATAL_ERROR "Could not find bin2c, use -DBIN2C=/path/to/bin2c to help cmake finding it.")
+      endif()
+      option(CUDPP_OPT "Enable CUDPP_OPT" ON)
+      option(CUDA_MPS_SUPPORT "Enable tweaks to support CUDA Multi-process service (MPS)" OFF)
+      if(CUDA_MPS_SUPPORT)
+        set(GPU_CUDA_MPS_FLAGS "-DCUDA_PROXY")
+      endif()
+
+      set(GPU_ARCH "sm_30" CACHE STRING "LAMMPS GPU CUDA SM primary architecture (e.g. sm_60)")
+
+      file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu)
+      list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu)
+
+      cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu ${LAMMPS_LIB_BINARY_DIR}/gpu)
+
+      if(CUDPP_OPT)
+        cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
+        file(GLOB GPU_LIB_CUDPP_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cpp)
+        file(GLOB GPU_LIB_CUDPP_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cu)
+      endif()
+
+      # build arch/gencode commands for nvcc based on CUDA toolkit version and use choice
+      # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture
+      set(GPU_CUDA_GENCODE "-arch=${GPU_ARCH} ")
+      # Fermi (GPU Arch 2.x) is supported by CUDA 3.2 to CUDA 8.0
+      if((CUDA_VERSION VERSION_GREATER "3.1") AND (CUDA_VERSION VERSION_LESS "9.0"))
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_20,code=[sm_20,compute_20] ")
+      endif()
+      # Kepler (GPU Arch 3.x) is supported by CUDA 5 and later
+      if(CUDA_VERSION VERSION_GREATER "4.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_30,code=[sm_30,compute_30] -gencode arch=compute_35,code=[sm_35,compute_35] ")
+      endif()
+      # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later
+      if(CUDA_VERSION VERSION_GREATER "5.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52] ")
+      endif()
+      # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later
+      if(CUDA_VERSION VERSION_GREATER "7.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61] ")
+      endif()
+      # Volta (GPU Arch 7.0) is supported by CUDA 9 and later
+      if(CUDA_VERSION VERSION_GREATER "8.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_70,code=[sm_70,compute_70] ")
+      endif()
+      # Turing (GPU Arch 7.5) is supported by CUDA 10 and later
+      if(CUDA_VERSION VERSION_GREATER "9.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_75,code=[sm_75,compute_75] ")
+      endif()
+
+      cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
+              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+
+      cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC}
+              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+
+      foreach(CU_OBJ ${GPU_GEN_OBJS})
+        get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)
+        string(REGEX REPLACE "^.*_lal_" "" CU_NAME "${CU_NAME}")
+        add_custom_command(OUTPUT ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
+          COMMAND ${BIN2C} -c -n ${CU_NAME} ${CU_OBJ} > ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
+          DEPENDS ${CU_OBJ}
+          COMMENT "Generating ${CU_NAME}_cubin.h")
+        list(APPEND GPU_LIB_SOURCES ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h)
+      endforeach()
+      set_directory_properties(PROPERTIES ADDITIONAL_MAKE_CLEAN_FILES "${LAMMPS_LIB_BINARY_DIR}/gpu/*_cubin.h")
+
+
+      add_library(gpu STATIC ${GPU_LIB_SOURCES} ${GPU_LIB_CUDPP_SOURCES} ${GPU_OBJS})
+      target_link_libraries(gpu ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
+      target_include_directories(gpu PRIVATE ${LAMMPS_LIB_BINARY_DIR}/gpu ${CUDA_INCLUDE_DIRS})
+      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -DMPI_GERYON -DUCL_NO_EXIT ${GPU_CUDA_MPS_FLAGS})
+      if(CUDPP_OPT)
+        target_include_directories(gpu PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
+        target_compile_definitions(gpu PRIVATE -DUSE_CUDPP)
+      endif()
+
+      list(APPEND LAMMPS_LINK_LIBS gpu)
+
+      add_executable(nvc_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
+      target_compile_definitions(nvc_get_devices PRIVATE -DUCL_CUDADR)
+      target_link_libraries(nvc_get_devices PRIVATE ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
+      target_include_directories(nvc_get_devices PRIVATE ${CUDA_INCLUDE_DIRS})
+
+
+    elseif(GPU_API STREQUAL "OPENCL")
+      find_package(OpenCL REQUIRED)
+      set(OCL_TUNE "generic" CACHE STRING "OpenCL Device Tuning")
+      set(OCL_TUNE_VALUES intel fermi kepler cypress generic)
+      set_property(CACHE OCL_TUNE PROPERTY STRINGS ${OCL_TUNE_VALUES})
+      validate_option(OCL_TUNE OCL_TUNE_VALUES)
+      string(TOUPPER ${OCL_TUNE} OCL_TUNE)
+
+      include(OpenCLUtils)
+      set(OCL_COMMON_HEADERS ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_preprocessor.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_aux_fun1.h)
+
+      file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu)
+      list(REMOVE_ITEM GPU_LIB_CU
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_re_squared.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_re_squared_lj.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_zbl.cu
+        ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_mod.cu
+      )
+
+      foreach(GPU_KERNEL ${GPU_LIB_CU})
+          get_filename_component(basename ${GPU_KERNEL} NAME_WE)
+          string(SUBSTRING ${basename} 4 -1 KERNEL_NAME)
+          GenerateOpenCLHeader(${KERNEL_NAME} ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h ${OCL_COMMON_HEADERS} ${GPU_KERNEL})
+          list(APPEND GPU_LIB_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h)
+      endforeach()
+
+      GenerateOpenCLHeader(gayberne ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu)
+      GenerateOpenCLHeader(gayberne_lj ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu)
+      GenerateOpenCLHeader(re_squared ${CMAKE_CURRENT_BINARY_DIR}/gpu/re_squared_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_re_squared.cu)
+      GenerateOpenCLHeader(re_squared_lj ${CMAKE_CURRENT_BINARY_DIR}/gpu/re_squared_lj_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_re_squared_lj.cu)
+      GenerateOpenCLHeader(tersoff ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff.cu)
+      GenerateOpenCLHeader(tersoff_zbl ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_zbl_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_zbl_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_zbl.cu)
+      GenerateOpenCLHeader(tersoff_mod ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_mod_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_mod_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_tersoff_mod.cu)
+
+      list(APPEND GPU_LIB_SOURCES
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/re_squared_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/re_squared_lj_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_zbl_cl.h
+        ${CMAKE_CURRENT_BINARY_DIR}/gpu/tersoff_mod_cl.h
+      )
+
+      add_library(gpu STATIC ${GPU_LIB_SOURCES})
+      target_link_libraries(gpu ${OpenCL_LIBRARIES})
+      target_include_directories(gpu PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/gpu ${OpenCL_INCLUDE_DIRS})
+      target_compile_definitions(gpu PRIVATE -D_${GPU_PREC_SETTING} -D${OCL_TUNE}_OCL -DMPI_GERYON -DUCL_NO_EXIT)
+      target_compile_definitions(gpu PRIVATE -DUSE_OPENCL)
+
+      list(APPEND LAMMPS_LINK_LIBS gpu)
+
+      add_executable(ocl_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
+      target_compile_definitions(ocl_get_devices PRIVATE -DUCL_OPENCL)
+      target_link_libraries(ocl_get_devices PRIVATE ${OpenCL_LIBRARIES})
+      target_include_directories(ocl_get_devices PRIVATE ${OpenCL_INCLUDE_DIRS})
+    endif()
+
+    # GPU package
+    FindStyleHeaders(${GPU_SOURCES_DIR} FIX_CLASS fix_ FIX)
+
+    set_property(GLOBAL PROPERTY "GPU_SOURCES" "${GPU_SOURCES}")
+
+    # detects styles which have GPU version
+    RegisterStylesExt(${GPU_SOURCES_DIR} gpu GPU_SOURCES)
+
+    get_property(GPU_SOURCES GLOBAL PROPERTY GPU_SOURCES)
+
+    list(APPEND LIB_SOURCES ${GPU_SOURCES})
+    include_directories(${GPU_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/KIM.cmake b/cmake/Modules/Packages/KIM.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..8815f73881b71e1c98780e62043eaf1e4b4983f2
--- /dev/null
+++ b/cmake/Modules/Packages/KIM.cmake
@@ -0,0 +1,42 @@
+if(PKG_KIM)
+  find_package(CURL)
+  if(CURL_FOUND)
+    include_directories(${CURL_INCLUDE_DIRS})
+    list(APPEND LAMMPS_LINK_LIBS ${CURL_LIBRARIES})
+    add_definitions(-DLMP_KIM_CURL)
+  endif()
+  find_package(KIM-API QUIET)
+  if(KIM-API_FOUND)
+    set(DOWNLOAD_KIM_DEFAULT OFF)
+  else()
+    set(DOWNLOAD_KIM_DEFAULT ON)
+  endif()
+  option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})
+  if(DOWNLOAD_KIM)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded KIM-API library with Ninja build tool")
+    endif()
+    message(STATUS "KIM-API download requested - we will build our own")
+    enable_language(C)
+    enable_language(Fortran)
+    include(ExternalProject)
+    ExternalProject_Add(kim_build
+      URL https://s3.openkim.org/kim-api/kim-api-2.0.2.txz
+      URL_MD5 537d9c0abd30f85b875ebb584f9143fa
+      BINARY_DIR build
+      CMAKE_ARGS -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
+                 -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
+                 -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}
+                 -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>
+                 -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
+      )
+    ExternalProject_get_property(kim_build INSTALL_DIR)
+    set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)
+    set(KIM-API_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})
+    list(APPEND LAMMPS_DEPS kim_build)
+  else()
+    find_package(KIM-API REQUIRED)
+  endif()
+  list(APPEND LAMMPS_LINK_LIBS "${KIM-API_LDFLAGS}")
+  include_directories(${KIM-API_INCLUDE_DIRS})
+endif()
diff --git a/cmake/Modules/Packages/KOKKOS.cmake b/cmake/Modules/Packages/KOKKOS.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..2f7d40180201b37f0fab715b5e396324044766ec
--- /dev/null
+++ b/cmake/Modules/Packages/KOKKOS.cmake
@@ -0,0 +1,53 @@
+if(PKG_KOKKOS)
+  set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
+  set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
+  add_definitions(-DLMP_KOKKOS)
+  add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
+
+  set(Kokkos_INCLUDE_DIRS ${LAMMPS_LIB_KOKKOS_SRC_DIR}/core/src
+                          ${LAMMPS_LIB_KOKKOS_SRC_DIR}/containers/src
+                          ${LAMMPS_LIB_KOKKOS_SRC_DIR}/algorithms/src
+                          ${LAMMPS_LIB_KOKKOS_BIN_DIR})
+  include_directories(${Kokkos_INCLUDE_DIRS})
+  list(APPEND LAMMPS_LINK_LIBS kokkos)
+
+  set(KOKKOS_PKG_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/KOKKOS)
+  set(KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/atom_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/atom_vec_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/comm_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/comm_tiled_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/neighbor_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/neigh_list_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/neigh_bond_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/fix_nh_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/domain_kokkos.cpp
+                         ${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
+
+  if(PKG_KSPACE)
+    list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp)
+  endif()
+
+  set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
+
+  # detects styles which have KOKKOS version
+  RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
+
+  # register kokkos-only styles
+  RegisterNBinStyle(${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.h)
+  RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.h)
+
+  if(PKG_USER-DPD)
+    get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
+    list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.cpp)
+    RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.h)
+    set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
+  endif()
+
+  get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
+
+  list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
+  include_directories(${KOKKOS_PKG_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/KSPACE.cmake b/cmake/Modules/Packages/KSPACE.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..6938a93a3667dcbc337105172060c32d9c5b4cbb
--- /dev/null
+++ b/cmake/Modules/Packages/KSPACE.cmake
@@ -0,0 +1,38 @@
+if(PKG_KSPACE)
+  option(FFT_SINGLE "Use single precision FFT instead of double" OFF)
+  set(FFTW "FFTW3")
+  if(FFT_SINGLE)
+    set(FFTW "FFTW3F")
+    add_definitions(-DFFT_SINGLE)
+  endif()
+  find_package(${FFTW} QUIET)
+  if(${FFTW}_FOUND)
+    set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package")
+  else()
+    set(FFT "KISS" CACHE STRING "FFT library for KSPACE package")
+  endif()
+  set(FFT_VALUES KISS ${FFTW} MKL)
+  set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES})
+  validate_option(FFT FFT_VALUES)
+  string(TOUPPER ${FFT} FFT)
+  if(NOT FFT STREQUAL "KISS")
+    find_package(${FFT} REQUIRED)
+    if(NOT FFT STREQUAL "FFTW3F")
+      add_definitions(-DFFT_FFTW)
+    else()
+      add_definitions(-DFFT_${FFT})
+    endif()
+    include_directories(${${FFT}_INCLUDE_DIRS})
+    list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES})
+  else()
+    add_definitions(-DFFT_KISS)
+  endif()
+  set(FFT_PACK "array" CACHE STRING "Optimization for FFT")
+  set(FFT_PACK_VALUES array pointer memcpy)
+  set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES})
+  validate_option(FFT_PACK FFT_PACK_VALUES)
+  if(NOT FFT_PACK STREQUAL "array")
+    string(TOUPPER ${FFT_PACK} FFT_PACK)
+    add_definitions(-DFFT_PACK_${FFT_PACK})
+  endif()
+endif()
diff --git a/cmake/Modules/Packages/LATTE.cmake b/cmake/Modules/Packages/LATTE.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..de7116780bfe262faeebecfebea3a465c9a7f4de
--- /dev/null
+++ b/cmake/Modules/Packages/LATTE.cmake
@@ -0,0 +1,38 @@
+if(PKG_LATTE)
+  enable_language(Fortran)
+  find_package(LATTE)
+  if(LATTE_FOUND)
+    set(DOWNLOAD_LATTE_DEFAULT OFF)
+  else()
+    set(DOWNLOAD_LATTE_DEFAULT ON)
+  endif()
+  option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT})
+  if(DOWNLOAD_LATTE)
+    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
+      message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
+    endif()
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded LATTE library with Ninja build tool")
+    endif()
+    message(STATUS "LATTE download requested - we will build our own")
+    include(ExternalProject)
+    ExternalProject_Add(latte_build
+      URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz
+      URL_MD5 85ac414fdada2d04619c8f936344df14
+      SOURCE_SUBDIR cmake
+      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
+      -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES}
+      -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS}
+      -DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
+    )
+    ExternalProject_get_property(latte_build INSTALL_DIR)
+    set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)
+    list(APPEND LAMMPS_DEPS latte_build)
+  else()
+    find_package(LATTE)
+    if(NOT LATTE_FOUND)
+      message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")
+    endif()
+  endif()
+  list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})
+endif()
diff --git a/cmake/Modules/Packages/MESSAGE.cmake b/cmake/Modules/Packages/MESSAGE.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..3c1bdde855c366fbf74374c08d8bcb6f88eb1d24
--- /dev/null
+++ b/cmake/Modules/Packages/MESSAGE.cmake
@@ -0,0 +1,29 @@
+if(PKG_MESSAGE)
+  option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF)
+  file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F
+      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c
+      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp)
+
+  add_library(cslib STATIC ${cslib_SOURCES})
+  if(BUILD_MPI)
+    target_compile_definitions(cslib PRIVATE -DMPI_YES)
+    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi")
+  else()
+    target_compile_definitions(cslib PRIVATE -DMPI_NO)
+    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_MPI)
+    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi")
+  endif()
+
+  if(MESSAGE_ZMQ)
+    target_compile_definitions(cslib PRIVATE -DZMQ_YES)
+    find_package(ZMQ REQUIRED)
+    target_include_directories(cslib PRIVATE ${ZMQ_INCLUDE_DIRS})
+    target_link_libraries(cslib PUBLIC ${ZMQ_LIBRARIES})
+  else()
+    target_compile_definitions(cslib PRIVATE -DZMQ_NO)
+    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ)
+  endif()
+
+  list(APPEND LAMMPS_LINK_LIBS cslib)
+  include_directories(${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src)
+endif()
diff --git a/cmake/Modules/Packages/MSCG.cmake b/cmake/Modules/Packages/MSCG.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..b442580583a650ebf58241a82b226374483e3cc3
--- /dev/null
+++ b/cmake/Modules/Packages/MSCG.cmake
@@ -0,0 +1,45 @@
+if(PKG_MSCG)
+  find_package(GSL REQUIRED)
+  find_package(MSCG QUIET)
+  if(MSGC_FOUND)
+    set(DOWNLOAD_MSCG_DEFAULT OFF)
+  else()
+    set(DOWNLOAD_MSCG_DEFAULT ON)
+  endif()
+  option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT})
+  if(DOWNLOAD_MSCG)
+    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
+      message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")
+    endif()
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded MSCG library with Ninja build tool")
+    endif()
+    include(ExternalProject)
+    if(NOT LAPACK_FOUND)
+      set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")
+    endif()
+    ExternalProject_Add(mscg_build
+      URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz
+      URL_MD5 8c45e269ee13f60b303edd7823866a91
+      SOURCE_SUBDIR src/CMake
+      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}
+      BUILD_COMMAND make mscg INSTALL_COMMAND ""
+      )
+    ExternalProject_get_property(mscg_build BINARY_DIR)
+    set(MSCG_LIBRARIES ${BINARY_DIR}/libmscg.a)
+    ExternalProject_get_property(mscg_build SOURCE_DIR)
+    set(MSCG_INCLUDE_DIRS ${SOURCE_DIR}/src)
+    list(APPEND LAMMPS_DEPS mscg_build)
+    if(NOT LAPACK_FOUND)
+      file(MAKE_DIRECTORY ${MSCG_INCLUDE_DIRS})
+      add_dependencies(mscg_build linalg)
+    endif()
+  else()
+    find_package(MSCG)
+    if(NOT MSCG_FOUND)
+      message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIRS, or set DOWNLOAD_MSCG=ON to download it")
+    endif()
+  endif()
+  list(APPEND LAMMPS_LINK_LIBS ${MSCG_LIBRARIES} ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})
+  include_directories(${MSCG_INCLUDE_DIRS})
+endif()
diff --git a/cmake/Modules/Packages/OPT.cmake b/cmake/Modules/Packages/OPT.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..f2802c757bdb1d3472395270c9ba1f7a4b652c19
--- /dev/null
+++ b/cmake/Modules/Packages/OPT.cmake
@@ -0,0 +1,13 @@
+if(PKG_OPT)
+    set(OPT_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/OPT)
+    set(OPT_SOURCES)
+    set_property(GLOBAL PROPERTY "OPT_SOURCES" "${OPT_SOURCES}")
+
+    # detects styles which have OPT version
+    RegisterStylesExt(${OPT_SOURCES_DIR} opt OPT_SOURCES)
+
+    get_property(OPT_SOURCES GLOBAL PROPERTY OPT_SOURCES)
+
+    list(APPEND LIB_SOURCES ${OPT_SOURCES})
+    include_directories(${OPT_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/PYTHON.cmake b/cmake/Modules/Packages/PYTHON.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..4f8959ae389ca97ef8774641f08949cf1bff600c
--- /dev/null
+++ b/cmake/Modules/Packages/PYTHON.cmake
@@ -0,0 +1,6 @@
+if(PKG_PYTHON)
+  find_package(PythonLibs REQUIRED)
+  add_definitions(-DLMP_PYTHON)
+  include_directories(${PYTHON_INCLUDE_DIR})
+  list(APPEND LAMMPS_LINK_LIBS ${PYTHON_LIBRARY})
+endif()
diff --git a/cmake/Modules/Packages/QEQ.cmake b/cmake/Modules/Packages/QEQ.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..94cca30540dab41dd831254881ed86f788d00653
--- /dev/null
+++ b/cmake/Modules/Packages/QEQ.cmake
@@ -0,0 +1,20 @@
+# Fix qeq/fire requires MANYBODY (i.e. COMB and COMB3) to be installed
+if(PKG_QEQ)
+  set(QEQ_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/QEQ)
+  file(GLOB QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix*.h)
+  file(GLOB QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix*.cpp)
+
+  if(NOT PKG_MANYBODY)
+    list(REMOVE_ITEM QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix_qeq_fire.h)
+    list(REMOVE_ITEM QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix_qeq_fire.cpp)
+  endif()
+  set_property(GLOBAL PROPERTY "QEQ_SOURCES" "${QEQ_SOURCES}")
+
+  foreach(MY_HEADER ${QEQ_HEADERS})
+    AddStyleHeader(${MY_HEADER} FIX)
+  endforeach()
+
+  get_property(QEQ_SOURCES GLOBAL PROPERTY QEQ_SOURCES)
+  list(APPEND LIB_SOURCES ${QEQ_SOURCES})
+  include_directories(${QEQ_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/USER-H5MD.cmake b/cmake/Modules/Packages/USER-H5MD.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..40ea7b7444cd024c762e9708ebc8dd965a95c153
--- /dev/null
+++ b/cmake/Modules/Packages/USER-H5MD.cmake
@@ -0,0 +1,8 @@
+if(PKG_USER-H5MD)
+  enable_language(C)
+
+  find_package(HDF5 REQUIRED)
+  target_link_libraries(h5md ${HDF5_LIBRARIES})
+  target_include_directories(h5md PRIVATE ${HDF5_INCLUDE_DIRS})
+  include_directories(${HDF5_INCLUDE_DIRS})
+endif()
diff --git a/cmake/Modules/Packages/USER-INTEL.cmake b/cmake/Modules/Packages/USER-INTEL.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..3c0cc7ba2498df01d0a3450faf7049808d6379a8
--- /dev/null
+++ b/cmake/Modules/Packages/USER-INTEL.cmake
@@ -0,0 +1,118 @@
+if(PKG_USER-INTEL)
+  check_include_file_cxx(immintrin.h FOUND_IMMINTRIN)
+  if(NOT FOUND_IMMINTRIN)
+    message(FATAL_ERROR "immintrin.h header not found, Intel package won't work without it")
+  endif()
+
+  add_definitions(-DLMP_USER_INTEL)
+
+  set(INTEL_ARCH "cpu" CACHE STRING "Architectures used by USER-INTEL (cpu or knl)")
+  set(INTEL_ARCH_VALUES cpu knl)
+  set_property(CACHE INTEL_ARCH PROPERTY STRINGS ${INTEL_ARCH_VALUES})
+  validate_option(INTEL_ARCH INTEL_ARCH_VALUES)
+  string(TOUPPER ${INTEL_ARCH} INTEL_ARCH)
+
+  find_package(Threads QUIET)
+  if(Threads_FOUND)
+    set(INTEL_LRT_MODE "threads" CACHE STRING "Long-range threads mode (none, threads, or c++11)")
+  else()
+    set(INTEL_LRT_MODE "none" CACHE STRING "Long-range threads mode (none, threads, or c++11)")
+  endif()
+  set(INTEL_LRT_VALUES none threads c++11)
+  set_property(CACHE INTEL_LRT_MODE PROPERTY STRINGS ${INTEL_LRT_VALUES})
+  validate_option(INTEL_LRT_MODE INTEL_LRT_VALUES)
+  string(TOUPPER ${INTEL_LRT_MODE} INTEL_LRT_MODE)
+  if(INTEL_LRT_MODE STREQUAL "THREADS")
+    if(Threads_FOUND)
+      add_definitions(-DLMP_INTEL_USELRT)
+      list(APPEND LAMMPS_LINK_LIBS ${CMAKE_THREAD_LIBS_INIT})
+    else()
+      message(FATAL_ERROR "Must have working threads library for Long-range thread support")
+    endif()
+  endif()
+  if(INTEL_LRT_MODE STREQUAL "C++11")
+    add_definitions(-DLMP_INTEL_USERLRT -DLMP_INTEL_LRT11)
+  endif()
+
+  if(CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
+    if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16)
+      message(FATAL_ERROR "USER-INTEL needs at least a 2016 Intel compiler, found ${CMAKE_CXX_COMPILER_VERSION}")
+    endif()
+  else()
+    message(WARNING "USER-INTEL gives best performance with Intel compilers")
+  endif()
+
+  find_package(TBB QUIET)
+  if(TBB_FOUND)
+    list(APPEND LAMMPS_LINK_LIBS ${TBB_MALLOC_LIBRARIES})
+  else()
+    add_definitions(-DLMP_INTEL_NO_TBB)
+    if(CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
+      message(WARNING "USER-INTEL with Intel compilers should use TBB malloc libraries")
+    endif()
+  endif()
+
+  find_package(MKL QUIET)
+  if(MKL_FOUND)
+    add_definitions(-DLMP_USE_MKL_RNG)
+    list(APPEND LAMMPS_LINK_LIBS ${MKL_LIBRARIES})
+  else()
+    message(STATUS "Pair style dpd/intel will be faster with MKL libraries")
+  endif()
+
+  if((NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows") AND (NOT ${LAMMPS_MEMALIGN} STREQUAL "64") AND (NOT ${LAMMPS_MEMALIGN} STREQUAL "128") AND (NOT ${LAMMPS_MEMALIGN} STREQUAL "256"))
+    message(FATAL_ERROR "USER-INTEL only supports memory alignment of 64, 128 or 256 on this platform")
+  endif()
+
+  if(INTEL_ARCH STREQUAL "KNL")
+    if(NOT CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
+      message(FATAL_ERROR "Must use Intel compiler with USER-INTEL for KNL architecture")
+    endif()
+    set(CMAKE_EXE_LINKER_FLAGS  "${CMAKE_EXE_LINKER_FLAGS} -xHost -qopenmp -qoffload")
+    set(MIC_OPTIONS "-qoffload-option,mic,compiler,\"-fp-model fast=2 -mGLOB_default_function_attrs=\\\"gather_scatter_loop_unroll=4\\\"\"")
+    add_compile_options(-xMIC-AVX512 -qoffload -fno-alias -ansi-alias -restrict -qoverride-limits ${MIC_OPTIONS})
+    add_definitions(-DLMP_INTEL_OFFLOAD)
+  else()
+    if(CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
+      if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.3 OR CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.4)
+        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xCOMMON-AVX512")
+      else()
+        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xHost")
+      endif()
+      include(CheckCXXCompilerFlag)
+      foreach(_FLAG -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -restrict)
+        check_cxx_compiler_flag("${__FLAG}" COMPILER_SUPPORTS${_FLAG})
+        if(COMPILER_SUPPORTS${_FLAG})
+          add_compile_options(${_FLAG})
+        endif()
+      endforeach()
+    else()
+      add_compile_options(-O3 -ffast-math)
+    endif()
+  endif()
+
+  # collect sources
+  set(USER-INTEL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-INTEL)
+  set(USER-INTEL_SOURCES ${USER-INTEL_SOURCES_DIR}/fix_intel.cpp
+                         ${USER-INTEL_SOURCES_DIR}/fix_nh_intel.cpp
+                         ${USER-INTEL_SOURCES_DIR}/intel_buffers.cpp
+                         ${USER-INTEL_SOURCES_DIR}/nbin_intel.cpp
+                         ${USER-INTEL_SOURCES_DIR}/npair_intel.cpp)
+
+  set_property(GLOBAL PROPERTY "USER-INTEL_SOURCES" "${USER-INTEL_SOURCES}")
+
+  # detect styles which have a USER-INTEL version
+  RegisterStylesExt(${USER-INTEL_SOURCES_DIR} intel USER-INTEL_SOURCES)
+  RegisterNBinStyle(${USER-INTEL_SOURCES_DIR}/nbin_intel.h)
+  RegisterNPairStyle(${USER-INTEL_SOURCES_DIR}/npair_intel.h)
+  RegisterFixStyle(${USER-INTEL_SOURCES_DIR}/fix_intel.h)
+
+  get_property(USER-INTEL_SOURCES GLOBAL PROPERTY USER-INTEL_SOURCES)
+  if(PKG_KSPACE)
+    list(APPEND USER-INTEL_SOURCES ${USER-INTEL_SOURCES_DIR}/verlet_lrt_intel.cpp)
+    RegisterIntegrateStyle(${USER-INTEL_SOURCES_DIR}/verlet_lrt_intel.h)
+  endif()
+
+  list(APPEND LIB_SOURCES ${USER-INTEL_SOURCES})
+  include_directories(${USER-INTEL_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/USER-MOLFILE.cmake b/cmake/Modules/Packages/USER-MOLFILE.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..16ffc349940eb3b5a58b1eab4f73b4154523a075
--- /dev/null
+++ b/cmake/Modules/Packages/USER-MOLFILE.cmake
@@ -0,0 +1,10 @@
+if(PKG_USER-MOLFILE)
+  set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers")
+  add_library(molfile INTERFACE)
+  target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS})
+  # no need to link with -ldl on windows
+  if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
+    target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})
+  endif()
+  list(APPEND LAMMPS_LINK_LIBS molfile)
+endif()
diff --git a/cmake/Modules/Packages/USER-NETCDF.cmake b/cmake/Modules/Packages/USER-NETCDF.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..a90725bbbc65114fbc546006848a7a0c68b49304
--- /dev/null
+++ b/cmake/Modules/Packages/USER-NETCDF.cmake
@@ -0,0 +1,6 @@
+if(PKG_USER-NETCDF)
+  find_package(NetCDF REQUIRED)
+  include_directories(${NETCDF_INCLUDE_DIRS})
+  list(APPEND LAMMPS_LINK_LIBS ${NETCDF_LIBRARIES})
+  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)
+endif()
diff --git a/cmake/Modules/Packages/USER-OMP.cmake b/cmake/Modules/Packages/USER-OMP.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..668f42f10a56f382d5a1146193a6b7c69da0a00a
--- /dev/null
+++ b/cmake/Modules/Packages/USER-OMP.cmake
@@ -0,0 +1,42 @@
+if(PKG_USER-OMP)
+    set(USER-OMP_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-OMP)
+    set(USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/thr_data.cpp
+                         ${USER-OMP_SOURCES_DIR}/thr_omp.cpp
+                         ${USER-OMP_SOURCES_DIR}/fix_omp.cpp
+                         ${USER-OMP_SOURCES_DIR}/fix_nh_omp.cpp
+                         ${USER-OMP_SOURCES_DIR}/fix_nh_sphere_omp.cpp
+                         ${USER-OMP_SOURCES_DIR}/domain_omp.cpp)
+    add_definitions(-DLMP_USER_OMP)
+    set_property(GLOBAL PROPERTY "OMP_SOURCES" "${USER-OMP_SOURCES}")
+
+    # detects styles which have USER-OMP version
+    RegisterStylesExt(${USER-OMP_SOURCES_DIR} omp OMP_SOURCES)
+    RegisterFixStyle(${USER-OMP_SOURCES_DIR}/fix_omp.h)
+
+    get_property(USER-OMP_SOURCES GLOBAL PROPERTY OMP_SOURCES)
+
+    # manually add package dependent source files from USER-OMP that do not provide styles
+
+    if(PKG_ASPHERE)
+      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/fix_nh_asphere_omp.cpp)
+    endif()
+
+    if(PKG_RIGID)
+      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/fix_rigid_nh_omp.cpp)
+    endif()
+
+    if(PKG_USER-REAXC)
+      list(APPEND USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/reaxc_bond_orders_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_hydrogen_bonds_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_nonbonded_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_bonds_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_init_md_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_torsion_angles_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_forces_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_multi_body_omp.cpp
+                                   ${USER-OMP_SOURCES_DIR}/reaxc_valence_angles_omp.cpp)
+    endif()
+
+    list(APPEND LIB_SOURCES ${USER-OMP_SOURCES})
+    include_directories(${USER-OMP_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/USER-PLUMED.cmake b/cmake/Modules/Packages/USER-PLUMED.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..500558fc72c4942903cd8e0bca9aa49f13c6a3c9
--- /dev/null
+++ b/cmake/Modules/Packages/USER-PLUMED.cmake
@@ -0,0 +1,79 @@
+if(PKG_USER-PLUMED)
+  find_package(GSL REQUIRED)
+  set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
+  set(PLUMED_MODE_VALUES static shared runtime)
+  set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
+  validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
+  string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
+
+  find_package(PkgConfig QUIET)
+  set(DOWNLOAD_PLUMED_DEFAULT ON)
+  if(PKG_CONFIG_FOUND)
+    pkg_check_modules(PLUMED QUIET plumed)
+    if(PLUMED_FOUND)
+      set(DOWNLOAD_PLUMED_DEFAULT OFF)
+    endif()
+  endif()
+
+  option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})
+  if(DOWNLOAD_PLUMED)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded Plumed library with Ninja build tool")
+    endif()
+    if(BUILD_MPI)
+      set(PLUMED_CONFIG_MPI "--enable-mpi")
+      set(PLUMED_CONFIG_CC  ${CMAKE_MPI_C_COMPILER})
+      set(PLUMED_CONFIG_CXX  ${CMAKE_MPI_CXX_COMPILER})
+    else()
+      set(PLUMED_CONFIG_MPI "--disable-mpi")
+      set(PLUMED_CONFIG_CC  ${CMAKE_C_COMPILER})
+      set(PLUMED_CONFIG_CXX  ${CMAKE_CXX_COMPILER})
+    endif()
+    if(BUILD_OMP)
+      set(PLUMED_CONFIG_OMP "--enable-openmp")
+    else()
+      set(PLUMED_CONFIG_OMP "--disable-openmp")
+    endif()
+    message(STATUS "PLUMED download requested - we will build our own")
+    include(ExternalProject)
+    ExternalProject_Add(plumed_build
+      URL https://github.com/plumed/plumed2/releases/download/v2.5.1/plumed-src-2.5.1.tgz
+      URL_MD5 c2a7b519e32197a120cdf47e0f194f81
+      BUILD_IN_SOURCE 1
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
+                                               ${CONFIGURE_REQUEST_PIC}
+                                               --enable-modules=all
+                                               ${PLUMED_CONFIG_MPI}
+                                               ${PLUMED_CONFIG_OMP}
+                                               CXX=${PLUMED_CONFIG_CXX}
+                                               CC=${PLUMED_CONFIG_CC}
+    )
+    ExternalProject_get_property(plumed_build INSTALL_DIR)
+    set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
+    list(APPEND LAMMPS_DEPS plumed_build)
+    if(PLUMED_MODE STREQUAL "STATIC")
+      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.a ${GSL_LIBRARIES} ${LAPACK_LIBRARIES} ${CMAKE_DL_LIBS})
+    elseif(PLUMED_MODE STREQUAL "SHARED")
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so ${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so ${CMAKE_DL_LIBS})
+    elseif(PLUMED_MODE STREQUAL "RUNTIME")
+      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so)
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a -rdynamic ${CMAKE_DL_LIBS})
+    endif()
+    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
+  else()
+    find_package(PkgConfig REQUIRED)
+    pkg_check_modules(PLUMED REQUIRED plumed)
+    if(PLUMED_MODE STREQUAL "STATIC")
+      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
+    elseif(PLUMED_MODE STREQUAL "SHARED")
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)
+    elseif(PLUMED_MODE STREQUAL "RUNTIME")
+      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel.so)
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)
+    endif()
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LOAD})
+  endif()
+  include_directories(${PLUMED_INCLUDE_DIRS})
+endif()
diff --git a/cmake/Modules/Packages/USER-QMMM.cmake b/cmake/Modules/Packages/USER-QMMM.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..e0ae1a46dc19128f03c6004e232b284ea3692dbd
--- /dev/null
+++ b/cmake/Modules/Packages/USER-QMMM.cmake
@@ -0,0 +1,9 @@
+if(PKG_USER-QMMM)
+  enable_language(Fortran)
+  enable_language(C)
+
+  message(WARNING "Building QMMM with CMake is still experimental")
+  find_package(QE REQUIRED)
+  include_directories(${QE_INCLUDE_DIRS})
+  list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES})
+endif()
diff --git a/cmake/Modules/Packages/USER-QUIP.cmake b/cmake/Modules/Packages/USER-QUIP.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..93096a2f54bec679eda388df567f5b35662641cf
--- /dev/null
+++ b/cmake/Modules/Packages/USER-QUIP.cmake
@@ -0,0 +1,5 @@
+if(PKG_USER-QUIP)
+  enable_language(Fortran)
+  find_package(QUIP REQUIRED)
+  list(APPEND LAMMPS_LINK_LIBS ${QUIP_LIBRARIES} ${LAPACK_LIBRARIES})
+endif()
diff --git a/cmake/Modules/Packages/USER-SCAFACOS.cmake b/cmake/Modules/Packages/USER-SCAFACOS.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..475f2585c80fcfb19c4f8d6cf731791d122a9f90
--- /dev/null
+++ b/cmake/Modules/Packages/USER-SCAFACOS.cmake
@@ -0,0 +1,62 @@
+if(PKG_USER-SCAFACOS)
+  enable_language(Fortran)
+  enable_language(C)
+
+  find_package(GSL REQUIRED)
+  find_package(PkgConfig QUIET)
+  set(DOWNLOAD_SCAFACOS_DEFAULT ON)
+  if(PKG_CONFIG_FOUND)
+    pkg_check_modules(SCAFACOS QUIET scafacos)
+    if(SCAFACOS_FOUND)
+      set(DOWNLOAD_SCAFACOS_DEFAULT OFF)
+    endif()
+  endif()
+  option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" ${DOWNLOAD_SCAFACOS_DEFAULT})
+  if(DOWNLOAD_SCAFACOS)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded ScaFaCoS library with Ninja build tool")
+    endif()
+    message(STATUS "ScaFaCoS download requested - we will build our own")
+    include(ExternalProject)
+    ExternalProject_Add(scafacos_build
+      URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz
+      URL_MD5 bd46d74e3296bd8a444d731bb10c1738
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --disable-doc
+                                               --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m
+                                               --with-internal-fftw --with-internal-pfft
+                                               --with-internal-pnfft ${CONFIGURE_REQUEST_PIC}
+                                               FC=${CMAKE_MPI_Fortran_COMPILER}
+                                               CXX=${CMAKE_MPI_CXX_COMPILER}
+                                               CC=${CMAKE_MPI_C_COMPILER}
+                                               F77=
+    )
+    ExternalProject_get_property(scafacos_build INSTALL_DIR)
+    set(SCAFACOS_BUILD_DIR ${INSTALL_DIR})
+    set(SCAFACOS_INCLUDE_DIRS ${SCAFACOS_BUILD_DIR}/include)
+    list(APPEND LAMMPS_DEPS scafacos_build)
+    # list and order from pkg_config file of ScaFaCoS build
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_direct.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_ewald.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fmm.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p2nfft.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p3m.a)
+    list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES})
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_near.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_gridsort.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_resort.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_redist.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_common.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pnfft.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pfft.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3_mpi.a)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3.a)
+    list(APPEND LAMMPS_LINK_LIBS ${MPI_Fortran_LIBRARIES})
+    list(APPEND LAMMPS_LINK_LIBS ${MPI_C_LIBRARIES})
+  else()
+    find_package(PkgConfig REQUIRED)
+    pkg_check_modules(SCAFACOS REQUIRED scafacos)
+    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_LDFLAGS})
+  endif()
+  include_directories(${SCAFACOS_INCLUDE_DIRS})
+endif()
diff --git a/cmake/Modules/Packages/USER-SDPD.cmake b/cmake/Modules/Packages/USER-SDPD.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..530dcf2bd915446b24e5521e97f59b24504df340
--- /dev/null
+++ b/cmake/Modules/Packages/USER-SDPD.cmake
@@ -0,0 +1,13 @@
+# Fix rigid/meso requires RIGID to be installed
+if(PKG_USER-SDPD)
+  set(USER-SDPD_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-SDPD)
+
+  get_property(hlist GLOBAL PROPERTY FIX)
+  if(NOT PKG_RIGID)
+    list(REMOVE_ITEM hlist ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.h)
+    list(REMOVE_ITEM LIB_SOURCES ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.cpp)
+  endif()
+  set_property(GLOBAL PROPERTY FIX "${hlist}")
+
+  include_directories(${USER-SDPD_SOURCES_DIR})
+endif()
diff --git a/cmake/Modules/Packages/USER-SMD.cmake b/cmake/Modules/Packages/USER-SMD.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..a868918e378649a501b4a616ba1bf0aafd49b2db
--- /dev/null
+++ b/cmake/Modules/Packages/USER-SMD.cmake
@@ -0,0 +1,28 @@
+if(PKG_USER-SMD)
+  find_package(Eigen3 NO_MODULE)
+  if(EIGEN3_FOUND)
+    set(DOWNLOAD_EIGEN3_DEFAULT OFF)
+  else()
+    set(DOWNLOAD_EIGEN3_DEFAULT ON)
+  endif()
+  option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" ${DOWNLOAD_EIGEN3_DEFAULT})
+  if(DOWNLOAD_EIGEN3)
+    message(STATUS "Eigen3 download requested - we will build our own")
+    include(ExternalProject)
+    ExternalProject_Add(Eigen3_build
+      URL http://bitbucket.org/eigen/eigen/get/3.3.7.tar.gz
+      URL_MD5 f2a417d083fe8ca4b8ed2bc613d20f07
+      CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""
+    )
+    ExternalProject_get_property(Eigen3_build SOURCE_DIR)
+    set(EIGEN3_INCLUDE_DIR ${SOURCE_DIR})
+    list(APPEND LAMMPS_DEPS Eigen3_build)
+  else()
+    find_package(Eigen3 NO_MODULE)
+    mark_as_advanced(Eigen3_DIR)
+    if(NOT EIGEN3_FOUND)
+      message(FATAL_ERROR "Eigen3 not found, help CMake to find it by setting EIGEN3_INCLUDE_DIR, or set DOWNLOAD_EIGEN3=ON to download it")
+    endif()
+  endif()
+  include_directories(${EIGEN3_INCLUDE_DIR})
+endif()
diff --git a/cmake/Modules/Packages/USER-VTK.cmake b/cmake/Modules/Packages/USER-VTK.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..d264577ca2f77f5af3b2cbac590f4d9fc07500d9
--- /dev/null
+++ b/cmake/Modules/Packages/USER-VTK.cmake
@@ -0,0 +1,6 @@
+if(PKG_USER-VTK)
+  find_package(VTK REQUIRED NO_MODULE)
+  include(${VTK_USE_FILE})
+  add_definitions(-DLAMMPS_VTK)
+  list(APPEND LAMMPS_LINK_LIBS ${VTK_LIBRARIES})
+endif()
diff --git a/cmake/Modules/Packages/VORONOI.cmake b/cmake/Modules/Packages/VORONOI.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..5ce974a7ae701baea0e3aa2def430a18c351c5e9
--- /dev/null
+++ b/cmake/Modules/Packages/VORONOI.cmake
@@ -0,0 +1,41 @@
+if(PKG_VORONOI)
+  find_package(VORO)
+  if(VORO_FOUND)
+    set(DOWNLOAD_VORO_DEFAULT OFF)
+  else()
+    set(DOWNLOAD_VORO_DEFAULT ON)
+  endif()
+  option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" ${DOWNLOAD_VORO_DEFAULT})
+  if(DOWNLOAD_VORO)
+    if(CMAKE_GENERATOR STREQUAL "Ninja")
+      message(FATAL_ERROR "Cannot build downloaded Voro++ library with Ninja build tool")
+    endif()
+    message(STATUS "Voro++ download requested - we will build our own")
+    include(ExternalProject)
+
+    if(BUILD_SHARED_LIBS)
+      set(VORO_BUILD_CFLAGS "${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
+    else()
+      set(VORO_BUILD_CFLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
+    endif()
+    string(APPEND VORO_BUILD_CFLAGS ${CMAKE_CXX_FLAGS})
+    set(VORO_BUILD_OPTIONS CXX=${CMAKE_CXX_COMPILER} CFLAGS=${VORO_BUILD_CFLAGS})
+
+    ExternalProject_Add(voro_build
+      URL https://download.lammps.org/thirdparty/voro++-0.4.6.tar.gz
+      URL_MD5 2338b824c3b7b25590e18e8df5d68af9
+      CONFIGURE_COMMAND "" BUILD_COMMAND make ${VORO_BUILD_OPTIONS} BUILD_IN_SOURCE 1 INSTALL_COMMAND ""
+      )
+    ExternalProject_get_property(voro_build SOURCE_DIR)
+    set(VORO_LIBRARIES ${SOURCE_DIR}/src/libvoro++.a)
+    set(VORO_INCLUDE_DIRS ${SOURCE_DIR}/src)
+    list(APPEND LAMMPS_DEPS voro_build)
+  else()
+    find_package(VORO)
+    if(NOT VORO_FOUND)
+      message(FATAL_ERROR "Voro++ library not found. Help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it")
+    endif()
+  endif()
+  include_directories(${VORO_INCLUDE_DIRS})
+  list(APPEND LAMMPS_LINK_LIBS ${VORO_LIBRARIES})
+endif()
diff --git a/cmake/Modules/StyleHeaderUtils.cmake b/cmake/Modules/StyleHeaderUtils.cmake
index a7b23b4cf1c968591b611768edc13d7e9d95e6de..04883d02925f6a9862ef7cd3c89ecdcdab148f47 100644
--- a/cmake/Modules/StyleHeaderUtils.cmake
+++ b/cmake/Modules/StyleHeaderUtils.cmake
@@ -91,6 +91,10 @@ function(RegisterFixStyle path)
     AddStyleHeader(${path} FIX)
 endfunction(RegisterFixStyle)
 
+function(RegisterIntegrateStyle path)
+    AddStyleHeader(${path} INTEGRATE)
+endfunction(RegisterIntegrateStyle)
+
 function(RegisterStyles search_path)
     FindStyleHeaders(${search_path} ANGLE_CLASS     angle_     ANGLE     ) # angle     ) # force
     FindStyleHeaders(${search_path} ATOM_CLASS      atom_vec_  ATOM_VEC  ) # atom      ) # atom      atom_vec_hybrid
@@ -177,3 +181,88 @@ function(DetectBuildSystemConflict lammps_src_dir)
     endforeach()
   endif()
 endfunction(DetectBuildSystemConflict)
+
+
+function(FindPackagesHeaders path style_class file_pattern headers)
+    file(GLOB files "${path}/${file_pattern}*.h")
+    get_property(plist GLOBAL PROPERTY ${headers})
+
+    foreach(file_name ${files})
+        file(STRINGS ${file_name} is_style LIMIT_COUNT 1 REGEX ${style_class})
+        if(is_style)
+            list(APPEND plist ${file_name})
+        endif()
+    endforeach()
+    set_property(GLOBAL PROPERTY ${headers} "${plist}")
+endfunction(FindPackagesHeaders)
+
+function(RegisterPackages search_path)
+    FindPackagesHeaders(${search_path} ANGLE_CLASS     angle_     PKGANGLE     ) # angle     ) # force
+    FindPackagesHeaders(${search_path} ATOM_CLASS      atom_vec_  PKGATOM_VEC  ) # atom      ) # atom      atom_vec_hybrid
+    FindPackagesHeaders(${search_path} BODY_CLASS      body_      PKGBODY      ) # body      ) # atom_vec_body
+    FindPackagesHeaders(${search_path} BOND_CLASS      bond_      PKGBOND      ) # bond      ) # force
+    FindPackagesHeaders(${search_path} COMMAND_CLASS   "[^.]"     PKGCOMMAND   ) # command   ) # input
+    FindPackagesHeaders(${search_path} COMPUTE_CLASS   compute_   PKGCOMPUTE   ) # compute   ) # modify
+    FindPackagesHeaders(${search_path} DIHEDRAL_CLASS  dihedral_  PKGDIHEDRAL  ) # dihedral  ) # force
+    FindPackagesHeaders(${search_path} DUMP_CLASS      dump_      PKGDUMP      ) # dump      ) # output    write_dump
+    FindPackagesHeaders(${search_path} FIX_CLASS       fix_       PKGFIX       ) # fix       ) # modify
+    FindPackagesHeaders(${search_path} IMPROPER_CLASS  improper_  PKGIMPROPER  ) # improper  ) # force
+    FindPackagesHeaders(${search_path} INTEGRATE_CLASS "[^.]"     PKGINTEGRATE ) # integrate ) # update
+    FindPackagesHeaders(${search_path} KSPACE_CLASS    "[^.]"     PKGKSPACE    ) # kspace    ) # force
+    FindPackagesHeaders(${search_path} MINIMIZE_CLASS  min_       PKGMINIMIZE  ) # minimize  ) # update
+    FindPackagesHeaders(${search_path} NBIN_CLASS      nbin_      PKGNBIN      ) # nbin      ) # neighbor
+    FindPackagesHeaders(${search_path} NPAIR_CLASS     npair_     PKGNPAIR     ) # npair     ) # neighbor
+    FindPackagesHeaders(${search_path} NSTENCIL_CLASS  nstencil_  PKGNSTENCIL  ) # nstencil  ) # neighbor
+    FindPackagesHeaders(${search_path} NTOPO_CLASS     ntopo_     PKGNTOPO     ) # ntopo     ) # neighbor
+    FindPackagesHeaders(${search_path} PAIR_CLASS      pair_      PKGPAIR      ) # pair      ) # force
+    FindPackagesHeaders(${search_path} READER_CLASS    reader_    PKGREADER    ) # reader    ) # read_dump
+    FindPackagesHeaders(${search_path} REGION_CLASS    region_    PKGREGION    ) # region    ) # domain
+endfunction(RegisterPackages)
+
+function(CreatePackagesHeader path filename)
+  set(temp "")
+  if(ARGC GREATER 2)
+    list(REMOVE_AT ARGV 0 1)
+    foreach(FNAME ${ARGV})
+      set_property(DIRECTORY APPEND PROPERTY CMAKE_CONFIGURE_DEPENDS "${FNAME}")
+      get_filename_component(DNAME ${FNAME} DIRECTORY)
+      get_filename_component(DNAME ${DNAME} NAME)
+      get_filename_component(FNAME ${FNAME} NAME)
+      set(temp "${temp}#undef PACKAGE\n#define PACKAGE \"${DNAME}\"\n")
+      set(temp "${temp}#include \"${DNAME}/${FNAME}\"\n")
+    endforeach()
+  endif()
+  message(STATUS "Generating ${filename}...")
+  file(WRITE "${path}/${filename}.tmp" "${temp}" )
+  execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different "${path}/${filename}.tmp" "${path}/${filename}")
+  set_property(DIRECTORY APPEND PROPERTY CMAKE_CONFIGURE_DEPENDS "${path}/${filename}")
+endfunction(CreatePackagesHeader)
+
+function(GeneratePackagesHeader path property style)
+  get_property(files GLOBAL PROPERTY ${property})
+  CreatePackagesHeader("${path}" "packages_${style}.h" ${files})
+endfunction(GeneratePackagesHeader)
+
+function(GeneratePackagesHeaders output_path)
+    GeneratePackagesHeader(${output_path} PKGANGLE      angle     ) # force
+    GeneratePackagesHeader(${output_path} PKGATOM_VEC   atom      ) # atom      atom_vec_hybrid
+    GeneratePackagesHeader(${output_path} PKGBODY       body      ) # atom_vec_body
+    GeneratePackagesHeader(${output_path} PKGBOND       bond      ) # force
+    GeneratePackagesHeader(${output_path} PKGCOMMAND    command   ) # input
+    GeneratePackagesHeader(${output_path} PKGCOMPUTE    compute   ) # modify
+    GeneratePackagesHeader(${output_path} PKGDIHEDRAL   dihedral  ) # force
+    GeneratePackagesHeader(${output_path} PKGDUMP       dump      ) # output    write_dump
+    GeneratePackagesHeader(${output_path} PKGFIX        fix       ) # modify
+    GeneratePackagesHeader(${output_path} PKGIMPROPER   improper  ) # force
+    GeneratePackagesHeader(${output_path} PKGINTEGRATE  integrate ) # update
+    GeneratePackagesHeader(${output_path} PKGKSPACE     kspace    ) # force
+    GeneratePackagesHeader(${output_path} PKGMINIMIZE   minimize  ) # update
+    GeneratePackagesHeader(${output_path} PKGNBIN       nbin      ) # neighbor
+    GeneratePackagesHeader(${output_path} PKGNPAIR      npair     ) # neighbor
+    GeneratePackagesHeader(${output_path} PKGNSTENCIL   nstencil  ) # neighbor
+    GeneratePackagesHeader(${output_path} PKGNTOPO      ntopo     ) # neighbor
+    GeneratePackagesHeader(${output_path} PKGPAIR       pair      ) # force
+    GeneratePackagesHeader(${output_path} PKGREADER     reader    ) # read_dump
+    GeneratePackagesHeader(${output_path} PKGREGION     region    ) # domain
+endfunction(GeneratePackagesHeaders)
+
diff --git a/cmake/Modules/Testing.cmake b/cmake/Modules/Testing.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..0eeef00fe9ab4b603fe319825662a6b827f46ac7
--- /dev/null
+++ b/cmake/Modules/Testing.cmake
@@ -0,0 +1,52 @@
+###############################################################################
+# Testing
+###############################################################################
+option(ENABLE_TESTING "Enable testing" OFF)
+if(ENABLE_TESTING AND BUILD_EXE)
+  enable_testing()
+  option(LAMMPS_TESTING_SOURCE_DIR "Location of lammps-testing source directory" "")
+  option(LAMMPS_TESTING_GIT_TAG    "Git tag of lammps-testing" "master")
+  mark_as_advanced(LAMMPS_TESTING_SOURCE_DIR LAMMPS_TESTING_GIT_TAG)
+
+  if (CMAKE_VERSION VERSION_GREATER "3.10.3" AND NOT LAMMPS_TESTING_SOURCE_DIR)
+    include(FetchContent)
+
+    FetchContent_Declare(lammps-testing
+      GIT_REPOSITORY https://github.com/lammps/lammps-testing.git
+      GIT_TAG ${LAMMPS_TESTING_GIT_TAG}
+    )
+
+    FetchContent_GetProperties(lammps-testing)
+    if(NOT lammps-testing_POPULATED)
+      message(STATUS "Downloading tests...")
+      FetchContent_Populate(lammps-testing)
+    endif()
+
+    set(LAMMPS_TESTING_SOURCE_DIR ${lammps-testing_SOURCE_DIR})
+  elseif(NOT LAMMPS_TESTING_SOURCE_DIR)
+    message(WARNING "Full test-suite requires CMake >= 3.11 or copy of\n"
+                    "https://github.com/lammps/lammps-testing in LAMMPS_TESTING_SOURCE_DIR")
+  endif()
+
+  add_test(ShowHelp ${CMAKE_BINARY_DIR}/${LAMMPS_BINARY} -help)
+
+  if(EXISTS ${LAMMPS_TESTING_SOURCE_DIR})
+    message(STATUS "Running test discovery...")
+
+    file(GLOB_RECURSE TEST_SCRIPTS ${LAMMPS_TESTING_SOURCE_DIR}/tests/core/*/in.*)
+    foreach(script_path ${TEST_SCRIPTS})
+      get_filename_component(TEST_NAME ${script_path} EXT)
+      get_filename_component(SCRIPT_NAME ${script_path} NAME)
+      get_filename_component(PARENT_DIR ${script_path} DIRECTORY)
+      string(SUBSTRING ${TEST_NAME} 1 -1 TEST_NAME)
+      string(REPLACE "-" "_" TEST_NAME ${TEST_NAME})
+      string(REPLACE "+" "_" TEST_NAME ${TEST_NAME})
+      set(TEST_NAME "test_core_${TEST_NAME}_serial")
+      add_test(${TEST_NAME} ${CMAKE_BINARY_DIR}/${LAMMPS_BINARY} -in ${SCRIPT_NAME})
+      set_tests_properties(${TEST_NAME} PROPERTIES WORKING_DIRECTORY ${PARENT_DIR})
+    endforeach()
+    list(LENGTH TEST_SCRIPTS NUM_TESTS)
+
+    message(STATUS "Found ${NUM_TESTS} tests.")
+  endif()
+endif()
diff --git a/cmake/Modules/generate_lmpgitversion.cmake b/cmake/Modules/generate_lmpgitversion.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..a4aa59b26272c5d88934f373881d19804aa528e8
--- /dev/null
+++ b/cmake/Modules/generate_lmpgitversion.cmake
@@ -0,0 +1,30 @@
+set(temp "#ifndef LMP_GIT_VERSION_H\n#define LMP_GIT_VERSION_H\n")
+set(temp_git_commit "(unknown)")
+set(temp_git_branch "(unknown)")
+set(temp_git_describe "(unknown)")
+set(temp_git_info "false")
+if(GIT_FOUND AND EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/../.git)
+  set(temp_git_info "true")
+  execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. rev-parse HEAD
+    OUTPUT_VARIABLE temp_git_commit
+    ERROR_QUIET
+    OUTPUT_STRIP_TRAILING_WHITESPACE)
+  execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. rev-parse --abbrev-ref HEAD
+    OUTPUT_VARIABLE temp_git_branch
+    ERROR_QUIET
+    OUTPUT_STRIP_TRAILING_WHITESPACE)
+  execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. describe --dirty=-modified
+    OUTPUT_VARIABLE temp_git_describe
+    ERROR_QUIET
+    OUTPUT_STRIP_TRAILING_WHITESPACE)
+endif()
+
+set(temp "${temp}const bool LAMMPS_NS::LAMMPS::has_git_info = ${temp_git_info};\n")
+set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_commit[] = \"${temp_git_commit}\";\n")
+set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_branch[] = \"${temp_git_branch}\";\n")
+set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_descriptor[] = \"${temp_git_describe}\";\n")
+set(temp "${temp}#endif\n\n")
+
+message(STATUS "Generating lmpgitversion.h...")
+file(WRITE "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h.tmp" "${temp}" )
+execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h.tmp" "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h")
diff --git a/cmake/README.md b/cmake/README.md
index ce3b4502afb4f6572c555ac1e01a2c9496b02214..c11326f9d5d37bda7806cdb0cdf90bd24f0074d2 100644
--- a/cmake/README.md
+++ b/cmake/README.md
@@ -155,11 +155,13 @@ make
 
 The CMake build exposes a lot of different options. In the old build system
 some of the package selections were possible by using special make target like
-`make yes-std` or `make no-lib`. Achieving the same result with cmake requires
+`make yes-std` or `make no-lib`. Achieving a similar result with cmake requires
 specifying all options manually. This can quickly become a very long command
 line that is hard to handle.  While these could be stored in a simple script
 file, there is another way of defining "presets" to compile LAMMPS in a certain
-way.
+way. Since the cmake build process - contrary to the conventional build system -
+includes the compilation of the bundled libraries into the standard build process,
+the grouping of those presets is somewhat different.
 
 A preset is a regular CMake script file that can use constructs such as
 variables, lists and for-loops to manipulate configuration options and create
@@ -171,10 +173,10 @@ Such a file can then be passed to cmake via the `-C` flag. Several examples of
 presets can be found in the `cmake/presets` folder.
 
 ```bash
-# build LAMMPS with all "standard" packages which don't use libraries and enable GPU package
+# build LAMMPS with all packages enabled which don't use external libraries and enable GPU package
 mkdir build
 cd build
-cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake
+cmake -C ../cmake/presets/all_on.cmake -C ../cmake/presets/nolib.cmake -D PKG_GPU=on ../cmake
 ```
 
 # Reference
@@ -209,7 +211,7 @@ cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake
   </td>
 </tr>
 <tr>
-  <td><code><CMAKE_VERBOSE_MAKEFILE/code></td>
+  <td><code>CMAKE_VERBOSE_MAKEFILE</code></td>
   <td>Enable verbose output from Makefile builds (useful for debugging), the same can be achived by adding `VERBOSE=1` to the `make` call.</td>
   <td>
   <dl>
@@ -1429,6 +1431,17 @@ TODO
   </dl>
   </td>
 </tr>
+<tr>
+  <td><code>INTEL_LRT_MODE</code></td>
+  <td>How to support Long-range thread mode in Verlet integration</td>
+  <td>
+  <dl>
+    <dt><code>threads</code> (default, if pthreads available)</dt>
+    <dt><code>none</code> (default, if pthreads not available)</dt>
+    <dt><code>c++11</code></dt>
+  </dl>
+  </td>
+</tr>
 </tbody>
 </table>
 
@@ -1503,6 +1516,16 @@ target API.
   </dl>
   </td>
 </tr>
+<tr>
+  <td><code>CUDA_MPS_SUPPORT</code> (CUDA only)</td>
+  <td>Enable tweaks for running with Nvidia CUDA Multi-process services daemon</td>
+  <td>
+  <dl>
+    <dt><code>on</code></dt>
+    <dt><code>off</code> (default)</dt>
+  </dl>
+  </td>
+</tr>
 <tr>
   <td><code>BIN2C</code> (CUDA only)</td>
   <td>Path to bin2c executable, will automatically pick up the first one in your $PATH.</td>
diff --git a/cmake/etc/profile.d/lammps.csh.in b/cmake/etc/profile.d/lammps.csh.in
index def49bf75c0112503f7286dbb68843a258e993f3..42f222d67c859d688d824a2cfaefb639fb0a025d 100644
--- a/cmake/etc/profile.d/lammps.csh.in
+++ b/cmake/etc/profile.d/lammps.csh.in
@@ -1,2 +1,4 @@
-# set environment for LAMMPS executables to find potential files
+# set environment for LAMMPS and msi2lmp executables
+# to find potential and force field files
 if ( "$?LAMMPS_POTENTIALS" == 0 ) setenv LAMMPS_POTENTIALS @LAMMPS_POTENTIALS_DIR@
+if ( "$?MSI2LMP_LIBRARY" == 0 ) setenv MSI2LMP_LIBRARY @LAMMPS_FRC_FILES_DIR@
diff --git a/cmake/etc/profile.d/lammps.sh.in b/cmake/etc/profile.d/lammps.sh.in
index acd75fa0cff7bae7013d8c32d8453e2083dc217d..c1967cb5b2ec30cb53984275712bd14268e0c655 100644
--- a/cmake/etc/profile.d/lammps.sh.in
+++ b/cmake/etc/profile.d/lammps.sh.in
@@ -1,2 +1,5 @@
-# set environment for LAMMPS executables to find potential files
-export LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_POTENTIALS_DIR@}
+# set environment for LAMMPS and msi2lmp executables
+# to find potential and force field files
+LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_POTENTIALS_DIR@}
+MSI2LMP_LIBRARY=${MSI2LMP_LIBRARY-@LAMMPS_FRC_FILES_DIR@}
+export LAMMPS_POTENTIALS MSI2LMP_LIBRARY
diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake
index b434796d7cb248da7cd29f9369dd549e8e2667a4..9d03be99ecb41d059a1e8e072b776513df84122a 100644
--- a/cmake/presets/all_off.cmake
+++ b/cmake/presets/all_off.cmake
@@ -1,21 +1,17 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
+# preset that turns on all existing packages off. can be used to reset
+# an existing package selection without losing any other settings
 
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
+set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
+        GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MOLECULE
+        MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN
+        SRD VORONOI
+        USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
+        USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
+        USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
+        USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
+        USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP
+        USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
+        USER-TALLY USER-UEF USER-VTK USER-YAFF)
 
 foreach(PKG ${ALL_PACKAGES})
   set(PKG_${PKG} OFF CACHE BOOL "" FORCE)
diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake
index 3a1100f3370b370edde256998dfeb695db721575..2ff107975a6d3e92906186093e37df3e49ad48b8 100644
--- a/cmake/presets/all_on.cmake
+++ b/cmake/presets/all_on.cmake
@@ -1,21 +1,19 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
+# preset that turns on all existing packages. using the combination
+# this preset followed by the nolib.cmake preset should configure a
+# LAMMPS binary, with as many packages included, that can be compiled
+# with just a working C++ compiler and an MPI library.
 
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
+set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
+        GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MOLECULE
+        MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN
+        SRD VORONOI
+        USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
+        USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
+        USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
+        USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
+        USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP
+        USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
+        USER-TALLY USER-UEF USER-VTK USER-YAFF)
 
 foreach(PKG ${ALL_PACKAGES})
   set(PKG_${PKG} ON CACHE BOOL "" FORCE)
diff --git a/cmake/presets/clang.cmake b/cmake/presets/clang.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..828f359f540baa99e8ef6064b7dda24f1e1dbc0b
--- /dev/null
+++ b/cmake/presets/clang.cmake
@@ -0,0 +1,17 @@
+# preset that will enable clang/clang++ with support for MPI and OpenMP (on Linux boxes)
+
+set(CMAKE_CXX_COMPILER "clang++" CACHE STRING "" FORCE)
+set(CMAKE_C_COMPILER "clang" CACHE STRING "" FORCE)
+set(CMAKE_CXX_FLAGS "-Wall -Wextra -g -O2 -DNDEBG" CACHE STRING "" FORCE)
+set(MPI_CXX "clang++" CACHE STRING "" FORCE)
+set(MPI_CXX_COMPILER "mpicxx" CACHE STRING "" FORCE)
+unset(HAVE_OMP_H_INCLUDE CACHE)
+
+set(OpenMP_C "clang" CACHE STRING "" FORCE)
+set(OpenMP_C_FLAGS "-fopenmp" CACHE STRING "" FORCE)
+set(OpenMP_C_LIB_NAMES "omp" CACHE STRING "" FORCE)
+set(OpenMP_CXX "clang++" CACHE STRING "" FORCE)
+set(OpenMP_CXX_FLAGS "-fopenmp" CACHE STRING "" FORCE)
+set(OpenMP_CXX_LIB_NAMES "omp" CACHE STRING "" FORCE)
+set(OpenMP_omp_LIBRARY "/usr/lib64/libomp.so" CACHE PATH "" FORCE)
+
diff --git a/cmake/presets/manual_selection.cmake b/cmake/presets/manual_selection.cmake
deleted file mode 100644
index 6db41b708c04aa773a72a1cb82af34d4b0ff2897..0000000000000000000000000000000000000000
--- a/cmake/presets/manual_selection.cmake
+++ /dev/null
@@ -1,71 +0,0 @@
-set(PKG_ASPHERE OFF CACHE BOOL "" FORCE)
-set(PKG_BODY OFF CACHE BOOL "" FORCE)
-set(PKG_CLASS2 OFF CACHE BOOL "" FORCE)
-set(PKG_COLLOID OFF CACHE BOOL "" FORCE)
-set(PKG_COMPRESS OFF CACHE BOOL "" FORCE)
-set(PKG_CORESHELL OFF CACHE BOOL "" FORCE)
-set(PKG_DIPOLE OFF CACHE BOOL "" FORCE)
-set(PKG_GPU OFF CACHE BOOL "" FORCE)
-set(PKG_GRANULAR OFF CACHE BOOL "" FORCE)
-set(PKG_KIM OFF CACHE BOOL "" FORCE)
-set(PKG_KOKKOS OFF CACHE BOOL "" FORCE)
-set(PKG_KSPACE OFF CACHE BOOL "" FORCE)
-set(PKG_LATTE OFF CACHE BOOL "" FORCE)
-set(PKG_LIB OFF CACHE BOOL "" FORCE)
-set(PKG_MANYBODY OFF CACHE BOOL "" FORCE)
-set(PKG_MC OFF CACHE BOOL "" FORCE)
-set(PKG_MEAM OFF CACHE BOOL "" FORCE)
-set(PKG_MISC OFF CACHE BOOL "" FORCE)
-set(PKG_MOLECULE OFF CACHE BOOL "" FORCE)
-set(PKG_MPIIO OFF CACHE BOOL "" FORCE)
-set(PKG_MSCG OFF CACHE BOOL "" FORCE)
-set(PKG_OPT OFF CACHE BOOL "" FORCE)
-set(PKG_PERI OFF CACHE BOOL "" FORCE)
-set(PKG_POEMS OFF CACHE BOOL "" FORCE)
-set(PKG_PYTHOFF OFF CACHE BOOL "" FORCE)
-set(PKG_QEQ OFF CACHE BOOL "" FORCE)
-set(PKG_REAX OFF CACHE BOOL "" FORCE)
-set(PKG_REPLICA OFF CACHE BOOL "" FORCE)
-set(PKG_RIGID OFF CACHE BOOL "" FORCE)
-set(PKG_SHOCK OFF CACHE BOOL "" FORCE)
-set(PKG_SNAP OFF CACHE BOOL "" FORCE)
-set(PKG_SRD OFF CACHE BOOL "" FORCE)
-set(PKG_VOROFFOI OFF CACHE BOOL "" FORCE)
-
-set(PKG_USER OFF CACHE BOOL "" FORCE)
-set(PKG_USER-ATC OFF CACHE BOOL "" FORCE)
-set(PKG_USER-AWPMD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-BOCS OFF CACHE BOOL "" FORCE)
-set(PKG_USER-CGDNA OFF CACHE BOOL "" FORCE)
-set(PKG_USER-CGSDK OFF CACHE BOOL "" FORCE)
-set(PKG_USER-COLVARS OFF CACHE BOOL "" FORCE)
-set(PKG_USER-DIFFRACTIOFF OFF CACHE BOOL "" FORCE)
-set(PKG_USER-DPD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-DRUDE OFF CACHE BOOL "" FORCE)
-set(PKG_USER-EFF OFF CACHE BOOL "" FORCE)
-set(PKG_USER-FEP OFF CACHE BOOL "" FORCE)
-set(PKG_USER-H5MD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-INTEL OFF CACHE BOOL "" FORCE)
-set(PKG_USER-LB OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MANIFOLD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MEAMC OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MESO OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MGPT OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MISC OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MOFFF OFF CACHE BOOL "" FORCE)
-set(PKG_USER-MOLFILE OFF CACHE BOOL "" FORCE)
-set(PKG_USER-NETCDF OFF CACHE BOOL "" FORCE)
-set(PKG_USER-OMP OFF CACHE BOOL "" FORCE)
-set(PKG_USER-PHONON OFF CACHE BOOL "" FORCE)
-set(PKG_USER-PLUMED OFF CACHE BOOL "" FORCE)
-set(PKG_USER-QMMM OFF CACHE BOOL "" FORCE)
-set(PKG_USER-QTB OFF CACHE BOOL "" FORCE)
-set(PKG_USER-QUIP OFF CACHE BOOL "" FORCE)
-set(PKG_USER-REAXC OFF CACHE BOOL "" FORCE)
-set(PKG_USER-SDPD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-SMD OFF CACHE BOOL "" FORCE)
-set(PKG_USER-SMTBQ OFF CACHE BOOL "" FORCE)
-set(PKG_USER-SPH OFF CACHE BOOL "" FORCE)
-set(PKG_USER-TALLY OFF CACHE BOOL "" FORCE)
-set(PKG_USER-UEF OFF CACHE BOOL "" FORCE)
-set(PKG_USER-VTK OFF CACHE BOOL "" FORCE)
diff --git a/cmake/presets/mingw-cross.cmake b/cmake/presets/mingw-cross.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..b53e5a7b93f8df22b3041fa83ad9314a99de6945
--- /dev/null
+++ b/cmake/presets/mingw-cross.cmake
@@ -0,0 +1,17 @@
+set(WIN_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
+                 GRANULAR KSPACE MANYBODY MC MISC MOLECULE OPT PERI POEMS QEQ
+                 REPLICA RIGID SHOCK SNAP SPIN SRD VORONOI USER-ATC USER-AWPMD
+                 USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS USER-DIFFRACTION
+                 USER-DPD USER-DRUDE USER-EFF USER-FEP USER-INTEL USER-MANIFOLD
+                 USER-MEAMC USER-MESO USER-MISC USER-MOFFF USER-MOLFILE USER-OMP
+                 USER-PHONON USER-PTM USER-QTB USER-REAXC USER-SDPD USER-SMD
+                 USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-YAFF)
+
+foreach(PKG ${WIN_PACKAGES})
+  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
+endforeach()
+
+set(DOWNLOAD_VORO ON CACHE BOOL "" FORCE)
+set(DOWNLOAD_EIGEN3 ON CACHE BOOL "" FORCE)
+set(LAMMPS_MEMALIGN "0" CACHE STRING "" FORCE)
+set(INTEL_LRT_MODE "none" CACHE STRING "" FORCE)
diff --git a/cmake/presets/minimal.cmake b/cmake/presets/minimal.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..e9ce6d6103fb6d128373cacb0e65f8dcdce8e407
--- /dev/null
+++ b/cmake/presets/minimal.cmake
@@ -0,0 +1,8 @@
+# preset that turns on just a few, frequently used packages
+# this will be compiled quickly and handle a lot of common inputs.
+
+set(ALL_PACKAGES KSPACE MANYBODY MOLECULE RIGID)
+
+foreach(PKG ${ALL_PACKAGES})
+  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
+endforeach()
diff --git a/cmake/presets/most.cmake b/cmake/presets/most.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..35ad7ba55c688d4bdc371e8ff5a715f8c94a0f78
--- /dev/null
+++ b/cmake/presets/most.cmake
@@ -0,0 +1,15 @@
+# preset that turns on a wide range of packages, some of which require
+# external libraries. Compared to all_on.cmake some more unusual packages
+# are removed. The resulting binary should be able to run most inputs.
+
+set(ALL_PACKAGES ASPHERE CLASS2 COLLOID CORESHELL DIPOLE
+        GRANULAR KSPACE MANYBODY MC MISC MOLECULE OPT PERI
+        PYTHON QEQ REPLICA RIGID SHOCK SRD VORONOI
+        USER-CGDNA USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD
+        USER-DRUDE USER-FEP USER-MEAMC USER-MESO
+        USER-MISC USER-MOFFF USER-OMP USER-PLUMED USER-PHONON USER-REAXC
+        USER-SPH USER-SMD USER-UEF USER-YAFF)
+
+foreach(PKG ${ALL_PACKAGES})
+  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
+endforeach()
diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake
index 4c02fb621030becdcc7a6734ebc976bf974f2a89..c0968a8d8255fbb142f8d1eb8e21e7cf9c13be6b 100644
--- a/cmake/presets/nolib.cmake
+++ b/cmake/presets/nolib.cmake
@@ -1,21 +1,10 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
+# preset that turns off all packages that require some form of external
+# library or special compiler (fortran or cuda) or equivalent.
 
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
+set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MPIIO MSCG PYTHON
+        VORONOI USER-ADIOS USER-ATC USER-AWPMD USER-H5MD USER-LB
+        USER-MOLFILE USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP
+        USER-SCAFACOS USER-SMD USER-VTK)
 
 foreach(PKG ${PACKAGES_WITH_LIB})
   set(PKG_${PKG} OFF CACHE BOOL "" FORCE)
diff --git a/cmake/presets/std.cmake b/cmake/presets/std.cmake
deleted file mode 100644
index 4176aba44e7cd947d56a0b01732a5aeca7a35259..0000000000000000000000000000000000000000
--- a/cmake/presets/std.cmake
+++ /dev/null
@@ -1,22 +0,0 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
-
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
-
-foreach(PKG ${STANDARD_PACKAGES})
-  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
-endforeach()
diff --git a/cmake/presets/std_nolib.cmake b/cmake/presets/std_nolib.cmake
deleted file mode 100644
index aa067f2ba0e9f5ab8cba281a6ac9597d944f7dfc..0000000000000000000000000000000000000000
--- a/cmake/presets/std_nolib.cmake
+++ /dev/null
@@ -1,26 +0,0 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
-
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
-
-foreach(PKG ${STANDARD_PACKAGES})
-  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
-endforeach()
-
-foreach(PKG ${PACKAGES_WITH_LIB})
-  set(PKG_${PKG} OFF CACHE BOOL "" FORCE)
-endforeach()
diff --git a/cmake/presets/user.cmake b/cmake/presets/user.cmake
deleted file mode 100644
index af606203e993c173340af918a0ae6e8956cb582b..0000000000000000000000000000000000000000
--- a/cmake/presets/user.cmake
+++ /dev/null
@@ -1,22 +0,0 @@
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
-                      GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MEAM MISC
-                      MOLECULE MPIIO MSCG OPT PERI POEMS
-                      PYTHON QEQ REAX REPLICA RIGID SHOCK SNAP SRD VORONOI)
-
-set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS
-                  USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
-                  USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
-                  USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
-                  USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
-                  USER-UEF USER-VTK)
-
-set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
-                      USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
-
-set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
-
-foreach(PKG ${USER_PACKAGES})
-  set(PKG_${PKG} ON CACHE BOOL "" FORCE)
-endforeach()
diff --git a/doc/.gitignore b/doc/.gitignore
index b20157057c1656b6dec13dfa8b106fe4173eaaae..88679898a89e26d53d8a43f4d7a04a60260ecc93 100644
--- a/doc/.gitignore
+++ b/doc/.gitignore
@@ -1,3 +1,4 @@
+/old
 /html
 /latex
 /spelling
diff --git a/doc/Makefile b/doc/Makefile
index d117c2d98c0baed8f503f5dbbce13e92af2d994a..5c679440b82543c515e1ce9f258497c7b8df2d12 100644
--- a/doc/Makefile
+++ b/doc/Makefile
@@ -39,7 +39,7 @@ help:
 	@echo "Please use \`make <target>' where <target> is one of"
 	@echo "  html       create HTML doc pages in html dir"
 	@echo "  pdf        create Developer.pdf and Manual.pdf in this dir"
-	@echo "  old        create old-style HTML doc pages in old dir"
+	@echo "  old        create old-style HTML doc pages and Manual.pdf in old dir"
 	@echo "  fetch      fetch HTML and PDF files from LAMMPS web site"
 	@echo "  epub       create ePUB format manual for e-book readers"
 	@echo "  mobi       convert ePUB to MOBI format manual for e-book readers (e.g. Kindle)"
@@ -56,7 +56,7 @@ clean-all: clean
 	rm -rf $(BUILDDIR)/* utils/txt2html/txt2html.exe
 
 clean:
-	rm -rf $(RSTDIR) html old epub
+	rm -rf $(RSTDIR) html old epub latex
 	rm -rf spelling
 
 clean-spelling:
@@ -115,21 +115,44 @@ mobi: epub
 	@ebook-convert LAMMPS.epub LAMMPS.mobi
 	@echo "Conversion finished. The MOBI manual file is created."
 
-pdf: utils/txt2html/txt2html.exe
+pdf: $(OBJECTS) $(ANCHORCHECK)
 	@(\
-		set -e; \
 		cd src/Developer; \
 		pdflatex developer; \
 		pdflatex developer; \
 		mv developer.pdf ../../Developer.pdf; \
-		cd ..; \
-		../utils/txt2html/txt2html.exe -b *.txt; \
-		htmldoc --batch lammps.book;          \
-		for s in `echo *.txt | sed -e 's/ \(pairs\|bonds\|angles\|dihedrals\|impropers\|commands_list\|fixes\|computes\).txt/ /g' | sed -e 's,\.txt,\.html,g'` ; \
-			do grep -q ^$$s lammps.book || \
-			echo WARNING: doc file $$s missing in src/lammps.book; done; \
-		rm *.html; \
+		cd ../../; \
+	)
+	@(\
+                . $(VENV)/bin/activate ;\
+                cp -r src/* $(RSTDIR)/ ;\
+                sphinx-build $(SPHINXEXTRA) -b latex -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) latex ;\
+                echo "############################################" ;\
+                doc_anchor_check src/*.txt ;\
+                echo "############################################" ;\
+                deactivate ;\
 	)
+	@cd latex && \
+          sed 's/latexmk -pdf -dvi- -ps-/pdflatex/g' Makefile > temp && \
+	  mv temp Makefile && \
+	  sed 's/\\begin{equation}//g' LAMMPS.tex > tmp.tex && \
+	  mv tmp.tex LAMMPS.tex && \
+	  sed 's/\\end{equation}//g' LAMMPS.tex > tmp.tex && \
+	  mv tmp.tex LAMMPS.tex && \
+	  make && \
+	  make && \
+	  mv LAMMPS.pdf ../Manual.pdf && \
+	  cd ../;
+	@rm -rf latex/_sources
+	@rm -rf latex/PDF
+	@rm -rf latex/USER
+	@cp -r src/PDF latex/PDF
+	@cp -r src/USER latex/USER
+	@rm -rf latex/PDF/.[sg]*
+	@rm -rf latex/USER/.[sg]*
+	@rm -rf latex/USER/*/.[sg]*
+	@rm -rf latex/USER/*/*.[sg]*
+	@echo "Build finished. Manual.pdf and Developer.pdf are in this directory."
 
 old: utils/txt2html/txt2html.exe
 	@rm -rf old
@@ -139,6 +162,18 @@ old: utils/txt2html/txt2html.exe
 	  cp Eqs/*.jpg ../old/Eqs; \
 	  cp JPG/* ../old/JPG; \
 	  cp PDF/* ../old/PDF;
+	@(      set -e;\
+		cd src/Developer; \
+		pdflatex developer; \
+		pdflatex developer; \
+		mv developer.pdf ../../old/Developer.pdf; \
+		cd ../../old; \
+	        for s in `echo ../src/*.txt | sed -e 's,\.\./src/,,g' -e 's/ \(pairs\|bonds\|angles\|dihedrals\|impropers\|commands_list\|fixes\|computes\).txt/ /g' | sed -e 's,\.txt,\.html,g'` ; \
+			do grep -q ^$$s ../src/lammps.book || \
+			echo WARNING: doc file $$s missing in src/lammps.book; done; \
+		htmldoc --batch ../src/lammps.book;          \
+	)
+
 
 fetch:
 	@rm -rf html_www Manual_www.pdf Developer_www.pdf
diff --git a/doc/lammps.1 b/doc/lammps.1
index d49650bfaad03678902a67c1937db7264f758004..7ba31bfd0637b32d2d51c65d30216edbf5d4ddd1 100644
--- a/doc/lammps.1
+++ b/doc/lammps.1
@@ -1,40 +1,259 @@
-.TH LAMMPS "2018-08-22"
+.TH LAMMPS "18 June 2019" "2019-06-18"
 .SH NAME
 .B LAMMPS
 \- Molecular Dynamics Simulator.
 
 .SH SYNOPSIS
-.B lmp 
--in in.file
+.B lmp
+\-in <input file> [OPTIONS] ...
 
 or
 
-mpirun \-np 2 
-.B lmp 
--in in.file
+mpirun \-np 2
+.B lmp
+<input file> [OPTIONS] ...
+
+or
+
+.B lmp
+\-r2data file.restart file.data
 
 .SH DESCRIPTION
-.B LAMMPS 
-LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale 
-Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft 
-materials (biomolecules, polymers) and solid-state materials (metals, 
-semiconductors) and coarse-grained or mesoscopic systems. It can be used to 
-model atoms or, more generically, as a parallel particle simulator at the 
+.B LAMMPS
+is a classical molecular dynamics code, and an acronym for \fBL\fRarge-scale
+\fBA\fRtomic/\fBM\fRolecular \fBM\fRassively \fBP\fRarallel \fBS\fRimulator.
+.B LAMMPS
+has potentials for soft
+materials (bio-molecules, polymers) and solid-state materials (metals,
+semiconductors) and coarse-grained or mesoscopic systems. It can be used to
+model atoms or, more generically, as a parallel particle simulator at the
 atomic, meso, or continuum scale.
 
-See http://lammps.sandia.gov/ for documentation.
+See https://lammps.sandia.gov/ for more information and documentation.
+
+.SH EXECUTABLE NAME
+The
+.B LAMMPS
+executable can have different names depending on how it was configured,
+compiled and installed. It will be either
+.B lmp
+or
+.B lmp_<machine name>.
+The <machine name> suffix corresponds to the (machine specific) makefile
+used to compile
+.B LAMMPS
+when using the conventional build process. When building
+.B LAMMPS
+using
+.B CMake
+this <machine name> parameter can be chosen arbitrarily at configuration
+time, but more common is to just use
+.B lmp
+without a suffix. In this manpage we will use
+.B lmp
+to represent any of those names.
 
 .SH OPTIONS
-See https://lammps.sandia.gov/doc/Run_options.html for details on
-command-line options.
 
-.SH COPYRIGHT 
-© 2003--2018 Sandia Corporation
+.TP
+\fB\-h\fR or \fB\-help\fR
+Print a brief help summary and a list of settings and options compiled
+into this executable. It also explicitly lists all LAMMPS styles
+(atom_style, fix, compute, pair_style, bond_style, etc) available in
+the specific executable. This can tell you if the command you want to
+use was included via the appropriate package at compile time.
+LAMMPS will print the info and immediately exit if this switch is used.
+.TP
+\fB\-e\fR or \fB\-echo\fR
+Set the style of command echoing. The style can be
+.B none
+or
+.B screen
+or
+.B log
+or
+.B both.
+Depending on the style, each command read from the input script will
+be echoed to the screen and/or logfile. This can be useful to figure
+out which line of your script is causing an input error.
+The default value is
+.B log.
+.TP
+\fB\-i <input file>\fR or \fB\-in <input file>\fR
+Specify a file to use as an input script. If it is not specified,
+LAMMPS reads its script from standard input. This is a required
+switch when running LAMMPS in multi-partition mode.
+.TP
+\fB\-k on/off [keyword value]\fR or \fB\-kokkos on/off [keyword value]\fR
+Enable or disable general KOKKOS support, as provided by the KOKKOS
+package.  Even if LAMMPS is built with this package, this switch must
+be set to \fBon\fR to enable running with KOKKOS-enabled styles. More
+details on this switch and its optional keyword value pairs are discussed
+at: https://lammps.sandia.gov/doc/Run_options.html
+.TP
+\fB\-l <log file>\fR or \fB\-log <log file>\fR
+Specify a log file for LAMMPS to write status information to.
+The default value is "log.lammps". If the file name "none" is used,
+\fBLAMMPS\fR will not write a log file. In multi-partition mode only
+some high-level all-partition information is written to the "<log file>"
+file, the remainder is written in a per-partition file "<log file>.N"
+with "N" being the respective partition number, unless overridden
+by the \-plog flag (see below).
+.TP
+\fB\-m <number>\fR or \fB\-mpicolor <number>\fR
+If used, this must be the first command-line argument after the
+.B LAMMPS
+executable name. It is only used when
+.B LAMMPS
+is launched by an mpirun command which also launches one or more
+other executable(s) at the same time.
+.B LAMMPS
+and the other executable(s) perform an MPI_Comm_split(), each with
+their own different colors, to split the MPI_COMM_WORLD communicator
+for each executable to the subset of processors they are supposed to
+be actually running on. Currently, this is only used in
+.B LAMMPS
+to perform client/server messaging with another application.
+.B LAMMPS
+can act as either a client or server (or both).
+.TP
+\fB\-nc\fR or \fB\-nocite\fR
+Disable writing the "log.cite" file which is normally written to
+list references for specific cite-able features used during a
+.B LAMMPS
+run.
+.TP
+\fB\-pk <style> [options]\fR or \fB\-package <style> [options]\fR
+Invoke the \fBpackage\R command with <style> and optional arguments.
+The syntax is the same as if the command appeared in an input script.
+For example "-pk gpu 2" is the same as "package gpu 2" in the input
+script. The possible styles and options are discussed in the
+.B LAMMPS
+manual for the "package" command. This switch can be used multiple
+times, e.g. to set options for the USER-INTEL and USER-OMP packages
+when used together. Along with the "-sf" or "-suffix" switch, this
+is a convenient mechanism for invoking accelerator packages and their
+options without having to edit an input script.
+.TP
+\fB\-p\fR or \fB\-partition\fR
+Invoke
+.B LAMMPS
+in multi-partition mode. Without this,
+.B LAMMPS
+uses all P processors allocated via MPI to run a single simulation.
+If this switch is used, the P processors are split into separate
+partitions and each partition runs its own simulation. The arguments
+to the switch specify the number of processors in each partition.
+Arguments of the form "MxN" mean M partitions, each with N processors.
+Arguments of the form "N" mean a single partition with N processors.
+The sum of processors in all partitions must be equal P. Thus the
+command “-partition 8x2 4 5” has 10 partitions and runs on a total
+of 25 processors.  Running with multiple partitions is required for
+multi-replica simulations, where each replica runs on on one or more
+few processors.
+.TP
+\fB\-pl <basename>\fR or \fB\-plog <basename>\fR
+Specify the base name for the per-partition log files in multi-partition
+runs, where partition N writes log information to <basename>.N.
+If basename is set to "none", then no per-partition log files are created.
+This overrides the name specified in the \-log command-line option.
+.TP
+\fB\-ps <basename>\fR or \fB\-pscreen <basename>\fR
+Specify the base name for the per-partition screen files in multi-partition
+runs, where partition N writes screen output to <basename>.N.
+If basename is set to "none", then no per-partition screen files are created.
+The default value is "screen" or whatever is set by the \-screen flag.
+.TP
+\fB\-r2data <restart file> [remap] <data file>\fR or
+\fB\-restart2data <restart file> [remap] <data file>\fR
+Convert <restart file> previously written by
+.B LAMMPS
+into a data file and immediately exit. This option has replaced the
+external restart2data executable. Following <restart file>
+argument, the optional word "remap" may be used. This has the
+same effect like adding it to a "read_restart" command.
+The syntax following the <data file> name is identical to the
+arguments of the "write_data" command. See the
+.B LAMMPS
+manual for details on either of the two commands.
+.TP
+\fB\-r2dump <restart file> [remap] <dump file>\fR or
+\fB\-restart2dump <restart file> [remap] <dump file>\fR
+Convert <restart file> previously written by
+.B LAMMPS
+into a dump file and immediately exit. Following <restart file>
+argument, the optional word "remap" may be used. This has the
+same effect like adding it to a "read_restart" command.
+The syntax following the <dump file> name is identical to the
+arguments of the "dump" command. See the
+.B LAMMPS
+manual for details on either of the two commands.
+.TP
+\fB\-sc <file name>\fR or \fB\-screen <file name>\fR
+Specify a file for
+.B LAMMPS
+to write its screen information to. By default, this will be
+the standard output. If <file name> is "none", (most) screen
+output will be suppressed.  In multi-partition mode only
+some high-level all-partition information is written to the
+screen or "<file name>" file, the remainder is written in a
+per-partition file "screen.N" or "<file name>.N" 
+with "N" being the respective partition number, and unless
+overridden by the \-pscreen flag (see above).
+.TP
+\fB\-sf <suffix>\fR or \fB\-suffix <suffix>\fR
+Use variants of various styles in the input, if they exist. This is
+achieved by transparently trying to convert a style named <my/style>
+into <my/style/suffix> if that latter style exists, but otherwise
+fall back to the former. The most useful suffixes are  "gpu",
+"intel", "kk", "omp", "opt", or "hybrid". These refer to styles from
+optional packages that LAMMPS can be built with. The hybrid suffix is
+special, as it enables, having two suffixes tried (e.g. first "intel"
+and then "omp") and thus requires two arguments. Along with the
+"-package" command-line switch, this is a convenient mechanism for
+invoking styles from accelerator packages and setting their options
+without having to edit an input script.
+
+See https://lammps.sandia.gov/doc/Run_options.html for additional
+details and discussions on command-line options.
+
+.SH LAMMPS BASICS
+LAMMPS executes by reading commands from a input script (text file),
+one line at a time.  When the input script ends, LAMMPS exits.  Each
+command causes LAMMPS to take some action.  It may set or change an
+internal, read and parse a file, or run a simulation.  Most commands
+have default settings, which means you only need to use the command
+if you wish to change the default.
+
+The ordering of commands in an input script is usually not very important
+unless a command like "run" is encountered, which starts some calculation
+using the current internal state. Also, if a "pair_style" or "bond_style"
+other similar style command is issued that has a different name from what
+was previously active, it will replace the previous style and wipe out
+all corresponding "pair_coeff" or "bond_coeff" or equivalent settings.
+Some commands are only valid when they follow other commands.  For
+example you cannot set the temperature of a group of atoms until atoms
+have been defined and a group command is used to define which atoms
+belong to the group of a given name. Sometimes command B will use values
+that can be set by command A. This means command A must precede command
+B in the input to have the desired effect. Some commands must be issued
+.B before
+the simulation box is defined and others can only be issued
+.B after.
+Many input script errors are detected by
+.B LAMMPS
+and an ERROR or WARNING message is printed.  The documentation for
+each command lists restrictions on how the command can be used, and
+the chapter on errors in the
+.B LAMMPS
+manual gives some additional information about error messages, if possible.
+
+.SH COPYRIGHT
+© 2003--2019 Sandia Corporation
 
 This package is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
+it under the terms of the GNU General Public License version 2 as
+published by the Free Software Foundation.
 
 This package is distributed in the hope that it will be useful,
 but WITHOUT ANY WARRANTY; without even the implied warranty of
diff --git a/doc/msi2lmp.1 b/doc/msi2lmp.1
new file mode 100644
index 0000000000000000000000000000000000000000..08a442e1de2718288f10dc1a2c3fbece331ddd32
--- /dev/null
+++ b/doc/msi2lmp.1
@@ -0,0 +1,111 @@
+.TH MSI2LMP "v3.9.9" "2018-11-05"
+.SH NAME
+.B MSI2LMP
+\- Converter for Materials Studio files to LAMMPS
+
+.SH SYNOPSIS
+.B msi2lmp
+<ROOTNAME> [-class <I|1|II|2|O|0>] [-frc <path to frc file>] [-print #] [-ignore] [-nocenter] [-oldstyle] [-shift <x> <y> <z>]
+
+.SH DESCRIPTION
+.PP
+.B MSI2LMP
+is a tool bundled with LAMMPS to aide in the conversion of simulation
+inputs from Biovia's Materials Studio software for use with LAMMPS.
+It is a standalone program that generates a LAMMPS data file based on
+the information in an MS .car file (atom coordinates), an .mdf file
+(molecular topology and atom types) and an .frc (forcefield parameters)
+file.  The .car and .mdf files are specific to a molecular system while
+the .frc file is specific to a forcefield (variant).  The only coherency
+needed between .frc and .car/.mdf files are the atom types.
+.PP
+
+.SH OPTIONS
+.TP
+\fB\<ROOTNAME>\fR
+This has to be the first argument and is a
+.B mandatory
+argument. It defines the root of the file names; i.e. for a
+.B <ROOTNAME>
+of benzene, you have to provide the files 'benzene.car' and 'benzene.mdf'
+in the current working directory.
+.B msi2lmp
+will then read and process those files according to its remaining settings.
+All other settins are optional and have defaults as listed.
+.TP
+\fB\-c <I,1,II,2,O,0>\fR, \fB\-class <I,1,II,2,O,0>\fR
+The \-c or \-class option selects the force field class, i.e which pair
+styles and bond styles and so on are required in the LAMMPS input file.
+Class I or class 1 uses similar combination of functional forms as Amber
+and Charmm force field and support the force fields 
+.B cvff
+and
+.B clayff.
+Class II or class 2 corresponds to the more complex force fields
+.B COMPASS
+and
+.B pcff.
+Class O or class 0 finally is an experimental and incomplete extension
+and supports generating output for
+.B OPLS-AA
+.TP
+\fB\-f <ffname>\fR, \fB\-frc <ffname>\fR
+The \-c or \-frc option allows the selection of the force field parameter
+file
+.B<ffname>.frc.
+Valid names for <ffname> with this distribution are: cvff, clayff, cvff_aug,
+pcff, compass_published, cff91, and oplsaa. If the argument is a pathname,
+i.e. it starts with a '.' or a '/', then this absolute path is used to read
+the force field, otherwise
+.B msi2lmp
+will look in the folder pointed to by the environment variable
+$MSI2LMP_LIBRARY. If the variable is not set, then it will look in the current
+directory. The extension '.frc' is appended, if missing.
+Default is to look for the cvff.frc force field file.
+.TP
+\fB\-p <loglevel>\fR, \fB\-print <loglevel>\fR,
+Selects the amount of information messages about the progress of the
+conversion printed to the screen.
+.B <loglevel>
+can be a number from 0 (silent except for errors) to 3 (very detailed).
+.TP
+\fB\-i\fR, \fB\-ignore\fR,
+Ignore errors about missing parameters and use 0.0 for the respective
+force constants making these no-ops. Is correct to be used for a few
+molecules and settings, but often an indication, that either the atom
+type assignment have errors, or the force field file is missing entries.
+.TP
+\fB\-n\fR, \fB\-nocenter\fR,
+Do not center the box around the (geometrical) center of the atoms,
+but around the origin. Default is to recenter.
+.TP
+\fB\-o\fR, \fB\-oldstyle\fR,
+Write out a data file without style hint comments to be compatible
+with old LAMMPS versions. Default is to write out those comments.
+.TP
+\fB-s <x> <y> <z>\fR, \fB-shift <x> <y> <z>\fR,
+Shift the entire system (box and coordinates) by a vector
+(default: 0.0 0.0 0.0).
+.TP
+
+.SH EXAMPLES
+
+msi2lmp benzene -c 2 -p 1 -f ../frc_files/pcff.frc
+
+msi2lmp benzene-class1 -c I
+
+msi2lmp decane -c 0 -f oplsaa
+
+
+.SH COPYRIGHT
+© 2003--2019 Sandia Corporation
+
+This package is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License version 2 as
+published by the Free Software Foundation.
+
+This package is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
diff --git a/doc/src/Build_cmake.txt b/doc/src/Build_cmake.txt
index 5c29e1128041c30c46d7a2d5039456704ef5f1fa..a16ba995a85c271dac0f4e402b98d13ae0fb6ca1 100644
--- a/doc/src/Build_cmake.txt
+++ b/doc/src/Build_cmake.txt
@@ -28,20 +28,29 @@ Makefile(s). Example:
 
 cd lammps                        # change to the LAMMPS distribution directory
 mkdir build; cd build            # create a new directory (folder) for build
-cmake ../cmake \[options ...\]   # configuration with (command-line) cmake
+cmake \[options ...\] ../cmake     # configuration with (command-line) cmake
 make                             # compilation :pre
 
 The cmake command will detect available features, enable selected
-packages and options, and will generate the build environment.  The make
-command will then compile and link LAMMPS, producing (by default) an
-executable called "lmp" and a library called "liblammps.a" in the
-"build" folder.
+packages and options, and will generate the build environment.  By default
+this build environment will be created for "Unix Makefiles" on most
+platforms and particularly on Linux.  However, alternate build tools
+(e.g. Ninja) and support files for Integrated Development Environments
+(IDE) like Eclipse, CodeBlocks, or Kate can be generated, too. This is
+selected via the "-G" command line flag. For the rest of the documentation
+we will assume that the build environment is generated for makefiles
+and thus the make command will be used to compile and link LAMMPS as
+indicated above, producing (by default) an executable called "lmp" and
+a library called "liblammps.a" in the "build" folder.  When generating
+a build environment for the "Ninja" build tool, the build command would
+be "ninja" instead of "make".
 
 If your machine has multiple CPU cores (most do these days), using a
 command like "make -jN" (with N being the number of available local
 CPU cores) can be much faster.  If you plan to do development on
 LAMMPS or need to re-compile LAMMPS repeatedly, installation of the
-ccache (= Compiler Cache) software may speed up compilation even more.
+ccache (= Compiler Cache) software may speed up repeated compilation
+even more.
 
 After compilation, you can optionally copy the LAMMPS executable and
 library into your system folders (by default under $HOME/.local) with:
@@ -108,7 +117,8 @@ command-line options.  Several useful ones are:
 -D CMAKE_BUILD_TYPE=type      # type = Release or Debug
 -G output                     # style of output CMake generates
 -DVARIABLE=value              # setting for a LAMMPS feature to enable
--D VARIABLE=value             # ditto, but cannot come after CMakeLists.txt dir :pre
+-D VARIABLE=value             # ditto, but cannot come after CMakeLists.txt dir
+-C path/to/preset/file        # load some CMake settings before configuring :pre
 
 All the LAMMPS-specific -D variables that a LAMMPS build supports are
 described on the pages linked to from the "Build"_Build.html doc page.
diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 09841bd9d481becd68ad7f4a85641d6b03a56c37..3fc23c5618105069aeb19299e2e6a58465c94692 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -30,13 +30,13 @@ This is the list of packages that may require additional steps.
 "KIM"_#kim,
 "KOKKOS"_#kokkos,
 "LATTE"_#latte,
-"MEAM"_#meam,
 "MESSAGE"_#message,
 "MSCG"_#mscg,
 "OPT"_#opt,
 "POEMS"_#poems,
 "PYTHON"_#python,
 "VORONOI"_#voronoi,
+"USER-ADIOS"_#user-adios,
 "USER-ATC"_#user-atc,
 "USER-AWPMD"_#user-awpmd,
 "USER-COLVARS"_#user-colvars,
@@ -81,17 +81,19 @@ which GPU hardware to build for.
 
 [CMake build]:
 
--D GPU_API=value      # value = opencl (default) or cuda
--D GPU_PREC=value     # precision setting
-                      # value = double or mixed (default) or single
--D OCL_TUNE=value     # hardware choice for GPU_API=opencl
-                      # generic (default) or intel (Intel CPU) or fermi, kepler, cypress (NVIDIA)
--D GPU_ARCH=value     # primary GPU hardware choice for GPU_API=cuda
-                      # value = sm_XX, see below
-                      # default is Cuda-compiler dependent, but typically sm_20
--D CUDPP_OPT=value    # optimization setting for GPU_API=cuda
-                      # enables CUDA Performance Primitives Optimizations
-                      # yes (default) or no :pre
+-D GPU_API=value          # value = opencl (default) or cuda
+-D GPU_PREC=value         # precision setting
+                          # value = double or mixed (default) or single
+-D OCL_TUNE=value         # hardware choice for GPU_API=opencl
+                          # generic (default) or intel (Intel CPU) or fermi, kepler, cypress (NVIDIA)
+-D GPU_ARCH=value         # primary GPU hardware choice for GPU_API=cuda
+                          # value = sm_XX, see below
+                          # default is Cuda-compiler dependent, but typically sm_20
+-D CUDPP_OPT=value        # optimization setting for GPU_API=cuda
+                          # enables CUDA Performance Primitives Optimizations
+                          # value = yes (default) or no
+-D CUDA_MPS_SUPPORT=value # enables some tweaks required to run with active nvidia-cuda-mps daemon
+                          # value = yes or no (default) :pre
 
 GPU_ARCH settings for different GPU hardware is as follows:
 
@@ -168,39 +170,33 @@ used to build the GPU library.
 
 KIM package :h4,link(kim)
 
-To build with this package, the KIM library must be downloaded and
-built on your system.  It must include the KIM models that you want to
-use with LAMMPS.
+To build with this package, the KIM library with API v2 must be downloaded
+and built on your system.  It must include the KIM models that you want to
+use with LAMMPS. If you want to use the "kim_query"_kim_query.html
+command, you also need to have libcurl installed with the matching
+development headers and the curl-config tool.
 
 Note that in LAMMPS lingo, a KIM model driver is a pair style
 (e.g. EAM or Tersoff).  A KIM model is a pair style for a particular
 element or alloy and set of parameters, e.g. EAM for Cu with a
-specific EAM potential file.  Also note that installing the KIM API
-library with all its models, may take around 30 min to build.  Of
-course you only need to do that once.
+specific EAM potential file.  Also note that downloading and installing
+the KIM API library with all its models, may take a long time (10s of
+minutes to hours) to build.  Of course you only need to do that once.
 
 See the list of KIM model drivers here:
-https://openkim.org/kim-items/model-drivers/alphabetical
+https://openkim.org/browse/model-drivers/alphabetical
 
 See the list of all KIM models here:
-https://openkim.org/kim-items/models/by-model-drivers
-
-See the list of example KIM models included by default here:
-https://openkim.org/kim-api on the "What is in the KIM API source
-package?" page.
+https://openkim.org/browse/models/by-model-drivers
 
 [CMake build]:
 
--D DOWNLOAD_KIM=value    # download OpenKIM API v1 for build, value = no (default) or yes
--D KIM_LIBRARY=path      # KIM library file (only needed if a custom location)
--D KIM_INCLUDE_DIR=path  # KIM include directory (only needed if a custom location) :pre
+-D DOWNLOAD_KIM=value           # download OpenKIM API v2 for build, value = no (default) or yes :pre
 
 If DOWNLOAD_KIM is set, the KIM library will be downloaded and built
 inside the CMake build directory.  If the KIM library is already on
-your system (in a location CMake cannot find it), KIM_LIBRARY is the
-filename (plus path) of the KIM library file, not the directory the
-library file is in.  KIM_INCLUDE_DIR is the directory the KIM include
-file is in.
+your system (in a location CMake cannot find it), set the PKG_CONFIG_PATH
+environment variable so that libkim-api can be found.
 
 [Traditional make]:
 
@@ -214,8 +210,8 @@ make lib-kim args="-b "   # (re-)install KIM API lib with only example models
 make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001"  # ditto plus one model
 make lib-kim args="-b -a everything"     # install KIM API lib with all models
 make lib-kim args="-n -a EAM_Dynamo_Ackland_W__MO_141627196590_002"       # add one model or model driver
-make lib-kim args="-p /usr/local/kim-api" # use an existing KIM API installation at the provided location
-make lib-kim args="-p /usr/local/kim-api -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # ditto but add one model or driver :pre
+make lib-kim args="-p /usr/local" # use an existing KIM API installation at the provided location
+make lib-kim args="-p /usr/local -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # ditto but add one model or driver :pre
 
 :line
 
@@ -250,7 +246,10 @@ Maxwell50 = NVIDIA Maxwell generation CC 5.0
 Maxwell52 = NVIDIA Maxwell generation CC 5.2
 Maxwell53 = NVIDIA Maxwell generation CC 5.3
 Pascal60 = NVIDIA Pascal generation CC 6.0
-Pascal61 = NVIDIA Pascal generation CC 6.1 :ul
+Pascal61 = NVIDIA Pascal generation CC 6.1
+Volta70 = NVIDIA Volta generation CC 7.0
+Volta72 = NVIDIA Volta generation CC 7.2
+Turing75 = NVIDIA Turing generation CC 7.5 :ul
 
 [CMake build]:
 
@@ -351,49 +350,6 @@ the compiler you use on your system to build LATTE.
 
 :line
 
-MEAM package :h4,link(meam)
-
-NOTE: the use of the MEAM package is discouraged, as it has been
-superseded by the USER-MEAMC package, which is a direct translation of
-the Fortran code in the MEAM library to C++. The code in USER-MEAMC
-should be functionally equivalent to the MEAM package, fully supports
-use of "pair_style hybrid"_pair_hybrid.html (the MEAM package does
-not), and has optimizations that make it significantly faster than the
-MEAM package.
-
-[CMake build]:
-
-No additional settings are needed besides "-D PKG_MEAM=yes".
-
-[Traditional make]:
-
-Before building LAMMPS, you must build the MEAM library in lib/meam.
-You can build the MEAM library manually if you prefer; follow the
-instructions in lib/meam/README.  You can also do it in one step from
-the lammps/src dir, using a command like these, which simply invoke
-the lib/meam/Install.py script with the specified args:
-
-make lib-meam                  # print help message
-make lib-meam args="-m mpi"    # build with default Fortran compiler compatible with your MPI library
-make lib-meam args="-m serial" # build with compiler compatible with "make serial" (GNU Fortran)
-make lib-meam args="-m ifort"  # build with Intel Fortran compiler using Makefile.ifort :pre
-
-NOTE: You should test building the MEAM library with both the Intel
-and GNU compilers to see if a simulation runs faster with one versus
-the other on your system.
-
-The build should produce two files: lib/meam/libmeam.a and
-lib/meam/Makefile.lammps.  The latter is copied from an existing
-Makefile.lammps.* and has settings needed to link C++ (LAMMPS) with
-Fortran (MEAM library).  Typically the two compilers used for LAMMPS
-and the MEAM library need to be consistent (e.g. both Intel or both
-GNU compilers).  If necessary, you can edit/create a new
-lib/meam/Makefile.machine file for your system, which should define an
-EXTRAMAKE variable to specify a corresponding Makefile.lammps.machine
-file.
-
-:line
-
 MESSAGE package :h4,link(message)
 
 This package can optionally include support for messaging via sockets,
@@ -576,6 +532,32 @@ the lib/voronoi/Makefile.lammps file.
 
 :line
 
+USER-ADIOS package :h4,link(user-adios)
+
+The USER-ADIOS package requires the "ADIOS I/O library"_https://github.com/ornladios/ADIOS2,
+version 2.3.1 or newer. Make sure that you have ADIOS built either with or
+without MPI to match if you build LAMMPS with or without MPI.
+ADIOS compilation settings for LAMMPS are automatically detected, if the PATH
+and LD_LIBRARY_PATH environment variables have been updated for the local ADIOS
+installation and the instructions below are followed for the respective build systems.
+
+[CMake build]:
+
+-D ADIOS2_DIR=path        # path is where ADIOS 2.x is installed
+-D PKG_USER-ADIOS=yes     :pre
+
+[Traditional make]:
+
+Turn on the USER-ADIOS package before building LAMMPS. If the ADIOS 2.x software is installed in PATH, there is nothing else to do:
+
+make yes-user-adios                       :pre
+
+otherwise, set ADIOS2_DIR environment variable when turning on the package:
+
+ADIOS2_DIR=path make yes-user-adios   # path is where ADIOS 2.x is installed :pre
+
+:line
+
 USER-ATC package :h4,link(user-atc)
 
 The USER-ATC package requires the MANYBODY package also be installed.
@@ -836,23 +818,34 @@ file.
 USER-INTEL package :h4,link(user-intel)
 
 To build with this package, you must choose which hardware you want to
-build for, either Intel CPUs or Intel KNLs.  You should also typically
-"install the USER-OMP package"_#user-omp, as it can be used in tandem
-with the USER-INTEL package to good effect, as explained on the "Speed
-intel"_Speed_intel.html doc page.
+build for, either x86 CPUs or Intel KNLs in offload mode.  You should
+also typically "install the USER-OMP package"_#user-omp, as it can be
+used in tandem with the USER-INTEL package to good effect, as explained
+on the "Speed intel"_Speed_intel.html doc page.
 
 [CMake build]:
 
 -D INTEL_ARCH=value     # value = cpu (default) or knl
--D BUILD_OMP=yes        # also required to build with the USER-INTEl package :pre
+-D INTEL_LRT_MODE=value # value = threads, none, or c++11 :pre
 
-Requires an Intel compiler as well as the Intel TBB and MKL libraries.
+In Long-range thread mode (LRT) a modified verlet style is used, that
+operates the Kspace calculation in a separate thread concurrently to
+other calculations. This has to be enabled in the "package intel"_package.html
+command at runtime. With the setting "threads" it used the pthreads
+library, while c++11 will use the built-in thread support of C++11
+compilers. The option "none" skips compilation of this feature. The
+default is to use "threads" if pthreads is available and otherwise "none".
+
+Best performance is achieved with Intel hardware, Intel compilers, as well as
+the Intel TBB and MKL libraries. However, the code also compiles, links, and
+runs with other compilers and without TBB and MKL.
 
 [Traditional make]:
 
 Choose which hardware to compile for in Makefile.machine via the
 following settings.  See src/MAKE/OPTIONS/Makefile.intel_cpu* and
-Makefile.knl files for examples.
+Makefile.knl files for examples. and src/USER-INTEL/README for
+additional information.
 
 For CPUs:
 
@@ -874,7 +867,17 @@ USER-MOLFILE package :h4,link(user-molfile)
 
 [CMake build]:
 
-No additional settings are needed besides "-D PKG_USER-MOLFILE=yes".
+-D MOLFILE_INCLUDE_DIRS=path   # (optional) path where VMD molfile plugin headers are installed
+-D PKG_USER-MOLFILE=yes     :pre
+
+
+Using "-D PKG_USER-MOLFILE=yes" enables the package, and setting
+"-D MOLFILE_INCLUDE DIRS" allows to provide a custom location for
+the molfile plugin header files. These should match the ABI of the
+plugin files used, and thus one typically sets them to include
+folder of the local VMD installation in use. LAMMPS ships with a
+couple of default header files that correspond to a popular VMD
+version, usually the latest release.
 
 [Traditional make]:
 
@@ -883,7 +886,11 @@ loading library libdl.a that is typically present on all systems.  It
 is required for LAMMPS to link with this package.  If the setting is
 not valid for your system, you will need to edit the Makefile.lammps
 file.  See lib/molfile/README and lib/molfile/Makefile.lammps for
-details.
+details. It is also possible to configure a different folder with
+the VMD molfile plugin header files. LAMMPS ships with a couple of
+default headers, but these are not compatible with all VMD versions,
+so it is often best to change this setting to the location of the
+same include files of the local VMD installation in use.
 
 :line
 
diff --git a/doc/src/Build_package.txt b/doc/src/Build_package.txt
index 01c82d724e51a9d452415a495cba9633e048678a..869175e1601a1bd11f4e8c904fc4762188953a59 100644
--- a/doc/src/Build_package.txt
+++ b/doc/src/Build_package.txt
@@ -41,13 +41,13 @@ packages:
 "KIM"_Build_extras.html#kim,
 "KOKKOS"_Build_extras.html#kokkos,
 "LATTE"_Build_extras.html#latte,
-"MEAM"_Build_extras.html#meam,
 "MESSAGE"_Build_extras.html#message,
 "MSCG"_Build_extras.html#mscg,
 "OPT"_Build_extras.html#opt,
 "POEMS"_Build_extras.html#poems,
 "PYTHON"_Build_extras.html#python,
 "VORONOI"_Build_extras.html#voronoi,
+"USER-ADIOS"_Build_extras.html#user-adios,
 "USER-ATC"_Build_extras.html#user-atc,
 "USER-AWPMD"_Build_extras.html#user-awpmd,
 "USER-COLVARS"_Build_extras.html#user-colvars,
@@ -148,26 +148,41 @@ system. Using these files you can enable/disable portions of the
 available packages in LAMMPS. If you need a custom preset you can take
 one of them as a starting point and customize it to your needs.
 
-cmake -C ../cmake/presets/all_on.cmake \[OPTIONS\] ../cmake | enable all packages
-cmake -C ../cmake/presets/all_off.cmake \[OPTIONS\] ../cmake | disable all packages
-cmake -C ../cmake/presets/std.cmake \[OPTIONS\] ../cmake | enable standard packages
-cmake -C ../cmake/presets/user.cmake \[OPTIONS\] ../cmake | enable user packages
-cmake -C ../cmake/presets/std_nolib.cmake \[OPTIONS\] ../cmake | enable standard packages that do not require extra libraries
-cmake -C ../cmake/presets/nolib.cmake \[OPTIONS\] ../cmake | disable all packages that do not require extra libraries
-cmake -C ../cmake/presets/manual_selection.cmake \[OPTIONS\] ../cmake | example of how to create a manual selection of packages :tb(s=|,a=l)
+cmake -C ../cmake/presets/all_on.cmake  \[OPTIONS\] ../cmake |
+      enable all packages |
+cmake -C ../cmake/presets/all_off.cmake \[OPTIONS\] ../cmake |
+      disable all packages |
+cmake -C ../cmake/presets/minimal.cmake \[OPTIONS\] ../cmake |
+      enable just a few core packages |
+cmake -C ../cmake/presets/most.cmake    \[OPTIONS\] ../cmake |
+      enable most common packages |
+cmake -C ../cmake/presets/nolib.cmake   \[OPTIONS\] ../cmake |
+      disable packages that do require extra libraries or tools |
+cmake -C ../cmake/presets/clang.cmake   \[OPTIONS\] ../cmake |
+      change settings to use the Clang compilers by default |
+cmake -C ../cmake/presets/mingw.cmake \[OPTIONS\] ../cmake |
+      enable all packages compatible with MinGW compilers :tb(c=2,s=|,a=l)
 
 NOTE: Running cmake this way manipulates the variable cache in your
-current build directory. You can combine presets and options with
-multiple cmake runs.
+current build directory. You can combine multiple presets and options
+in a single cmake run, or change settings incrementally by running
+cmake with new flags.
 
 [Example:]
 
-# build LAMMPS with all "standard" packages which don't
-# use libraries and enable GPU package
+# build LAMMPS with most commonly used packages, but then remove
+# those requiring additional library or tools, but still enable
+# GPU package and configure it for using CUDA. You can run.
 mkdir build
 cd build
-cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake :pre
+cmake -C ../cmake/presets/most.cmake -C ../cmake/presets/nolib.cmake -D PKG_GPU=on -D GPU_API=cuda ../cmake :pre
 
+# to add another package, say BODY to the previous configuration you can run:
+cmake -D PKG_BODY=on . :pre
+
+# to reset the package selection from above to the default of no packages
+# but leaving all other settings untouched. You can run:
+cmake -C ../cmake/presets/no_all.cmake . :pre
 :line
 
 [Make shortcuts for installing many packages]:
diff --git a/doc/src/Build_settings.txt b/doc/src/Build_settings.txt
index f1db9f0130e6dae7dc1c72a06eff82a01f2f16b6..287cd39ff6ab914be895cb0e5e7c703200553b19 100644
--- a/doc/src/Build_settings.txt
+++ b/doc/src/Build_settings.txt
@@ -57,10 +57,10 @@ FFT_INC = -DFFT_SINGLE        # do not specify for double precision
 FFT_INC = -DFFT_PACK_ARRAY    # or -DFFT_PACK_POINTER or -DFFT_PACK_MEMCPY :pre
                               # default is FFT_PACK_ARRAY if not specified
 
-FFT_INC =    	-I/usr/local/include
+FFT_INC =       -I/usr/local/include
 FFT_PATH =      -L/usr/local/lib
-FFT_LIB =	-lfftw3             # FFTW3 double precision
-FFT_LIB =	-lfftw3 -lfftw3f    # FFTW3 single precision
+FFT_LIB =       -lfftw3             # FFTW3 double precision
+FFT_LIB =       -lfftw3 -lfftw3f    # FFTW3 single precision
 FFT_LIB =       -lmkl_intel_lp64 -lmkl_sequential -lmkl_core  # MKL with Intel compiler
 FFT_LIB =       -lmkl_gf_lp64 -lmkl_sequential -lmkl_core     # MKL with GNU compier :pre
 
@@ -179,8 +179,11 @@ e.g. from 511 to -512, which can cause diagnostics like the
 mean-squared displacement, as calculated by the "compute
 msd"_compute_msd.html command, to be faulty.
 
-Note that the USER-ATC package is not currently compatible with the
-"bigbig" setting.
+Note that the USER-ATC package and the USER-INTEL package are currently
+not compatible with the "bigbig" setting. Also, there are limitations
+when using the library interface. Some functions with known issues
+have been replaced by dummy calls printing a corresponding error rather
+than crashing randomly or corrupting data.
 
 Also note that the GPU package requires its lib/gpu library to be
 compiled with the same size setting, or the link will fail.  A CMake
diff --git a/doc/src/Build_windows.txt b/doc/src/Build_windows.txt
index bf1ec265a1774199b6935fa66fff06aa72fd25b2..b3dbf775c9340c9902279176b5b6dc56a2ce2e11 100644
--- a/doc/src/Build_windows.txt
+++ b/doc/src/Build_windows.txt
@@ -51,11 +51,10 @@ provides a unix/linux interface to low-level Windows functions, so LAMMPS
 can be compiled on Windows. The necessary (minor) modifications to LAMMPS
 are included, but may not always up-to-date for recently added functionality
 and the corresponding new code. A machine makefile for using cygwin for
-the old build system is provided. The CMake build system is untested
-for this; you will have to request that makefiles are generated and
-manually set the compiler.
+the old build system is provided. Using CMake for this mode of compilation
+is untested and not likely to work.
 
-When compiling for Windows [not] set the -DLAMMPS_MEMALIGN define
+When compiling for Windows do [not] set the -DLAMMPS_MEMALIGN define
 in the LMP_INC makefile variable and add -lwsock32 -lpsapi to the linker
 flags in LIB makefile variable. Try adding -static-libgcc or -static or
 both to the linker flags when your resulting LAMMPS Windows executable
@@ -79,7 +78,13 @@ probably the currently best tested and supported way to build LAMMPS
 executables for Windows.  There are makefiles provided for the
 traditional build system, but CMake has also been successfully tested
 using the mingw32-cmake and mingw64-cmake wrappers that are bundled
-with the cross-compiler environment on Fedora machines.
+with the cross-compiler environment on Fedora machines. A CMake preset
+selecting all packages compatible with this cross-compilation build
+is provided. You likely need to disable the GPU package unless you
+download and install the contents of the pre-compiled "OpenCL ICD loader
+library"_https://download.lammps.org/thirdparty/opencl-win-devel.tar.gz
+into your MinGW64 cross-compiler environment. The cross-compilation
+currently will only produce non-MPI serial binaries.
 
 Please keep in mind, though, that this only applies to compiling LAMMPS.
 Whether the resulting binaries do work correctly is no tested by the
diff --git a/doc/src/Commands.txt b/doc/src/Commands.txt
index bb3fab368358bcc3ae6ff0175c0dd81cf549171e..bcbbe524a89ceb554c7ee09ab89d14558b577082 100644
--- a/doc/src/Commands.txt
+++ b/doc/src/Commands.txt
@@ -33,6 +33,11 @@ commands in it are used to define a LAMMPS simulation.
    Commands_bond
    Commands_kspace
 
+.. toctree::
+   :maxdepth: 1
+
+   Commands_removed
+
 END_RST -->
 
 <!-- HTML_ONLY -->
@@ -49,5 +54,7 @@ END_RST -->
 "Bond, angle, dihedral, improper commands"_Commands_bond.html
 "KSpace solvers"_Commands_kspace.html  :all(b)
 
+"Removed commands and packages"_Commands_removed.html  :all(b)
+
 <!-- END_HTML_ONLY -->
 
diff --git a/doc/src/Commands_all.txt b/doc/src/Commands_all.txt
index f137ccffd97aab28298ee4f8ad6e9350f63b4cf6..80f91d529113a550fb34550474572b464b945e96 100644
--- a/doc/src/Commands_all.txt
+++ b/doc/src/Commands_all.txt
@@ -48,12 +48,14 @@ An alphabetic list of all general LAMMPS commands.
 "dimension"_dimension.html,
 "displace_atoms"_displace_atoms.html,
 "dump"_dump.html,
+"dump adios"_dump_adios.html,
 "dump image"_dump_image.html,
-"dump_modify"_dump_modify.html,
 "dump movie"_dump_image.html,
 "dump netcdf"_dump_netcdf.html,
 "dump netcdf/mpiio"_dump_netcdf.html,
 "dump vtk"_dump_vtk.html,
+"dump_modify"_dump_modify.html,
+"dynamical_matrix"_dynamical_matrix.html,
 "echo"_echo.html,
 "fix"_fix.html,
 "fix_modify"_fix_modify.html,
@@ -66,6 +68,7 @@ An alphabetic list of all general LAMMPS commands.
 "improper_style"_improper_style.html,
 "include"_include.html,
 "jump"_jump.html,
+"kim_query"_kim_query.html,
 "kspace_modify"_kspace_modify.html,
 "kspace_style"_kspace_style.html,
 "label"_label.html,
@@ -76,9 +79,11 @@ An alphabetic list of all general LAMMPS commands.
 "minimize"_minimize.html,
 "min_modify"_min_modify.html,
 "min_style"_min_style.html,
+"min_style spin"_min_spin.html,
 "molecule"_molecule.html,
 "ndx2group"_group2ndx.html,
 "neb"_neb.html,
+"neb/spin"_neb_spin.html,
 "neigh_modify"_neigh_modify.html,
 "neighbor"_neighbor.html,
 "newton"_newton.html,
diff --git a/doc/src/Commands_bond.txt b/doc/src/Commands_bond.txt
index 3d889ac08e72e6f5b5acf2c8cb4e9789c9c8594e..40c2d0283a489c49574361d725e90d80c0cd9c2b 100644
--- a/doc/src/Commands_bond.txt
+++ b/doc/src/Commands_bond.txt
@@ -28,8 +28,12 @@ OPT.
 
 "none"_bond_none.html,
 "zero"_bond_zero.html,
-"hybrid"_bond_hybrid.html :tb(c=3,ea=c)
-
+"hybrid"_bond_hybrid.html,
+,
+,
+,
+,
+,
 "class2 (ko)"_bond_class2.html,
 "fene (iko)"_bond_fene.html,
 "fene/expand (o)"_bond_fene_expand.html,
@@ -56,8 +60,12 @@ OPT.
 
 "none"_angle_none.html,
 "zero"_angle_zero.html,
-"hybrid"_angle_hybrid.html :tb(c=3,ea=c)
-
+"hybrid"_angle_hybrid.html,
+,
+,
+,
+,
+,
 "charmm (iko)"_angle_charmm.html,
 "class2 (ko)"_angle_class2.html,
 "class2/p6"_angle_class2.html,
@@ -89,8 +97,12 @@ OPT.
 
 "none"_dihedral_none.html,
 "zero"_dihedral_zero.html,
-"hybrid"_dihedral_hybrid.html :tb(c=3,ea=c)
-
+"hybrid"_dihedral_hybrid.html,
+,
+,
+,
+,
+,
 "charmm (iko)"_dihedral_charmm.html,
 "charmmfsw"_dihedral_charmm.html,
 "class2 (ko)"_dihedral_class2.html,
@@ -117,8 +129,12 @@ OPT.
 
 "none"_improper_none.html,
 "zero"_improper_zero.html,
-"hybrid"_improper_hybrid.html :tb(c=3,ea=c)
-
+"hybrid"_improper_hybrid.html,
+,
+,
+,
+,
+,
 "class2 (ko)"_improper_class2.html,
 "cossq (o)"_improper_cossq.html,
 "cvff (io)"_improper_cvff.html,
diff --git a/doc/src/Commands_category.txt b/doc/src/Commands_category.txt
index 134dae82bbdb85b7467e2e069b3d36ee8afce6f0..14a328b2279fc442071f6f5deb88d86af78dbe81 100644
--- a/doc/src/Commands_category.txt
+++ b/doc/src/Commands_category.txt
@@ -116,6 +116,7 @@ Actions:
 
 "minimize"_minimize.html,
 "neb"_neb.html,
+"neb_spin"_neb_spin.html,
 "prd"_prd.html,
 "rerun"_rerun.html,
 "run"_run.html,
diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 678cc9ba0dd857151073ac52408bae68124d2f4e..d2d781d4b271b464456f03a15bf427f25666153b 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -61,6 +61,7 @@ OPT.
 "edpd/source"_fix_dpd_source.html,
 "efield"_fix_efield.html,
 "ehex"_fix_ehex.html,
+"electron/stopping"_fix_electron_stopping.html,
 "enforce2d (k)"_fix_enforce2d.html,
 "eos/cv"_fix_eos_cv.html,
 "eos/table"_fix_eos_table.html,
@@ -106,6 +107,7 @@ OPT.
 "mvv/edpd"_fix_mvv_dpd.html,
 "mvv/tdpd"_fix_mvv_dpd.html,
 "neb"_fix_neb.html,
+"neb_spin"_fix_neb_spin.html,
 "nph (ko)"_fix_nh.html,
 "nph/asphere (o)"_fix_nph_asphere.html,
 "nph/body"_fix_nph_body.html,
@@ -224,7 +226,7 @@ OPT.
 "wall/body/polyhedron"_fix_wall_body_polyhedron.html,
 "wall/colloid"_fix_wall.html,
 "wall/ees"_fix_wall_ees.html,
-"wall/gran (o)"_fix_wall_gran.html,
+"wall/gran"_fix_wall_gran.html,
 "wall/gran/region"_fix_wall_gran_region.html,
 "wall/harmonic"_fix_wall.html,
 "wall/lj1043"_fix_wall.html,
diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt
index b18d852c09900f5b47ddc21b801b2a0d6d11996c..6077fad8ecca868ac3ab5eb0c0e889c18c5c748d 100644
--- a/doc/src/Commands_pair.txt
+++ b/doc/src/Commands_pair.txt
@@ -27,8 +27,11 @@ OPT.
 "none"_pair_none.html,
 "zero"_pair_zero.html,
 "hybrid (k)"_pair_hybrid.html,
-"hybrid/overlay (k)"_pair_hybrid.html :tb(c=4,ea=c)
-
+"hybrid/overlay (k)"_pair_hybrid.html,
+,
+,
+,
+,
 "adp (o)"_pair_adp.html,
 "agni (o)"_pair_agni.html,
 "airebo (io)"_pair_airebo.html,
@@ -80,6 +83,8 @@ OPT.
 "dpd/fdt/energy (k)"_pair_dpd_fdt.html,
 "dpd/tstat (go)"_pair_dpd.html,
 "dsmc"_pair_dsmc.html,
+"e3b"_pair_e3b.html,
+"drip"_pair_drip.html,
 "eam (gikot)"_pair_eam.html,
 "eam/alloy (gikot)"_pair_eam.html,
 "eam/cd (o)"_pair_eam.html,
@@ -98,6 +103,7 @@ OPT.
 "gran/hertz/history (o)"_pair_gran.html,
 "gran/hooke (o)"_pair_gran.html,
 "gran/hooke/history (ko)"_pair_gran.html,
+"granular"_pair_granular.html,
 "gw"_pair_gw.html,
 "gw/zbl"_pair_gw.html,
 "hbond/dreiding/lj (o)"_pair_hbond_dreiding.html,
@@ -216,6 +222,8 @@ OPT.
 "sph/rhosum"_pair_sph_rhosum.html,
 "sph/taitwater"_pair_sph_taitwater.html,
 "sph/taitwater/morris"_pair_sph_taitwater_morris.html,
+"spin/dipole/cut"_pair_spin_dipole.html,
+"spin/dipole/long"_pair_spin_dipole.html,
 "spin/dmi"_pair_spin_dmi.html,
 "spin/exchange"_pair_spin_exchange.html,
 "spin/magelec"_pair_spin_magelec.html,
diff --git a/doc/src/Commands_removed.txt b/doc/src/Commands_removed.txt
new file mode 100644
index 0000000000000000000000000000000000000000..1eee6e45e0fe5272aaea112035fdbff1f9d75e47
--- /dev/null
+++ b/doc/src/Commands_removed.txt
@@ -0,0 +1,66 @@
+"Higher level section"_Commands.html - "LAMMPS WWW Site"_lws - "LAMMPS
+Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands.html)
+
+:line
+
+Removed commands and packages :h3
+
+This page lists LAMMPS commands and packages that have been removed from
+the distribution and provides suggestions for alternatives or replacements.
+LAMMPS has special dummy styles implemented, that will stop LAMMPS and
+print a suitable error message in most cases, when a style/command is used
+that has been removed.
+
+Fix ave/spatial and fix ave/spatial/sphere :h4
+
+The fixes ave/spatial and ave/spatial/sphere have been removed from LAMMPS
+since they were superseded by the more general and extensible "chunk
+infrastructure".  Here the system is partitioned in one of many possible
+ways through the "compute chunk/atom"_compute_chunk_atom.html command
+and then averaging is done using "fix ave/chunk"_fix_ave_chunk.html.
+Please refer to the "chunk HOWTO"_Howto_chunk.html section for an overview.
+
+MEAM package :h4
+
+The MEAM package has been removed since it was superseded by the
+"USER-MEAMC package"_Package_details.html#PKG-USER-MEAMC. The code in
+the USER-MEAMC package is a translation of the Fortran code of MEAM into C++,
+which removes several restrictions (e.g. there can be multiple instances
+in hybrid pair styles) and allows for some optimizations leading
+to better performance.  The new pair style "meam/c"_pair_meamc.html has
+the exact same syntax as the old "meam" pair style and thus pair style
+"meam"_pair_meamc.html is an alias to the new style and backward
+compatibility of old inputs is preserved.
+
+REAX package :h4
+
+The REAX package has been removed since it was superseded by the
+"USER-REAXC package"_Package_details.html#PKG-USER-REAXC.  The USER-REAXC
+package has been tested to yield equivalent results to the REAX package,
+offers better performance, supports OpenMP multi-threading via USER-OMP,
+and GPU and threading parallelization through KOKKOS.  The new pair styles
+are not syntax compatible with the removed reax pair style, so input
+files will have to be adapted.
+
+USER-CUDA package :h4
+
+The USER-CUDA package had been removed, since it had been unmaintained
+for a long time and had known bugs and problems.  Significant parts of
+the design were transferred to the
+"KOKKOS package"_Package_details.html#PKG-KOKKOS, which has similar
+performance characteristics on Nvidia GPUs. Both, the KOKKOS
+and the "GPU package"_Package_details.html#PKG-GPU are maintained
+and allow running LAMMPS with GPU acceleration.
+
+restart2data tool :h4
+
+The functionality of the restart2data tool has been folded into the
+LAMMPS executable directly instead of having a separate tool.  A
+combination of the commands "read_restart"_read_restart.html and
+"write_data"_write_data.html can be used to the same effect.  For added
+convenience this conversion can also be triggered by "command line
+flags"_Run_options.html
diff --git a/doc/src/Eqs/angle_class2_p6.tex b/doc/src/Eqs/angle_class2_p6.tex
new file mode 100644
index 0000000000000000000000000000000000000000..37fd87e9ec7ef6999cbce180737bcca38714ed9e
--- /dev/null
+++ b/doc/src/Eqs/angle_class2_p6.tex
@@ -0,0 +1,15 @@
+\documentclass[12pt]{article}
+
+\pagestyle{empty}
+\begin{document}
+
+$$
+  E_{a} = K_2\left(\theta - \theta_0\right)^2 + K_3\left(\theta - \theta_0\right)^3 + K_4\left(\theta - \theta_0\right)^4 + K_5\left(\theta - \theta_0\right)^5 + K_6\left(\theta - \theta_0\right)^6
+$$
+
+\end{document}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: t
+%%% End:
diff --git a/doc/src/Eqs/angle_cosine_buck6d.tex b/doc/src/Eqs/angle_cosine_buck6d.tex
new file mode 100644
index 0000000000000000000000000000000000000000..49be2fc8c2cd361d0e6bcd87deec01ab2cb5193b
--- /dev/null
+++ b/doc/src/Eqs/angle_cosine_buck6d.tex
@@ -0,0 +1,15 @@
+\documentclass[12pt]{article}
+
+\pagestyle{empty}
+\begin{document}
+
+$$
+  E = K \left[ 1 + \cos(n\theta - \theta_0)\right]
+$$
+
+\end{document}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: t
+%%% End:
diff --git a/doc/src/Eqs/e3b.jpg b/doc/src/Eqs/e3b.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..d3b07da409310faa7a855acbb4e57dd9f5c1fd49
Binary files /dev/null and b/doc/src/Eqs/e3b.jpg differ
diff --git a/doc/src/Eqs/e3b.tex b/doc/src/Eqs/e3b.tex
new file mode 100644
index 0000000000000000000000000000000000000000..550538bf35f1309ae77eeacca9905e4f0f8fe703
--- /dev/null
+++ b/doc/src/Eqs/e3b.tex
@@ -0,0 +1,15 @@
+\documentclass[12pt]{article}
+\usepackage{amsmath}
+\begin{document}
+
+\begin{align*}
+E =& E_2 \sum_{i,j}e^{-k_2 r_{ij}} + E_A \sum_{\substack{i,j,k,\ell \\\in \textrm{type A}}} f(r_{ij})f(r_{k\ell}) + E_B \sum_{\substack{i,j,k,\ell \\\in \textrm{type B}}} f(r_{ij})f(r_{k\ell}) + E_C \sum_{\substack{i,j,k,\ell \\\in \textrm{type C}}} f(r_{ij})f(r_{k\ell}) \\
+f(r) =& e^{-k_3 r}s(r) \\
+s(r) =& \begin{cases}
+  1 & r<R_s \\
+  \displaystyle\frac{(R_f-r)^2(R_f-3R_s+2r)}{(R_f-R_s)^3} & R_s\leq r\leq R_f \\
+  0 & r>R_f\\
+\end{cases}
+\end{align*}
+
+\end{document}
diff --git a/doc/src/Eqs/fix_spin_cubic.jpg b/doc/src/Eqs/fix_spin_cubic.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..871641111c9e43edfd878c4fa138da7231b5bbd9
Binary files /dev/null and b/doc/src/Eqs/fix_spin_cubic.jpg differ
diff --git a/doc/src/Eqs/fix_spin_cubic.tex b/doc/src/Eqs/fix_spin_cubic.tex
new file mode 100644
index 0000000000000000000000000000000000000000..9c402294d79142aa926304ca7031ecef74633187
--- /dev/null
+++ b/doc/src/Eqs/fix_spin_cubic.tex
@@ -0,0 +1,21 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath,amssymb,amsthm,bm}
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \bm{H}_{cubic} = -\sum_{{ i}=1}^{N} K_{1}
+    \Big[
+    \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
+    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2 +
+    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2
+    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 +
+    \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
+    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 \Big]
+    +K_{2}^{(c)} \left(\vec{s}_{i} \cdot \vec{n1} \right)^2
+    \left(\vec{s}_{i} \cdot \vec{n2} \right)^2
+    \left(\vec{s}_{i} \cdot \vec{n3} \right)^2 \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/improper_inversion_harmonic.tex b/doc/src/Eqs/improper_inversion_harmonic.tex
new file mode 100644
index 0000000000000000000000000000000000000000..a1607a1149c52b1f9c36c00cf269a0e0b9ca926b
--- /dev/null
+++ b/doc/src/Eqs/improper_inversion_harmonic.tex
@@ -0,0 +1,15 @@
+\documentclass[12pt]{article}
+
+\pagestyle{empty}
+\begin{document}
+
+$$
+  E = K \left(\theta - \theta_0\right)^2
+$$
+
+\end{document}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: t
+%%% End:
diff --git a/doc/src/Eqs/min_spin_damping.jpg b/doc/src/Eqs/min_spin_damping.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..0c700cc67863762a99f9b9e3df0cb945612a2e38
Binary files /dev/null and b/doc/src/Eqs/min_spin_damping.jpg differ
diff --git a/doc/src/Eqs/min_spin_damping.tex b/doc/src/Eqs/min_spin_damping.tex
new file mode 100644
index 0000000000000000000000000000000000000000..88b05447d37adcd585c865f19a79702555a6e616
--- /dev/null
+++ b/doc/src/Eqs/min_spin_damping.tex
@@ -0,0 +1,13 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath, amssymb, graphics, setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \frac{d \vec{s}_{i}}{dt} = \lambda\, \vec{s}_{i} \times\left( \vec{\omega}_{i} \times\vec{s}_{i} \right)
+    \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/min_spin_timestep.jpg b/doc/src/Eqs/min_spin_timestep.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..0d8f8d07f9ff6ef23a0b8a136b05bf36a1952bb6
Binary files /dev/null and b/doc/src/Eqs/min_spin_timestep.jpg differ
diff --git a/doc/src/Eqs/min_spin_timestep.tex b/doc/src/Eqs/min_spin_timestep.tex
new file mode 100644
index 0000000000000000000000000000000000000000..b0f6e68e4dce50575e3312f0d97ab682fa18d752
--- /dev/null
+++ b/doc/src/Eqs/min_spin_timestep.tex
@@ -0,0 +1,14 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath, amssymb, graphics, setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    {\Delta t}_{\rm max} = \frac{2\pi}{\kappa
+    \left|\vec{\omega}_{\rm max} \right|} 
+    \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/neb_spin_angle.jpg b/doc/src/Eqs/neb_spin_angle.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..b7021c4f620bcc5e42b3b43ea9d9c1e3c648910c
Binary files /dev/null and b/doc/src/Eqs/neb_spin_angle.jpg differ
diff --git a/doc/src/Eqs/neb_spin_angle.tex b/doc/src/Eqs/neb_spin_angle.tex
new file mode 100644
index 0000000000000000000000000000000000000000..03b133cd7720a3b9c234c76b9a201b457ce472f5
--- /dev/null
+++ b/doc/src/Eqs/neb_spin_angle.tex
@@ -0,0 +1,15 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath, amssymb, graphics, setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \omega_i^{\nu} = 
+    (\nu - 1) \Delta \omega_i
+    {\rm ~~and~~} \Delta \omega_i = \frac{\omega_i}{Q-1}
+  , \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/neb_spin_k.jpg b/doc/src/Eqs/neb_spin_k.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..add309694f9f0a0901b33bce69d7ef1bdce600a1
Binary files /dev/null and b/doc/src/Eqs/neb_spin_k.jpg differ
diff --git a/doc/src/Eqs/neb_spin_k.tex b/doc/src/Eqs/neb_spin_k.tex
new file mode 100644
index 0000000000000000000000000000000000000000..f0ce8e180ea962990948cb8e30f09ce4b456ae38
--- /dev/null
+++ b/doc/src/Eqs/neb_spin_k.tex
@@ -0,0 +1,16 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath, amssymb, graphics, setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \vec{k}_i =  
+    \frac{\vec{m}_i^I \times \vec{m}_i^F}{\left|\vec{m}_i^I 
+    \times \vec{m}_i^F\right|} 
+    %&{\rm ~if~}& \vec{m}_i^I \times \vec{m}_i^F  
+  , \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/neb_spin_rodrigues_formula.jpg b/doc/src/Eqs/neb_spin_rodrigues_formula.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..66070f7bc5b8050ec71d8947d3f2da3ec4e8ed38
Binary files /dev/null and b/doc/src/Eqs/neb_spin_rodrigues_formula.jpg differ
diff --git a/doc/src/Eqs/neb_spin_rodrigues_formula.tex b/doc/src/Eqs/neb_spin_rodrigues_formula.tex
new file mode 100644
index 0000000000000000000000000000000000000000..4a8347cd79dbdd8316f29c568b754f7c7af31378
--- /dev/null
+++ b/doc/src/Eqs/neb_spin_rodrigues_formula.tex
@@ -0,0 +1,16 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath, amssymb, graphics, setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \vec{m}_i^{\nu} = \vec{m}_i^{I} \cos(\omega_i^{\nu})
+    + (\vec{k}_i \times \vec{m}_i^{I}) \sin(\omega_i^{\nu})
+    + (1.0-\cos(\omega_i^{\nu})) \vec{k}_i (\vec{k}_i\cdot
+    \vec{m}_i^{I})
+  , \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/pair_agni.tex b/doc/src/Eqs/pair_agni.tex
new file mode 100644
index 0000000000000000000000000000000000000000..b9aa7882fca8412edbc5fa836a2181d73bc6fcf2
--- /dev/null
+++ b/doc/src/Eqs/pair_agni.tex
@@ -0,0 +1,18 @@
+\documentclass[12pt]{article}
+
+\pagestyle{empty}
+\begin{document}
+
+\begin{eqnarray*}
+  F_i^u & = & \sum_t^{N_t}\alpha_t \cdot \exp\left[-\frac{\left(d_{i,t}^u\right)^2}{2l^2}\right] \\
+  d_{i,t}^u & = & \left|\left| V_i^u(\eta) - V_t^u(\eta) \right|\right| \\
+  V_i^u(\eta) & = & \sum_{j \neq i}\frac{r^u_{ij}}{r_{ij}} \cdot e^{-\left(\frac{r_{ij}}{\eta} \right)^2} \cdot f_d\left(r_{ij}\right) \\
+  f_d\left(r_{ij}\right) & = & \frac{1}{2} \left[\cos\left(\frac{\pi r_{ij}}{R_c}\right) + 1 \right]
+\end{eqnarray*}
+
+\end{document}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: t
+%%% End:
diff --git a/doc/src/Eqs/pair_buck6d.txt b/doc/src/Eqs/pair_buck6d.tex
similarity index 91%
rename from doc/src/Eqs/pair_buck6d.txt
rename to doc/src/Eqs/pair_buck6d.tex
index 4888444d8c88ef7849e92f1e4a48bc58feba38a3..903c0685beb707011fc4a1021f2f88d9c95e0e96 100644
--- a/doc/src/Eqs/pair_buck6d.txt
+++ b/doc/src/Eqs/pair_buck6d.tex
@@ -1,6 +1,7 @@
 \documentclass[12pt]{article}
 
 \begin{document}
+\pagestyle{empty}
 
 \begin{eqnarray*}
   E = A e^{-\kappa r} - \frac{C}{r^6} \cdot \frac{1}{1 + D r^{14}} \qquad r < r_c \\
diff --git a/doc/src/Eqs/pair_coul_gauss.tex b/doc/src/Eqs/pair_coul_gauss.tex
new file mode 100644
index 0000000000000000000000000000000000000000..1eb9c05a6f7e6bbc6f6b59ed1ee6fd9be52f0831
--- /dev/null
+++ b/doc/src/Eqs/pair_coul_gauss.tex
@@ -0,0 +1,15 @@
+\documentclass[12pt]{article}
+
+\pagestyle{empty}
+\begin{document}
+
+$$
+  E = \frac{C_{q_i q_j}}{\epsilon r_{ij}}\,\, \textrm{erf}\left(\alpha_{ij} r_{ij}\right)\quad\quad\quad r < r_c
+$$
+
+\end{document}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: t
+%%% End:
diff --git a/doc/src/Eqs/pair_drip.jpg b/doc/src/Eqs/pair_drip.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..a94b4141b02c40946b92857b5544d0e632fa8c9f
Binary files /dev/null and b/doc/src/Eqs/pair_drip.jpg differ
diff --git a/doc/src/Eqs/pair_drip.tex b/doc/src/Eqs/pair_drip.tex
new file mode 100644
index 0000000000000000000000000000000000000000..079a2cdf849d3a0d5aa97d1491ee0eb6b68a37d7
--- /dev/null
+++ b/doc/src/Eqs/pair_drip.tex
@@ -0,0 +1,14 @@
+\documentclass[12pt]{article}
+\usepackage{amsmath}
+\usepackage{bm}
+
+\begin{document}
+
+\begin{eqnarray*}
+E &=& \frac{1}{2} \sum_{i} \sum_{j\notin\text{layer}\,i} \phi_{ij} \\\phi_{ij} &=& f_\text{c}(x_r) \left[ e^{-\lambda(r_{ij} - z_0 )} \left[C+f(\rho_{ij})+  g(\rho_{ij}, \{\alpha_{ij}^{(m)}\}) \right]- A\left (\frac{z_0}{r_{ij}} \right)^6 \right] \\
+\end{eqnarray*}  
+
+
+
+                        
+\end{document}
\ No newline at end of file
diff --git a/doc/src/Eqs/pair_mdf-6.jpg b/doc/src/Eqs/pair_mdf-6.jpg
index 54a08b25d6ee7ac64d947c8ee8f90cadc0d210c1..60bd7e3a9ea4d51829edb3f3d1b54adaac26d96d 100644
Binary files a/doc/src/Eqs/pair_mdf-6.jpg and b/doc/src/Eqs/pair_mdf-6.jpg differ
diff --git a/doc/src/Eqs/pair_mdf-6.tex b/doc/src/Eqs/pair_mdf-6.tex
index 9f25e09bc795d882ea6516fa15f005b85319eae6..b80f6f69b5d9b64f3938b17c9a20350807df6941 100644
--- a/doc/src/Eqs/pair_mdf-6.tex
+++ b/doc/src/Eqs/pair_mdf-6.tex
@@ -1,9 +1,9 @@
 \documentclass[12pt]{article}
-
+\pagestyle{empty}
 \begin{document}
 
 $$
-   E(r) = \frac{A}{r^{12}} - \frac{A}{r^{6}}
+   E(r) = \frac{A}{r^{12}} - \frac{B}{r^{6}}
 $$
 
 \end{document}
diff --git a/doc/src/Eqs/pair_spin_dipole.jpg b/doc/src/Eqs/pair_spin_dipole.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..e648547ec3de18eaf870e976ee386c9b4b9885f1
Binary files /dev/null and b/doc/src/Eqs/pair_spin_dipole.jpg differ
diff --git a/doc/src/Eqs/pair_spin_dipole.tex b/doc/src/Eqs/pair_spin_dipole.tex
new file mode 100644
index 0000000000000000000000000000000000000000..27f0bc4d2d5b9464a055be7b80e8c268cdd5188d
--- /dev/null
+++ b/doc/src/Eqs/pair_spin_dipole.tex
@@ -0,0 +1,42 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath,amssymb,graphics,bm,setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \mathcal{H}_{\rm long}= 
+    -\frac{\mu_{0} \left( \mu_B\right)^2}{4\pi} 
+    \sum_{i,j,i\neq j}^{N}
+    \frac{g_i g_j}{r_{ij}^3}
+    \Big(3 
+    \left(\bm{e}_{ij}\cdot \bm{s}_{i}\right) 
+    \left(\bm{e}_{ij}\cdot \bm{s}_{j}\right) 
+    -\bm{s}_i\cdot\bm{s}_j \Big)
+    \nonumber
+  \end{equation}
+  \begin{equation}
+    \bm{\omega}_i = 
+    \frac{\mu_0 (\mu_B)^2}{4\pi\hbar}\sum_{j}
+    \frac{g_i g_j}{r_{ij}^3}
+    \, \Big(
+    3\,(\bm{e}_{ij}\cdot\bm{s}_{j})\bm{e}_{ij}
+    -\bm{s}_{j} \Big) \nonumber
+  \end{equation}
+  \begin{equation}
+    \bm{F}_i =
+    \frac{3\, \mu_0 (\mu_B)^2}{4\pi} \sum_j
+    \frac{g_i g_j}{r_{ij}^4}
+    \Big[\big( (\bm{s}_i\cdot\bm{s}_j) 
+    -5(\bm{e}_{ij}\cdot\bm{s}_i)
+    (\bm{e}_{ij}\cdot\bm{s}_j)\big) \bm{e}_{ij}+
+    \big(
+    (\bm{e}_{ij}\cdot\bm{s}_i)\bm{s}_j+
+    (\bm{e}_{ij}\cdot\bm{s}_j)\bm{s}_i
+    \big)
+    \Big]
+    \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/pair_spin_long_range.jpg b/doc/src/Eqs/pair_spin_long_range.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..bc133d10cf0a0a2a07db95afaf64961911f94084
Binary files /dev/null and b/doc/src/Eqs/pair_spin_long_range.jpg differ
diff --git a/doc/src/Eqs/pair_spin_long_range.tex b/doc/src/Eqs/pair_spin_long_range.tex
new file mode 100644
index 0000000000000000000000000000000000000000..493879e4dd4c447ee92c94e4fb042a9e65e5d9d6
--- /dev/null
+++ b/doc/src/Eqs/pair_spin_long_range.tex
@@ -0,0 +1,20 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath,amssymb,graphics,bm,setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \mathcal{H}_{\rm long}= 
+    -\frac{\mu_{0} \left( \mu_B\right)^2}{4\pi} 
+    \sum_{i,j,i\neq j}^{N}
+    \frac{g_i g_j}{r_{ij}^3}
+    \Big(3 
+    \left(\bm{e}_{ij}\cdot \bm{s}_{i}\right) 
+    \left(\bm{e}_{ij}\cdot \bm{s}_{j}\right) 
+    -\bm{s}_i\cdot\bm{s}_j \Big)
+    \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/pair_spin_long_range_force.jpg b/doc/src/Eqs/pair_spin_long_range_force.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..71d2acbe5a2e515905f8ef738ce70fbbe8e25a90
Binary files /dev/null and b/doc/src/Eqs/pair_spin_long_range_force.jpg differ
diff --git a/doc/src/Eqs/pair_spin_long_range_force.tex b/doc/src/Eqs/pair_spin_long_range_force.tex
new file mode 100644
index 0000000000000000000000000000000000000000..62f8ce1374a32916943647828d89ac962d4ba599
--- /dev/null
+++ b/doc/src/Eqs/pair_spin_long_range_force.tex
@@ -0,0 +1,23 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath,amssymb,graphics,bm,setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \bm{F}_i =
+    \frac{\mu_0 (\mu_B)^2}{4\pi} \sum_j
+    \frac{g_i g_j}{r_{ij}^4}
+    \Big[\big( (\bm{s}_i\cdot\bm{s}_j) 
+    -5(\bm{e}_{ij}\cdot\bm{s}_i)
+    (\bm{e}_{ij}\cdot\bm{s}_j)\big) \bm{e}_{ij}+
+    \big(
+    (\bm{e}_{ij}\cdot\bm{s}_i)\bm{s}_j+
+    (\bm{e}_{ij}\cdot\bm{s}_j)\bm{s}_i
+    \big)
+    \Big]
+    \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Eqs/pair_spin_long_range_magforce.jpg b/doc/src/Eqs/pair_spin_long_range_magforce.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..d6a83a0c273d87bba5d5159d4bcaed0c0c07a280
Binary files /dev/null and b/doc/src/Eqs/pair_spin_long_range_magforce.jpg differ
diff --git a/doc/src/Eqs/pair_spin_long_range_magforce.tex b/doc/src/Eqs/pair_spin_long_range_magforce.tex
new file mode 100644
index 0000000000000000000000000000000000000000..ad40cf9d8b98de65d826451d2e4b1da4c42ed754
--- /dev/null
+++ b/doc/src/Eqs/pair_spin_long_range_magforce.tex
@@ -0,0 +1,17 @@
+\documentclass[preview]{standalone}
+\usepackage{varwidth}
+\usepackage[utf8x]{inputenc}
+\usepackage{amsmath,amssymb,graphics,bm,setspace}
+
+\begin{document}
+\begin{varwidth}{50in}
+  \begin{equation}
+    \bm{\omega}_i = 
+    \frac{\mu_0 (\mu_B)^2}{4\pi\hbar}\sum_{j}
+    \frac{g_i g_j}{r_{ij}^3}
+    \, \Big(
+    3\,(\bm{e}_{ij}\cdot\bm{s}_{j})\bm{e}_{ij}
+    -\bm{s}_{j} \Big) \nonumber
+  \end{equation}
+\end{varwidth}
+\end{document}
diff --git a/doc/src/Errors_messages.txt b/doc/src/Errors_messages.txt
index 23a7405f876df35782babece5526509e04414bbd..1d635ed84178ce21643a341c371aef1cd76ab43c 100644
--- a/doc/src/Errors_messages.txt
+++ b/doc/src/Errors_messages.txt
@@ -610,6 +610,62 @@ This means there is something invalid about the topology definitions. :dd
 
 The data file header lists bonds but no bond types. :dd
 
+{Bond/react: Cannot use fix bond/react with non-molecular systems} :dt
+
+Only systems with bonds that can be changed can be used. Atom_style
+template does not qualify. :dd
+
+{Bond/react: Rmax cutoff is longer than pairwise cutoff} :dt
+
+This is not allowed because bond creation is done using the pairwise
+neighbor list. :dd
+
+{Bond/react: Molecule template ID for fix bond/react does not exist} :dt
+
+A valid molecule template must have been created with the molecule
+command. :dd
+
+{Bond/react: Reaction templates must contain the same number of atoms} :dt
+
+There should be a one-to-one correspondence between atoms in the
+pre-reacted and post-reacted templates, as specified by the map file. :dd
+
+{Bond/react: Unknown section in map file} :dt
+
+Please ensure reaction map files are properly formatted. :dd
+
+{Bond/react: Atom affected by reaction too close to template edge} :dt
+
+This means an atom which changes type or connectivity during the
+reaction is too close to an 'edge' atom defined in the superimpose
+file. This could cause incorrect assignment of bonds, angle, etc.
+Generally, this means you must include more atoms in your templates,
+such that there are at least two atoms between each atom involved in
+the reaction and an edge atom. :dd
+
+{Bond/react: Fix bond/react needs ghost atoms from farther away} :dt
+
+This is because a processor needs to superimpose the entire unreacted
+molecule template onto simulation atoms it knows about. The
+comm_modify cutoff command can be used to extend the communication
+range. :dd
+
+{Bond/react: A deleted atom cannot remain bonded to an atom that is not deleted} :dt
+
+Self-explanatory. :dd
+
+{Bond/react special bond generation overflow} :dt
+
+The number of special bonds per-atom created by a reaction exceeds the
+system setting. See the read_data or create_box command for how to
+specify this value. :dd
+
+{Bond/react topology/atom exceed system topology/atom} :dt
+
+The number of bonds, angles etc per-atom created by a reaction exceeds
+the system setting. See the read_data or create_box command for how to
+specify this value. :dd
+
 {Both restart files must use % or neither} :dt
 
 Self-explanatory. :dd
@@ -2146,10 +2202,6 @@ Self-explanatory. :dd
 
 This is a current restriction in LAMMPS. :dd
 
-{Cannot use pair hybrid with GPU neighbor list builds} :dt
-
-Neighbor list builds must be done on the CPU for this pair style. :dd
-
 {Cannot use pair tail corrections with 2d simulations} :dt
 
 The correction factors are only currently defined for 3d systems. :dd
@@ -5467,10 +5519,6 @@ Self-explanatory. :dd
 For this pair style, you cannot run part of the force calculation on
 the host.  See the package command. :dd
 
-{GPU split param must be positive for hybrid pair styles} :dt
-
-See the package gpu command. :dd
-
 {GPUs are requested but Kokkos has not been compiled for CUDA} :dt
 
 Re-compile Kokkos with CUDA support to use GPUs. :dd
@@ -5828,6 +5876,12 @@ Must have periodic x,y dimensions and non-periodic z dimension to use
 Must have periodic x,y dimensions and non-periodic z dimension to use
 2d slab option with pppm/disp. :dd
 
+{Incorrect conversion in format string} :dt
+
+A format style variable was not using either a %f, a %g, or a %e conversion.
+Or an immediate variable with format suffix was not using either
+a %f, a %g or a %e conversion in the format suffix. :dd
+
 {Incorrect element names in ADP potential file} :dt
 
 The element names in the ADP file do not match those requested. :dd
@@ -6988,12 +7042,6 @@ The atom style defined does not have this attribute. :dd
 
 The atom style defined does not have these attributes. :dd
 
-{KIM neighbor iterator exceeded range} :dt
-
-This should not happen.  It likely indicates a bug
-in the KIM implementation of the interatomic potential
-where it is requesting neighbors incorrectly. :dd
-
 {KOKKOS package does not yet support comm_style tiled} :dt
 
 Self-explanatory. :dd
@@ -7041,6 +7089,18 @@ Self-explanatory. :dd
 
 One or more GPUs must be used when Kokkos is compiled for CUDA. :dd
 
+{Kspace_modify mesh parameter must be all zero or all positive} :dt
+
+Valid kspace mesh parameters are >0. The code will try to auto-detect
+suitable values when all three mesh sizes are set to zero (the default). :dd
+
+{Kspace_modify mesh/disp parameter must be all zero or all positive} :dt
+
+Valid kspace mesh/disp parameters are >0. The code will try to auto-detect
+suitable values when all three mesh sizes are set to zero [and]
+the required accuracy via {force/disp/real} as well as
+{force/disp/kspace} is set. :dd
+
 {Kspace style does not support compute group/group} :dt
 
 Self-explanatory. :dd
@@ -7454,6 +7514,11 @@ The Atoms section of a data file must come before a Triangles section. :dd
 The Atoms section of a data file must come before a Velocities
 section. :dd
 
+{Must re-specify non-restarted pair style (xxx) after read_restart} :dt
+
+For pair styles, that do not store their settings in a restart file,
+it must be defined with a new 'pair_style' command after read_restart. :dd
+
 {Must set both respa inner and outer} :dt
 
 Cannot use just the inner or outer option with respa without using the
@@ -9996,25 +10061,25 @@ quote. :dd
 
 Self-explanatory. :dd
 
-{Unexpected end of AngleCoeffs section} :dt
+{Unexpected empty line in AngleCoeffs section} :dt
 
-Read a blank line. :dd
+Read a blank line where there should be coefficient data. :dd
 
-{Unexpected end of BondCoeffs section} :dt
+{Unexpected empty line in BondCoeffs section} :dt
 
-Read a blank line. :dd
+Read a blank line where there should be coefficient data. :dd
 
-{Unexpected end of DihedralCoeffs section} :dt
+{Unexpected empty line in DihedralCoeffs section} :dt
 
-Read a blank line. :dd
+Read a blank line where there should be coefficient data. :dd
 
-{Unexpected end of ImproperCoeffs section} :dt
+{Unexpected empty line in ImproperCoeffs section} :dt
 
-Read a blank line. :dd
+Read a blank line where there should be coefficient data. :dd
 
-{Unexpected end of PairCoeffs section} :dt
+{Unexpected empty line in PairCoeffs section} :dt
 
-Read a blank line. :dd
+Read a blank line where there should be coefficient data. :dd
 
 {Unexpected end of custom file} :dt
 
@@ -10055,19 +10120,19 @@ create_box command. :dd
 A universe or uloop style variable must specify a number of values >= to the
 number of processor partitions. :dd
 
-{Unknown angle style} :dt
+{Unrecognized angle style} :dt
 
 The choice of angle style is unknown. :dd
 
-{Unknown atom style} :dt
+{Unrecognized atom style} :dt
 
 The choice of atom style is unknown. :dd
 
-{Unknown body style} :dt
+{Unrecognized body style} :dt
 
 The choice of body style is unknown. :dd
 
-{Unknown bond style} :dt
+{Unrecognized bond style} :dt
 
 The choice of bond style is unknown. :dd
 
@@ -10083,23 +10148,23 @@ Self-explanatory. :dd
 
 Self-explanatory. :dd
 
-{Unknown command: %s} :dt
+{Unrecognized command: %s} :dt
 
 The command is not known to LAMMPS.  Check the input script. :dd
 
-{Unknown compute style} :dt
+{Unrecognized compute style} :dt
 
 The choice of compute style is unknown. :dd
 
-{Unknown dihedral style} :dt
+{Unrecognized dihedral style} :dt
 
 The choice of dihedral style is unknown. :dd
 
-{Unknown dump reader style} :dt
+{Unrecognized dump reader style} :dt
 
 The choice of dump reader style via the format keyword is unknown. :dd
 
-{Unknown dump style} :dt
+{Unrecognized dump style} :dt
 
 The choice of dump style is unknown. :dd
 
@@ -10107,7 +10172,7 @@ The choice of dump style is unknown. :dd
 
 Self-explanatory. :dd
 
-{Unknown fix style} :dt
+{Unrecognized fix style} :dt
 
 The choice of fix style is unknown. :dd
 
@@ -10115,7 +10180,7 @@ The choice of fix style is unknown. :dd
 
 A section of the data file cannot be read by LAMMPS. :dd
 
-{Unknown improper style} :dt
+{Unrecognized improper style} :dt
 
 The choice of improper style is unknown. :dd
 
@@ -10123,7 +10188,7 @@ The choice of improper style is unknown. :dd
 
 One or more specified keywords are not recognized. :dd
 
-{Unknown kspace style} :dt
+{Unrecognized kspace style} :dt
 
 The choice of kspace style is unknown. :dd
 
@@ -10139,7 +10204,7 @@ Self-explanatory. :dd
 
 Self-explanatory. :dd
 
-{Unknown pair style} :dt
+{Unrecognized pair style} :dt
 
 The choice of pair style is unknown. :dd
 
@@ -10147,7 +10212,7 @@ The choice of pair style is unknown. :dd
 
 The choice of sub-style is unknown. :dd
 
-{Unknown region style} :dt
+{Unrecognized region style} :dt
 
 The choice of region style is unknown. :dd
 
@@ -10185,10 +10250,6 @@ valid. :dd
 
 Self-explanatory. :dd
 
-{Unrecognized virial argument in pair_style command} :dt
-
-Only two options are supported: LAMMPSvirial and KIMvirial :dd
-
 {Unsupported mixing rule in kspace_style ewald/disp} :dt
 
 Only geometric mixing is supported. :dd
diff --git a/doc/src/Errors_warnings.txt b/doc/src/Errors_warnings.txt
index 079688c6399998ac305730e99735a045fd6e1dab..1507d6b22cf706c8656e699d4f1e5d5d1ee7946b 100644
--- a/doc/src/Errors_warnings.txt
+++ b/doc/src/Errors_warnings.txt
@@ -82,6 +82,15 @@ bond/angle/dihedral.  LAMMPS computes this by taking the maximum bond
 length, multiplying by the number of bonds in the interaction (e.g. 3
 for a dihedral) and adding a small amount of stretch. :dd
 
+{Bond/react: Atom affected by reaction too close to template edge} :dt
+
+This means an atom which changes type or connectivity during the
+reaction is too close to an 'edge' atom defined in the superimpose
+file. This could cause incorrect assignment of bonds, angle, etc.
+Generally, this means you must include more atoms in your templates,
+such that there are at least two atoms between each atom involved in
+the reaction and an edge atom. :dd
+
 {Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero} :dt
 
 Self-explanatory. :dd
@@ -178,12 +187,6 @@ When using fixes like box/relax, the potential energy used by the minimizer
 is augmented by an additional energy provided by the fix. Thus the printed
 converged energy may be different from the total potential energy. :dd
 
-{Energy tally does not account for 'zero yes'} :dt
-
-The energy removed by using the 'zero yes' flag is not accounted
-for in the energy tally and thus energy conservation cannot be
-monitored in this case. :dd
-
 {Estimated error in splitting of dispersion coeffs is %g} :dt
 
 Error is greater than 0.0001 percent. :dd
diff --git a/doc/src/Examples.txt b/doc/src/Examples.txt
index e26e6abd9936ec7167f62aed1f0d764a28e4d585..fcf01de383736b3f38d545ffccb4277660b29bf8 100644
--- a/doc/src/Examples.txt
+++ b/doc/src/Examples.txt
@@ -11,7 +11,7 @@ Section"_Tools.html :c
 Example scripts :h3
 
 The LAMMPS distribution includes an examples sub-directory with many
-sample problems.  Many are 2d models that run quickly are are
+sample problems.  Many are 2d models that run quickly and are
 straightforward to visualize, requiring at most a couple of minutes to
 run on a desktop machine.  Each problem has an input script (in.*) and
 produces a log file (log.*) when it runs.  Some use a data file
@@ -52,13 +52,14 @@ Lowercase directories :h4
 
 accelerate: run with various acceleration options (OpenMP, GPU, Phi)
 airebo:   polyethylene with AIREBO potential
+atm:      Axilrod-Teller-Muto potential example
 balance:  dynamic load balancing, 2d system
 body:     body particles, 2d system
 cmap:     CMAP 5-body contributions to CHARMM force field
 colloid:  big colloid particles in a small particle solvent, 2d system
 comb:     models using the COMB potential
-coreshell: core/shell model using CORESHELL package
 controller: use of fix controller as a thermostat
+coreshell: core/shell model using CORESHELL package
 crack:    crack propagation in a 2d solid
 deposit:  deposit atoms and molecules on a surface
 dipole:   point dipolar particles, 2d system
@@ -70,10 +71,13 @@ friction: frictional contact of spherical asperities between 2d surfaces
 gcmc:     Grand Canonical Monte Carlo (GCMC) via the fix gcmc command
 granregion: use of fix wall/region/gran as boundary on granular particles
 hugoniostat: Hugoniostat shock dynamics
+hyper:    global and local hyperdynamics of diffusion on Pt surface
 indent:   spherical indenter into a 2d solid
 kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
+latte:    examples for using fix latte for DFTB via the LATTE library
 meam:     MEAM test for SiC and shear (same as shear examples)
 melt:     rapid melt of 3d LJ system
+message:  demos for LAMMPS client/server coupling with the MESSAGE package
 micelle:  self-assembly of small lipid-like molecules into 2d bilayers
 min:      energy minimization of 2d LJ melt
 mscg:     parameterize a multi-scale coarse-graining (MSCG) model
@@ -88,6 +92,7 @@ pour:     pouring of granular particles into a 3d box, then chute flow
 prd:      parallel replica dynamics of vacancy diffusion in bulk Si
 python:   using embedded Python in a LAMMPS input script
 qeq:      use of the QEQ package for charge equilibration
+rdf-adf:  computing radial and angle distribution functions for water
 reax:     RDX and TATB models using the ReaxFF
 rigid:    rigid bodies modeled as independent or coupled
 shear:    sideways shear applied to 2d solid, with and without a void
@@ -95,6 +100,7 @@ snap:     NVE dynamics for BCC tantalum crystal using SNAP potential
 srd:      stochastic rotation dynamics (SRD) particles as solvent
 streitz:  use of Streitz/Mintmire potential with charge equilibration
 tad:      temperature-accelerated dynamics of vacancy diffusion in bulk Si
+threebody: regression test input for a variety of manybody potentials
 vashishta: use of the Vashishta potential
 voronoi:  Voronoi tesselation via compute voronoi/atom command :tb(s=:)
 
@@ -131,8 +137,10 @@ COUPLE: examples of how to use LAMMPS as a library
 DIFFUSE: compute diffusion coefficients via several methods
 ELASTIC: compute elastic constants at zero temperature
 ELASTIC_T: compute elastic constants at finite temperature
+HEAT: compute thermal conductivity for LJ and water via fix ehex
 KAPPA: compute thermal conductivity via several methods
 MC: using LAMMPS in a Monte Carlo mode to relax the energy of a system
+SPIN: examples for features of the SPIN package
 USER: examples for USER packages and USER-contributed commands
 VISCOSITY: compute viscosity via several methods :tb(s=:)
 
diff --git a/doc/src/Howto.txt b/doc/src/Howto.txt
index 36f6be71948e94d17d950d64e8e8c366003bd836..0df417af758c84a34f95d9689bb7e26fcc78576e 100644
--- a/doc/src/Howto.txt
+++ b/doc/src/Howto.txt
@@ -148,7 +148,7 @@ END_RST -->
 
 <!-- HTML_ONLY -->
 
-"CHARMM, AMBER, and DREIDING force fields"_Howto_bioFF.html
+"CHARMM, AMBER, COMPASS, and DREIDING force fields"_Howto_bioFF.html
 "TIP3P water model"_Howto_tip3p.html
 "TIP4P water model"_Howto_tip4p.html
 "SPC water model"_Howto_spc.html :all(b)
diff --git a/doc/src/Howto_bioFF.txt b/doc/src/Howto_bioFF.txt
index deb5b31441918e8646b29c74740fc16ed0ed4b52..d238e4024f269733550d0b81d98bd2e21d3f28c2 100644
--- a/doc/src/Howto_bioFF.txt
+++ b/doc/src/Howto_bioFF.txt
@@ -7,29 +7,31 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-CHARMM, AMBER, and DREIDING force fields :h3
+CHARMM, AMBER, COMPASS, and DREIDING force fields :h3
 
 A force field has 2 parts: the formulas that define it and the
 coefficients used for a particular system.  Here we only discuss
 formulas implemented in LAMMPS that correspond to formulas commonly
-used in the CHARMM, AMBER, and DREIDING force fields.  Setting
-coefficients is done in the input data file via the
-"read_data"_read_data.html command or in the input script with
+used in the CHARMM, AMBER, COMPASS, and DREIDING force fields.  Setting
+coefficients is done either from special sections in an input data file
+via the "read_data"_read_data.html command or in the input script with
 commands like "pair_coeff"_pair_coeff.html or
-"bond_coeff"_bond_coeff.html.  See the "Tools"_Tools.html doc page for
-additional tools that can use CHARMM or AMBER to assign force field
-coefficients and convert their output into LAMMPS input.
+"bond_coeff"_bond_coeff.html and so on.  See the "Tools"_Tools.html doc
+page for additional tools that can use CHARMM, AMBER, or Materials
+Studio generated files to assign force field coefficients and convert
+their output into LAMMPS input.
 
 See "(MacKerell)"_#howto-MacKerell for a description of the CHARMM force
-field.  See "(Cornell)"_#howto-Cornell for a description of the AMBER force
-field.
+field.  See "(Cornell)"_#howto-Cornell for a description of the AMBER
+force field.  See "(Sun)"_#howto-Sun for a description of the COMPASS
+force field.
 
 :link(charmm,http://www.scripps.edu/brooks)
 :link(amber,http://amber.scripps.edu)
 
-These style choices compute force field formulas that are consistent
-with common options in CHARMM or AMBER.  See each command's
-documentation for the formula it computes.
+The interaction styles listed below compute force field formulas that
+are consistent with common options in CHARMM or AMBER.  See each
+command's documentation for the formula it computes.
 
 "bond_style"_bond_harmonic.html harmonic
 "angle_style"_angle_charmm.html charmm
@@ -44,28 +46,54 @@ documentation for the formula it computes.
 "special_bonds"_special_bonds.html charmm
 "special_bonds"_special_bonds.html amber :ul
 
-NOTE: For CHARMM, newer {charmmfsw} or {charmmfsh} styles were
-released in March 2017.  We recommend they be used instead of the
-older {charmm} styles.  See discussion of the differences on the "pair
-charmm"_pair_charmm.html and "dihedral charmm"_dihedral_charmm.html
-doc pages.
+NOTE: For CHARMM, newer {charmmfsw} or {charmmfsh} styles were released
+in March 2017.  We recommend they be used instead of the older {charmm}
+styles.  See discussion of the differences on the "pair
+charmm"_pair_charmm.html and "dihedral charmm"_dihedral_charmm.html doc
+pages.
+
+COMPASS is a general force field for atomistic simulation of common
+organic molecules, inorganic small molecules, and polymers which was
+developed using ab initio and empirical parameterization techniques.
+See the "Tools"_Tools.html doc page for the msi2lmp tool for creating
+LAMMPS template input and data files from BIOVIA's Materials Studio
+files.  Please note that the msi2lmp tool is very old and largely
+unmaintained, so it does not support all features of Materials Studio
+provided force field files, especially additions during the last decade.
+You should watch the output carefully and compare results, where
+possible.  See "(Sun)"_#howto-Sun for a description of the COMPASS force
+field.
+
+These interaction styles listed below compute force field formulas that
+are consistent with the COMPASS force field.  See each command's
+documentation for the formula it computes.
+
+"bond_style"_bond_class2.html class2
+"angle_style"_angle_class2.html class2
+"dihedral_style"_dihedral_class2.html class2
+"improper_style"_improper_class2.html class2 :ul
+
+"pair_style"_pair_class2.html lj/class2
+"pair_style"_pair_class2.html lj/class2/coul/cut
+"pair_style"_pair_class2.html lj/class2/coul/long :ul
+
+"special_bonds"_special_bonds.html lj/coul 0 0 1 :ul
 
 DREIDING is a generic force field developed by the "Goddard
 group"_http://www.wag.caltech.edu at Caltech and is useful for
-predicting structures and dynamics of organic, biological and
-main-group inorganic molecules. The philosophy in DREIDING is to use
-general force constants and geometry parameters based on simple
-hybridization considerations, rather than individual force constants
-and geometric parameters that depend on the particular combinations of
-atoms involved in the bond, angle, or torsion terms. DREIDING has an
-"explicit hydrogen bond term"_pair_hbond_dreiding.html to describe
-interactions involving a hydrogen atom on very electronegative atoms
-(N, O, F).
+predicting structures and dynamics of organic, biological and main-group
+inorganic molecules. The philosophy in DREIDING is to use general force
+constants and geometry parameters based on simple hybridization
+considerations, rather than individual force constants and geometric
+parameters that depend on the particular combinations of atoms involved
+in the bond, angle, or torsion terms. DREIDING has an "explicit hydrogen
+bond term"_pair_hbond_dreiding.html to describe interactions involving a
+hydrogen atom on very electronegative atoms (N, O, F).
 
 See "(Mayo)"_#howto-Mayo for a description of the DREIDING force field
 
-These style choices compute force field formulas that are consistent
-with the DREIDING force field.  See each command's
+The interaction styles listed below compute force field formulas that
+are consistent with the DREIDING force field.  See each command's
 documentation for the formula it computes.
 
 "bond_style"_bond_harmonic.html harmonic
@@ -100,6 +128,9 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
 [(Cornell)] Cornell, Cieplak, Bayly, Gould, Merz, Ferguson,
 Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).
 
+:link(howto-Sun)
+[(Sun)] Sun, J. Phys. Chem. B, 102, 7338-7364 (1998).
+
 :link(howto-Mayo)
 [(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
 (1990).
diff --git a/doc/src/Howto_diffusion.txt b/doc/src/Howto_diffusion.txt
index 6c920c9bc3da9463589362805d5e46592996ffe4..6b6eaf72ec71c112b0dba83d586b2c3a6fe9edee 100644
--- a/doc/src/Howto_diffusion.txt
+++ b/doc/src/Howto_diffusion.txt
@@ -29,3 +29,5 @@ diffusion coefficient.  The instantaneous VACF values can be
 accumulated in a vector via the "fix vector"_fix_vector.html command,
 and time integrated via the "variable trap"_variable.html function,
 and thus extract D.
+
+:line
diff --git a/doc/src/Howto_drude2.txt b/doc/src/Howto_drude2.txt
index afb528eb4a4eaccf3a308aea93cc8476eb00d9f8..376ecb0292fa7d6232b277686702a9c12d698237 100644
--- a/doc/src/Howto_drude2.txt
+++ b/doc/src/Howto_drude2.txt
@@ -274,7 +274,7 @@ crash. Even without reaching this extreme case, the correlation
 between nearby dipoles on the same molecule may be exaggerated.  Often,
 special bond relations prevent bonded neighboring atoms to see the
 charge of each other's DP, so that the problem does not always appear.
-It is possible to use screened dipole dipole interactions by using the
+It is possible to use screened dipole-dipole interactions by using the
 "{pair_style thole}"_pair_thole.html.  This is implemented as a
 correction to the Coulomb pair_styles, which dampens at short distance
 the interactions between the charges representing the induced dipoles.
diff --git a/doc/src/Howto_library.txt b/doc/src/Howto_library.txt
index 40a8bf0a70313992136627e4bc004654558f1b36..ba009cfad927f2484467c161c1cf53750a0629f2 100644
--- a/doc/src/Howto_library.txt
+++ b/doc/src/Howto_library.txt
@@ -166,9 +166,6 @@ void lammps_gather_atoms_subset(void *, char *, int, int, int, int *, void *)
 void lammps_scatter_atoms(void *, char *, int, int, void *)
 void lammps_scatter_atoms_subset(void *, char *, int, int, int, int *, void *) :pre
 
-void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
-                         imageint *, int) :pre
-
 The gather functions collect peratom info of the requested type (atom
 coords, atom types, forces, etc) from all processors, and returns the
 same vector of values to each calling processor.  The scatter
@@ -176,6 +173,11 @@ functions do the inverse.  They distribute a vector of peratom values,
 passed by all calling processors, to individual atoms, which may be
 owned by different processors.
 
+IMPORTANT NOTE: These functions are not compatible with the
+-DLAMMPS_BIGBIG setting when compiling LAMMPS.  Dummy functions
+that result in an error message and abort will be substituted
+instead of resulting in random crashes and memory corruption.
+
 The lammps_gather_atoms() function does this for all N atoms in the
 system, ordered by atom ID, from 1 to N.  The
 lammps_gather_atoms_concat() function does it for all N atoms, but
@@ -196,6 +198,9 @@ those values to each atom in the system.  The
 lammps_scatter_atoms_subset() function takes a subset of IDs as an
 argument and only scatters those values to the owning atoms.
 
+void lammps_create_atoms(void *, int, tagint *, int *, double *, double *,
+                         imageint *, int) :pre
+
 The lammps_create_atoms() function takes a list of N atoms as input
 with atom types and coords (required), an optionally atom IDs and
 velocities and image flags.  It uses the coords of each atom to assign
diff --git a/doc/src/Howto_pylammps.txt b/doc/src/Howto_pylammps.txt
index b731a8e31a30cc46875150e16d6ce1be158963c0..54f17d912a591d874b0bed0e32cdd4ebc23ac263 100644
--- a/doc/src/Howto_pylammps.txt
+++ b/doc/src/Howto_pylammps.txt
@@ -57,6 +57,17 @@ library is then loaded by the Python interface. In this example we enable the
 MOLECULE package and compile LAMMPS with C++ exceptions, PNG, JPEG and FFMPEG
 output support enabled.
 
+Step 1a: For the CMake based build system, the steps are:
+
+mkdir $LAMMPS_DIR/build-shared
+cd  $LAMMPS_DIR/build-shared :pre
+
+# MPI, PNG, Jpeg, FFMPEG are auto-detected
+cmake ../cmake -DPKG_MOLECULE=yes -DLAMMPS_EXCEPTIONS=yes -DBUILD_LIB=yes -DBUILD_SHARED_LIBS=yes
+make :pre
+
+Step 1b: For the legacy, make based build system, the steps are:
+
 cd $LAMMPS_DIR/src :pre
 
 # add packages if necessary
@@ -68,10 +79,9 @@ make mpi mode=shlib LMP_INC="-DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS
 Step 2: Installing the LAMMPS Python package :h6
 
 PyLammps is part of the lammps Python package. To install it simply install
-that package into your current Python installation.
+that package into your current Python installation with:
 
-cd $LAMMPS_DIR/python
-python install.py :pre
+make install-python :pre
 
 NOTE: Recompiling the shared library requires re-installing the Python package
 
@@ -94,14 +104,21 @@ apt-get install python-virtualenv :pre
 
 Creating a virtualenv with lammps installed :h6
 
-# create virtualenv name 'testing' :pre
+# create virtualenv named 'testing'
+virtualenv $HOME/python/testing :pre
 
 # activate 'testing' environment
-source testing/bin/activate :pre
+source $HOME/python/testing/bin/activate :pre
+
+Now configure and compile the LAMMPS shared library as outlined above.
+When using CMake and the shared library has already been build, you
+need to re-run CMake to update the location of the python executable
+to the location in the virtual environment with:
+
+cmake . -DPYTHON_EXECUTABLE=$(which python) :pre
 
 # install LAMMPS package in virtualenv
-(testing) cd $LAMMPS_DIR/python
-(testing) python install.py :pre
+(testing) make install-python :pre
 
 # install other useful packages
 (testing) pip install matplotlib jupyter mpi4py :pre
diff --git a/doc/src/Howto_replica.txt b/doc/src/Howto_replica.txt
index 29d1aa02fd07a63aa4a4eaa7e9cd9943277f1879..505967c1b8f6420948f62212a16e881ad7480a1b 100644
--- a/doc/src/Howto_replica.txt
+++ b/doc/src/Howto_replica.txt
@@ -17,6 +17,7 @@ periodically.
 These are the relevant commands:
 
 "neb"_neb.html for nudged elastic band calculations
+"neb_spin"_neb_spin.html for magnetic nudged elastic band calculations
 "prd"_prd.html for parallel replica dynamics
 "tad"_tad.html for temperature accelerated dynamics
 "temper"_temper.html for parallel tempering
diff --git a/doc/src/Howto_spins.txt b/doc/src/Howto_spins.txt
index 7f16883487e1f608c7ff8be3214cc300a5a16563..80b2a54fe4cb8a34b61819af34f6521b1181d3a0 100644
--- a/doc/src/Howto_spins.txt
+++ b/doc/src/Howto_spins.txt
@@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 Magnetic spins :h3
 
 The magnetic spin simulations are enabled by the SPIN package, whose
-implementation is detailed in "Tranchida"_#Tranchida7.
+implementation is detailed in "Tranchida"_#Tranchida.
 
 The model represents the simulation of atomic magnetic spins coupled
 to lattice vibrations. The dynamics of those magnetic spins can be used
@@ -36,13 +36,28 @@ A Langevin thermostat can be applied to those magnetic spins using
 "fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat
 can be coupled to another Langevin thermostat applied to the atoms
 using "fix langevin"_fix_langevin.html in order to simulate
-thermostatted spin-lattice system.
+thermostatted spin-lattice systems.
 
 The magnetic Gilbert damping can also be applied using "fix
 langevin/spin"_fix_langevin_spin.html. It allows to either dissipate
 the thermal energy of the Langevin thermostat, or to perform a
 relaxation of the magnetic configuration toward an equilibrium state.
 
+The command "fix setforce/spin"_fix_setforce.html allows to set the 
+components of the magnetic precession vectors (while erasing and 
+replacing the previously computed magnetic precession vectors on 
+the atom). 
+This command can be used to freeze the magnetic moment of certain 
+atoms in the simulation by zeroing their precession vector. 
+
+The command "fix nve/spin"_fix_nve_spin.html can be used to
+perform a symplectic integration of the combined dynamics of spins 
+and atomic motions.
+
+The minimization style "min/spin"_min_spin.html can be applied
+to the spins to perform a minimization of the spin configuration. 
+
+
 All the computed magnetic properties can be output by two main
 commands. The first one is "compute spin"_compute_spin.html, that
 enables to evaluate magnetic averaged quantities, such as the total
@@ -54,6 +69,6 @@ magnetic spin, or the magnetic force acting on this spin.
 
 :line
 
-:link(Tranchida7)
+:link(Tranchida)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/Howto_tip3p.txt b/doc/src/Howto_tip3p.txt
index 942b42aea16ea63d2541ca839646f4b77dc9c079..a34577c5e1125fb532e170ac4763f48e7c9f7bb4 100644
--- a/doc/src/Howto_tip3p.txt
+++ b/doc/src/Howto_tip3p.txt
@@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 TIP3P water model :h3
 
 The TIP3P water model as implemented in CHARMM
-"(MacKerell)"_#howto-MacKerell specifies a 3-site rigid water molecule with
+"(MacKerell)"_#howto-tip3p specifies a 3-site rigid water molecule with
 charges and Lennard-Jones parameters assigned to each of the 3 atoms.
 In LAMMPS the "fix shake"_fix_shake.html command can be used to hold
 the two O-H bonds and the H-O-H angle rigid.  A bond style of
@@ -60,6 +60,10 @@ models"_http://en.wikipedia.org/wiki/Water_model.
 
 :line
 
+:link(howto-tip3p)
+[(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field,
+Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
+
 :link(Jorgensen1)
 [(Jorgensen)] Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem
 Phys, 79, 926 (1983).
diff --git a/doc/src/Install_git.txt b/doc/src/Install_git.txt
index bae5bef94f2c72aa71bc2d7339dfe6597cefaa5a..19decde5163d604f3b3c08cb8749c7a121be9ee1 100644
--- a/doc/src/Install_git.txt
+++ b/doc/src/Install_git.txt
@@ -52,7 +52,7 @@ as if you unpacked a current LAMMPS tarball, with the exception, that
 the HTML documentation files are not included.  They can be fetched
 from the LAMMPS website by typing "make fetch" in the doc directory.
 Or they can be generated from the content provided in doc/src by
-typing "make html" from the the doc directory.
+typing "make html" from the doc directory.
 
 After initial cloning, as bug fixes and new features are added to
 LAMMPS, as listed on "this page"_Errors_bugs.html, you can stay
diff --git a/doc/src/Install_linux.txt b/doc/src/Install_linux.txt
index ec063e7a95c31d9d6ee9149c4d9b51dc5373d5d7..9aebd30c05603f3c79376c6b92a03f0b707df046 100644
--- a/doc/src/Install_linux.txt
+++ b/doc/src/Install_linux.txt
@@ -15,7 +15,8 @@ Binaries are available for different versions of Linux:
 "Pre-built Fedora Linux executables"_#fedora
 "Pre-built EPEL Linux executables (RHEL, CentOS)"_#epel
 "Pre-built OpenSuse Linux executables"_#opensuse
-"Gentoo Linux executable"_#gentoo :all(b)
+"Gentoo Linux executable"_#gentoo
+"Arch Linux build-script"_#arch :all(b)
 
 :line
 
@@ -168,3 +169,31 @@ for details.
 
 Thanks to Nicolas Bock and Christoph Junghans (LANL) for setting up
 this Gentoo capability.
+
+:line
+
+Archlinux build-script :h4,link(arch)
+
+LAMMPS is available via Arch's unofficial Arch User repository (AUR).
+
+There are three scripts available, named lammps, lammps-beta and lammps-git.
+They respectively package the stable, patch and git releases.
+
+To install, you will need to have the git package installed. You may use
+any of the above names in-place of lammps.
+
+$ git clone https://aur.archlinux.org/lammps.git :pre
+$ cd lammps :pre
+$ makepkg -s :pre
+# makepkg -i :pre
+
+To update, you may repeat the above, or change into the cloned directory,
+and execute the following, after which, if there are any changes, you may
+use makepkg as above.
+
+$ git pull :pre
+
+Alternatively, you may use an AUR helper to install these packages.
+
+Note that the AUR provides build-scripts that download the source and
+the build the package on your machine.
diff --git a/doc/src/Install_svn.txt b/doc/src/Install_svn.txt
index 84a46865f3361d8ca13e12d2e762a2b20e5c382d..b701c0b04d55f816dbb9a6db318f65f077407d36 100644
--- a/doc/src/Install_svn.txt
+++ b/doc/src/Install_svn.txt
@@ -40,7 +40,7 @@ as if you unpacked a current LAMMPS tarball, with the exception, that
 the HTML documentation files are not included.  They can be fetched
 from the LAMMPS website by typing "make fetch" in the doc directory.
 Or they can be generated from the content provided in doc/src by
-typing "make html" from the the doc directory.
+typing "make html" from the doc directory.
 
 After initial checkout, as bug fixes and new features are added to
 LAMMPS, as listed on "this page"_Errors_bugs.html, you can stay
diff --git a/doc/src/JPG/coul_soft.jpg b/doc/src/JPG/coul_soft.jpg
index d2cc4c0c9af061cd00618ce42821a845073fbe2c..618d23b3060498b188b937ece2682f5f5911137f 100644
Binary files a/doc/src/JPG/coul_soft.jpg and b/doc/src/JPG/coul_soft.jpg differ
diff --git a/doc/src/Eqs/dreiding_hbond.jpg b/doc/src/JPG/dreiding_hbond.jpg
similarity index 100%
rename from doc/src/Eqs/dreiding_hbond.jpg
rename to doc/src/JPG/dreiding_hbond.jpg
diff --git a/doc/src/JPG/lj_soft.jpg b/doc/src/JPG/lj_soft.jpg
index 47c6a04b9183d3af54795000ccde6732c6f075d6..98404f857d351a86433f2a20ebcbb0eeeea43748 100644
Binary files a/doc/src/JPG/lj_soft.jpg and b/doc/src/JPG/lj_soft.jpg differ
diff --git a/doc/src/JPG/uef_frames.jpg b/doc/src/JPG/uef_frames.jpg
index 3b3bfc3a245de1b00d594f865b9c93f1149deffd..933c3e292552767914607edd187a5bdba5605e63 100644
Binary files a/doc/src/JPG/uef_frames.jpg and b/doc/src/JPG/uef_frames.jpg differ
diff --git a/doc/src/Eqs/umbrella.jpg b/doc/src/JPG/umbrella.jpg
similarity index 100%
rename from doc/src/Eqs/umbrella.jpg
rename to doc/src/JPG/umbrella.jpg
diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index 3b3d31d4c41ac2188f28ea938574f441233cea52..ba6ab8aac70bc906473576a824aaf9c9b05bc788 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="8 Feb 2019 version">
+<META NAME="docnumber" CONTENT="18 Jun 2019 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-8 Feb 2019 version :c,h2
+18 Jun 2019 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/doc/src/PDF/colvars-refman-lammps.pdf b/doc/src/PDF/colvars-refman-lammps.pdf
index 07d82544759e2c3fd3a98b45cff0afc3066f15b1..6194424212c1386e5f57a0a5e917fcbd74536a18 100644
Binary files a/doc/src/PDF/colvars-refman-lammps.pdf and b/doc/src/PDF/colvars-refman-lammps.pdf differ
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 7d3d6d13e2edbc846454b689909958d0bd7d6284..bd5addda6f677bff77f6d51b8b86a42342f172e3 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -63,6 +63,7 @@ as contained in the file name.
 "SRD"_#PKG-SRD,
 "VORONOI"_#PKG-VORONOI :tb(c=6,ea=c)
 
+"USER-ADIOS"_#PKG-USER-ADIOS,
 "USER-ATC"_#PKG-USER-ATC,
 "USER-AWPMD"_#PKG-USER-AWPMD,
 "USER-BOCS"_#PKG-USER-BOCS,
@@ -207,7 +208,7 @@ available on your system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#compress on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -340,23 +341,24 @@ KIM package :link(PKG-KIM),h4
 A "pair_style kim"_pair_kim.html command which is a wrapper on the
 Knowledge Base for Interatomic Models (KIM) repository of interatomic
 potentials, enabling any of them to be used in LAMMPS simulations.
+Also a "kim_query"_kim_query.html command, which allows to query
+the OpenKIM database for stored properties.
 
 To use this package you must have the KIM library available on your
 system.
 
 Information about the KIM project can be found at its website:
 https://openkim.org.  The KIM project is led by Ellad Tadmor and Ryan
-Elliott (U Minnesota) and James Sethna (Cornell U).
+Elliott (U Minnesota).
 
 [Authors:] Ryan Elliott (U Minnesota) is the main developer for the KIM
 API which the "pair_style kim"_pair_kim.html command uses.  He
-developed the pair style in collaboration with Valeriu Smirichinski (U
-Minnesota).
+developed the pair style.
 
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#kim on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -402,7 +404,7 @@ lib/kokkos.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#kokkos on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -475,7 +477,7 @@ Cawkwell, Anders Niklasson, and Christian Negre.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#latte on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -652,7 +654,7 @@ University of Chicago.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#mscg on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -684,7 +686,7 @@ and Vincent Natoli (Stone Ridge Technolgy).
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#opt on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -704,7 +706,7 @@ PERI package :link(PKG-PERI),h4
 
 An atom style, several pair styles which implement different
 Peridynamics materials models, and several computes which calculate
-diagnostics.  Peridynamics is a a particle-based meshless continuum
+diagnostics.  Peridynamics is a particle-based meshless continuum
 model.
 
 [Authors:] The original package was created by Mike Parks (Sandia).
@@ -741,7 +743,7 @@ connections at hinge points.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#poems on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -773,7 +775,7 @@ lib/python/README for more details.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#python on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -903,12 +905,14 @@ SPIN package :link(PKG-SPIN),h4
 Model atomic magnetic spins classically, coupled to atoms moving in
 the usual manner via MD.  Various pair, fix, and compute styles.
 
-[Author:] Julian Tranchida (Sandia).
+[Author:] Julien Tranchida (Sandia).
 
 [Supporting info:]
 
 src/SPIN: filenames -> commands
 "Howto spins"_Howto_spins.html
+"pair_style spin/dipole/cut"_pair_spin_dipole.html
+"pair_style spin/dipole/long"_pair_spin_dipole.html
 "pair_style spin/dmi"_pair_spin_dmi.html
 "pair_style spin/exchange"_pair_spin_exchange.html
 "pair_style spin/magelec"_pair_spin_magelec.html
@@ -916,6 +920,7 @@ src/SPIN: filenames -> commands
 "fix nve/spin"_fix_nve_spin.html
 "fix precession/spin"_fix_precession_spin.html
 "compute spin"_compute_spin.html
+"neb/spin"_neb_spin.html
 examples/SPIN :ul
 
 :line
@@ -962,7 +967,7 @@ and LBNL.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#voronoi on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -975,6 +980,31 @@ examples/voronoi :ul
 
 :line
 
+USER-ADIOS package :link(PKG-USER-ADIOS),h4
+
+[Contents:]
+
+ADIOS is a high-performance I/O library. This package implements the 
+dump "atom/adios" and dump "custom/adios" commands to write data using
+the ADIOS library. 
+
+[Authors:] Norbert Podhorszki (ORNL) from the ADIOS developer team.
+
+[Install:]
+
+This package has "specific installation
+instructions"_Build_extras.html#user-adios on the "Build
+extras"_Build_extras.html doc page.
+
+[Supporting info:]
+
+src/USER-ADIOS: filenames -> commands
+src/USER-ADIOS/README
+examples/USER/adios
+https://github.com/ornladios/ADIOS2 :ul
+
+:line
+
 USER-ATC package :link(PKG-USER-ATC),h4
 
 [Contents:]
@@ -989,7 +1019,7 @@ atomic information to continuum fields.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-atc on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1016,7 +1046,7 @@ model.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-awpmd on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1156,7 +1186,7 @@ Tribello.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-plumed on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1201,7 +1231,7 @@ isothermal, isoenergetic, isobaric and isenthalpic conditions are
 included.  These enable long timesteps via the Shardlow splitting
 algorithm.
 
-[Authors:] Jim Larentzos (ARL), Tim Mattox (Engility Corp), and and John
+[Authors:] Jim Larentzos (ARL), Tim Mattox (Engility Corp), and John
 Brennan (ARL).
 
 [Supporting info:]
@@ -1334,7 +1364,7 @@ H5MD format.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-h5md on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1372,7 +1402,7 @@ NOTE: the USER-INTEL package contains styles that require using the
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-intel on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1509,7 +1539,7 @@ USER-MESO package :link(PKG-USER-MESO),h4
 
 [Contents:]
 
-Several extensions of the the dissipative particle dynamics (DPD)
+Several extensions of the dissipative particle dynamics (DPD)
 method.  Specifically, energy-conserving DPD (eDPD) that can model
 non-isothermal processes, many-body DPD (mDPD) for simulating
 vapor-liquid coexistence, and transport DPD (tDPD) for modeling
@@ -1592,7 +1622,7 @@ at
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-molfile on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1632,7 +1662,7 @@ tools:
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-netcdf on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1676,7 +1706,7 @@ install/un-install the package and build LAMMPS in the usual manner:
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-omp on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1700,14 +1730,19 @@ USER-PHONON package :link(PKG-USER-PHONON),h4
 A "fix phonon"_fix_phonon.html command that calculates dynamical
 matrices, which can then be used to compute phonon dispersion
 relations, directly from molecular dynamics simulations.
+And a "dynamical_matrix" command to compute the dynamical matrix
+from finite differences.
+
+[Authors:] Ling-Ti Kong (Shanghai Jiao Tong University) for "fix phonon"
+and Charlie Sievers (UC Davis) for "dynamical_matrix"
 
-[Author:] Ling-Ti Kong (Shanghai Jiao Tong University).
 
 [Supporting info:]
 
 src/USER-PHONON: filenames -> commands
 src/USER-PHONON/README
 "fix phonon"_fix_phonon.html
+"dynamical_matrix"_dynamical_matrix.html
 examples/USER/phonon :ul
 
 :line
@@ -1755,7 +1790,7 @@ without changes to LAMMPS itself.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-qmmm on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1813,7 +1848,7 @@ on your system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-quip on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1931,7 +1966,7 @@ Dynamics, Ernst Mach Institute, Germany).
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-smd on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -2057,7 +2092,7 @@ system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-vtk on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -2102,5 +2137,3 @@ src/USER-YAFF/README
 "pair_style mm3/switch3/coulgauss/long"_pair_mm3_switch3_coulgauss.html
 "pair_style lj/switch3/coulgauss/long"_pair_lj_switch3_coulgauss.html
 examples/USER/yaff :ul
-
-
diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt
index 4a702e971fe526c00298996da98776d2f0224f28..4210f617ef2ac55eff2c9661443215e7b25be4e6 100644
--- a/doc/src/Packages_user.txt
+++ b/doc/src/Packages_user.txt
@@ -38,6 +38,7 @@ int = internal library: provided with LAMMPS, but you may need to build it
 ext = external library: you will need to download and install it on your machine :ul
 
 Package, Description, Doc page, Example, Library
+"USER-ADIOS"_Packages_details.html#PKG-USER-ADIOS, dump output via ADIOS, "dump adios"_dump_adios.html, USER/adios, ext
 "USER-ATC"_Packages_details.html#PKG-USER-ATC, Atom-to-Continuum coupling, "fix atc"_fix_atc.html, USER/atc, int
 "USER-AWPMD"_Packages_details.html#PKG-USER-AWPMD, wave packet MD, "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, int
 "USER-BOCS"_Packages_details.html#PKG-USER-BOCS, BOCS bottom up coarse graining, "fix bocs"_fix_bocs.html, USER/bocs, no
diff --git a/doc/src/Python_install.txt b/doc/src/Python_install.txt
index 97f6bf3c3a6ba5c21bb9f043d9d7313b769c7742..2c134974f59aac7e0550b63c682e577d1a5563bd 100644
--- a/doc/src/Python_install.txt
+++ b/doc/src/Python_install.txt
@@ -12,16 +12,23 @@ Installing LAMMPS in Python :h3
 For Python to invoke LAMMPS, there are 2 files it needs to know about:
 
 python/lammps.py
-src/liblammps.so :ul
+liblammps.so or liblammps.dylib :ul
 
-Lammps.py is the Python wrapper on the LAMMPS library interface.
-Liblammps.so is the shared LAMMPS library that Python loads, as
-described above.
+The python source code in lammps.py is the Python wrapper on the
+LAMMPS library interface. The liblammps.so or liblammps.dylib file
+is the shared LAMMPS library that Python loads dynamically.
 
-You can insure Python can find these files in one of two ways:
+You can achieve that Python can find these files in one of two ways:
 
-set two environment variables
-run the python/install.py script :ul
+set two environment variables pointing to the location in the source tree
+run "make install-python" or run the python/install.py script explicitly :ul
+
+When calling "make install-python" LAMMPS will try to install the
+python module and the shared library into the python site-packages folders;
+either the system-wide ones, or the local users ones (in case of insufficient
+permissions for the global install). Python will then find the module
+and shared library file automatically. The exact location of these folders
+depends on your python version and your operating system.
 
 If you set the paths to these files as environment variables, you only
 have to do it once.  For the csh or tcsh shells, add something like
@@ -30,42 +37,28 @@ this to your ~/.cshrc file, one line for each of the two files:
 setenv PYTHONPATH $\{PYTHONPATH\}:/home/sjplimp/lammps/python
 setenv LD_LIBRARY_PATH $\{LD_LIBRARY_PATH\}:/home/sjplimp/lammps/src :pre
 
-If you use the python/install.py script, you need to invoke it every
-time you rebuild LAMMPS (as a shared library) or make changes to the
-python/lammps.py file.
-
-You can invoke install.py from the python directory as
-
-% python install.py \[libdir\] \[pydir\] :pre
-
-The optional libdir is where to copy the LAMMPS shared library to; the
-default is /usr/local/lib.  The optional pydir is where to copy the
-lammps.py file to; the default is the site-packages directory of the
-version of Python that is running the install script.
-
-Note that libdir must be a location that is in your default
-LD_LIBRARY_PATH, like /usr/local/lib or /usr/lib.  And pydir must be a
-location that Python looks in by default for imported modules, like
-its site-packages dir.  If you want to copy these files to
-non-standard locations, such as within your own user space, you will
-need to set your PYTHONPATH and LD_LIBRARY_PATH environment variables
-accordingly, as above.
+On MacOSX you may also need to set DYLD_LIBRARY_PATH accordingly.
+For Bourne/Korn shells accordingly into the corresponding files using
+the "export" shell builtin.
 
-If the install.py script does not allow you to copy files into system
-directories, prefix the python command with "sudo".  If you do this,
-make sure that the Python that root runs is the same as the Python you
-run.  E.g. you may need to do something like
+If you use "make install-python" or the python/install.py script, you need
+to invoke it every time you rebuild LAMMPS (as a shared library) or
+make changes to the python/lammps.py file, so that the site-packages
+files are updated with the new version.
 
-% sudo /usr/local/bin/python install.py \[libdir\] \[pydir\] :pre
+If the default settings of "make install-python" are not what you want,
+you can invoke install.py from the python directory manually as
 
-You can also invoke install.py from the make command in the src
-directory as
+% python install.py -m \<python module\> -l <shared library> -v <version.h file> \[-d \<pydir\>\] :pre
 
-% make install-python :pre
+The -m flag points to the lammps.py python module file to be installed,
+the -l flag points to the LAMMPS shared library file to be installed,
+the -v flag points to the version.h file in the LAMMPS source
+and the optional -d flag to a custom (legacy) installation folder :ul
 
-In this mode you cannot append optional arguments.  Again, you may
-need to prefix this with "sudo".  In this mode you cannot control
-which Python is invoked by root.
+If you use a legacy installation folder, you will need to set your
+PYTHONPATH and LD_LIBRARY_PATH (and/or DYLD_LIBRARY_PATH) environment
+variables accordingly, as described above.
 
 Note that if you want Python to be able to load different versions of
 the LAMMPS shared library (see "this section"_Python_shlib.html), you will
diff --git a/doc/src/Python_library.txt b/doc/src/Python_library.txt
index e76af83962336cb267a738f4cfee4ad84c41f9dc..d9ddbe0cbb5c9a260e94b560dd4b36d3acbecac4 100644
--- a/doc/src/Python_library.txt
+++ b/doc/src/Python_library.txt
@@ -180,7 +180,7 @@ doubles is returned, one value per atom, which you can use via normal
 Python subscripting. The values will be zero for atoms not in the
 specified group.
 
-The get_thermo() method returns returns the current value of a thermo
+The get_thermo() method returns the current value of a thermo
 keyword as a float.
 
 The get_natoms() method returns the total number of atoms in the
diff --git a/doc/src/Python_overview.txt b/doc/src/Python_overview.txt
index a5d6a469ffdaffddfe5347e1c5ecaec0be5257cb..0195ec2b2005094b60802b38204a7a46d2d8e953 100644
--- a/doc/src/Python_overview.txt
+++ b/doc/src/Python_overview.txt
@@ -13,11 +13,11 @@ Overview of Python and LAMMPS :h3
 LAMMPS can work together with Python in three ways.  First, Python can
 wrap LAMMPS through the its "library interface"_Howto_library.html, so
 that a Python script can create one or more instances of LAMMPS and
-launch one or more simulations.  In Python lingo, this is "extending"
-Python with LAMMPS.
+launch one or more simulations.  In Python lingo, this is called
+"extending" Python with a LAMMPS module.
 
 Second, a lower-level Python interface can be used indirectly through
-provided PyLammps and IPyLammps wrapper classes, written in Python.
+the provided PyLammps and IPyLammps wrapper classes, written in Python.
 These wrappers try to simplify the usage of LAMMPS in Python by
 providing an object-based interface to common LAMMPS functionality.
 They also reduces the amount of code necessary to parameterize LAMMPS
@@ -25,11 +25,12 @@ scripts through Python and make variables and computes directly
 accessible.
 
 Third, LAMMPS can use the Python interpreter, so that a LAMMPS
-input script can invoke Python code directly, and pass information
-back-and-forth between the input script and Python functions you
-write.  This Python code can also callback to LAMMPS to query or change
-its attributes.  In Python lingo, this is "embedding" Python in
-LAMMPS.  When used in this mode, Python can perform operations that
-the simple LAMMPS input script syntax cannot.
+input script or styles can invoke Python code directly, and pass
+information back-and-forth between the input script and Python
+functions you write.  This Python code can also callback to LAMMPS
+to query or change its attributes through the LAMMPS Python module
+mentioned above.  In Python lingo, this is "embedding" Python in
+LAMMPS.  When used in this mode, Python can perform script operations
+that the simple LAMMPS input script syntax can not.
 
 
diff --git a/doc/src/Run_options.txt b/doc/src/Run_options.txt
index 9c12b3ff2468f37ce362eda040acaa4a362e0ee6..87b272a866d541d72d65fea293dfc0b1c07c3b73 100644
--- a/doc/src/Run_options.txt
+++ b/doc/src/Run_options.txt
@@ -79,7 +79,7 @@ stdin.
 Explicitly enable or disable KOKKOS support, as provided by the KOKKOS
 package.  Even if LAMMPS is built with this package, as described
 in "Speed kokkos"_Speed_kokkos.html, this switch must be set to enable
-running with the KOKKOS-enabled styles the package provides.  If the
+running with KOKKOS-enabled styles the package provides.  If the
 switch is not set (the default), LAMMPS will operate as if the KOKKOS
 package were not installed; i.e. you can run standard LAMMPS or with
 the GPU or USER-OMP packages, for testing or benchmarking purposes.
@@ -242,7 +242,7 @@ processors.
 
 Running with multiple partitions can be useful for running
 "multi-replica simulations"_Howto_replica.html, where each replica
-runs on on one or a few processors.  Note that with MPI installed on a
+runs on one or a few processors.  Note that with MPI installed on a
 machine (e.g. your desktop), you can run on more (virtual) processors
 than you have physical processors.
 
@@ -448,7 +448,7 @@ partition screen files file.N.
 [-suffix style args] :link(suffix)
 
 Use variants of various styles if they exist.  The specified style can
-be {cuda}, {gpu}, {intel}, {kk}, {omp}, {opt}, or {hybrid}.  These
+be {gpu}, {intel}, {kk}, {omp}, {opt}, or {hybrid}.  These
 refer to optional packages that LAMMPS can be built with, as described
 in "Accelerate performance"_Speed.html.  The "gpu" style corresponds to the
 GPU package, the "intel" style to the USER-INTEL package, the "kk"
diff --git a/doc/src/Run_output.txt b/doc/src/Run_output.txt
index 7d5a9e6ae6af55629a6bd25d5e06d0cd3f8e1f93..70eecff20dbbe14a232dbe29eef50be55078b773 100644
--- a/doc/src/Run_output.txt
+++ b/doc/src/Run_output.txt
@@ -93,7 +93,7 @@ monitor thread utilization and load balance is provided. A new {Thread
 timings} section is also added, which lists the time spent in reducing
 the per-thread data elements to the storage for non-threaded
 computation. These thread timings are measured for the first MPI rank
-only and and thus, because the breakdown for MPI tasks can change from
+only and thus, because the breakdown for MPI tasks can change from
 MPI rank to MPI rank, this breakdown can be very different for
 individual ranks. Here is an example output for this section:
 
diff --git a/doc/src/Speed_compare.txt b/doc/src/Speed_compare.txt
index c93407515e5cebe6b8e278c62ea36b731c2b121b..c95af3cb22e607966e21d7fe4576efaffbc493b8 100644
--- a/doc/src/Speed_compare.txt
+++ b/doc/src/Speed_compare.txt
@@ -104,7 +104,7 @@ code (with a performance penalty due to having data transfers between
 host and GPU). :ulb,l
 
 The GPU package requires neighbor lists to be built on the CPU when using
-exclusion lists, hybrid pair styles, or a triclinic simulation box. :l
+exclusion lists, or a triclinic simulation box. :l
 
 The GPU package can be compiled for CUDA or OpenCL and thus supports
 both, Nvidia and AMD GPUs well. On Nvidia hardware, using CUDA is typically
diff --git a/doc/src/Speed_intel.txt b/doc/src/Speed_intel.txt
index da772f29fd882f6049d5ea3dd312150d373e68b6..2688b43e6f9cc081d7ace5332b31cd46aa609833 100644
--- a/doc/src/Speed_intel.txt
+++ b/doc/src/Speed_intel.txt
@@ -24,7 +24,7 @@ LAMMPS to run on the CPU cores and co-processor cores simultaneously.
 
 Angle Styles: charmm, harmonic :ulb,l
 Bond Styles: fene, fourier, harmonic :l
-Dihedral Styles: charmm, harmonic, opls :l
+Dihedral Styles: charmm, fourier, harmonic, opls :l
 Fixes: nve, npt, nvt, nvt/sllod, nve/asphere :l
 Improper Styles: cvff, harmonic :l
 Pair Styles: airebo, airebo/morse, buck/coul/cut, buck/coul/long,
@@ -34,6 +34,10 @@ rebo, sw, tersoff :l
 K-Space Styles: pppm, pppm/disp :l
 :ule
 
+IMPORTANT NOTE: None of the styles in the USER-INTEL package currently
+support computing per-atom stress.  If any compute or fix in your
+input requires it, LAMMPS will abort with an error message.
+
 [Speed-ups to expect:]
 
 The speedups will depend on your simulation, the hardware, which
diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt
index ef193d740197d2c9f70203d5c437df9cb9e728d7..fd3349125319f08fb67fe51c415e25f8745afe52 100644
--- a/doc/src/Speed_kokkos.txt
+++ b/doc/src/Speed_kokkos.txt
@@ -46,7 +46,7 @@ software version 7.5 or later must be installed on your system. See
 the discussion for the "GPU package"_Speed_gpu.html for details of how
 to check and do this.
 
-NOTE: Kokkos with CUDA currently implicitly assumes, that the MPI
+NOTE: Kokkos with CUDA currently implicitly assumes that the MPI
 library is CUDA-aware and has support for GPU-direct. This is not
 always the case, especially when using pre-compiled MPI libraries
 provided by a Linux distribution. This is not a problem when using
@@ -111,16 +111,10 @@ Makefile.kokkos_mpi_only) will give better performance than the OpenMP
 back end (i.e. Makefile.kokkos_omp) because some of the overhead to make
 the code thread-safe is removed.
 
-NOTE: The default for the "package kokkos"_package.html command is to
-use "full" neighbor lists and set the Newton flag to "off" for both
-pairwise and bonded interactions. However, when running on CPUs, it
-will typically be faster to use "half" neighbor lists and set the
-Newton flag to "on", just as is the case for non-accelerated pair
-styles. It can also be faster to use non-threaded communication.  Use
-the "-pk kokkos" "command-line switch"_Run_options.html to change the
-default "package kokkos"_package.html options. See its doc page for
-details and default settings. Experimenting with its options can
-provide a speed-up for specific calculations. For example:
+NOTE: Use the "-pk kokkos" "command-line switch"_Run_options.html to 
+change the default "package kokkos"_package.html options. See its doc 
+page for details and default settings. Experimenting with its options 
+can provide a speed-up for specific calculations. For example: 
 
 mpirun -np 16 lmp_kokkos_mpi_only -k on -sf kk -pk kokkos newton on neigh half comm no -in in.lj       # Newton on, Half neighbor list, non-threaded comm :pre
 
@@ -190,19 +184,18 @@ tasks/node. The "-k on t Nt" command-line switch sets the number of
 threads/task as Nt. The product of these two values should be N, i.e.
 256 or 264.
 
-NOTE: The default for the "package kokkos"_package.html command is to
-use "full" neighbor lists and set the Newton flag to "off" for both
-pairwise and bonded interactions. When running on KNL, this will
-typically be best for pair-wise potentials. For many-body potentials,
-using "half" neighbor lists and setting the Newton flag to "on" may be
-faster. It can also be faster to use non-threaded communication.  Use
-the "-pk kokkos" "command-line switch"_Run_options.html to change the
-default "package kokkos"_package.html options. See its doc page for
-details and default settings. Experimenting with its options can
-provide a speed-up for specific calculations. For example:
+NOTE: The default for the "package kokkos"_package.html command when 
+running on KNL is to use "half" neighbor lists and set the Newton flag 
+to "on" for both pairwise and bonded interactions. This will typically 
+be best for many-body potentials. For simpler pair-wise potentials, it 
+may be faster to use a "full" neighbor list with Newton flag to "off". 
+Use the "-pk kokkos" "command-line switch"_Run_options.html to change 
+the default "package kokkos"_package.html options. See its doc page for 
+details and default settings. Experimenting with its options can provide 
+a speed-up for specific calculations. For example: 
 
-mpirun -np 64 lmp_kokkos_phi -k on t 4 -sf kk -pk kokkos comm no -in in.lj      #  Newton off, full neighbor list, non-threaded comm
-mpirun -np 64 lmp_kokkos_phi -k on t 4 -sf kk -pk kokkos newton on neigh half comm no -in in.reax      # Newton on, half neighbor list, non-threaded comm :pre
+mpirun -np 64 lmp_kokkos_phi -k on t 4 -sf kk -pk kokkos comm host -in in.reax      #  Newton on, half neighbor list, threaded comm
+mpirun -np 64 lmp_kokkos_phi -k on t 4 -sf kk -pk kokkos newton off neigh full comm no -in in.lj      # Newton off, full neighbor list, non-threaded comm :pre
 
 NOTE: MPI tasks and threads should be bound to cores as described
 above for CPUs.
@@ -214,19 +207,21 @@ supports.
 
 [Running on GPUs:]
 
-Use the "-k" "command-line switch"_Run_options.html to
-specify the number of GPUs per node. Typically the -np setting of the
-mpirun command should set the number of MPI tasks/node to be equal to
-the number of physical GPUs on the node.  You can assign multiple MPI
-tasks to the same GPU with the KOKKOS package, but this is usually
-only faster if significant portions of the input script have not
-been ported to use Kokkos. Using CUDA MPS is recommended in this
-scenario. Using a CUDA-aware MPI library with support for GPU-direct
-is highly recommended. GPU-direct use can be avoided by using
-"-pk kokkos gpu/direct no"_package.html.
-As above for multi-core CPUs (and no GPU), if N is the number of
-physical cores/node, then the number of MPI tasks/node should not
-exceed N.
+Use the "-k" "command-line switch"_Run_options.html to specify the 
+number of GPUs per node. Typically the -np setting of the mpirun command 
+should set the number of MPI tasks/node to be equal to the number of 
+physical GPUs on the node. You can assign multiple MPI tasks to the same 
+GPU with the KOKKOS package, but this is usually only faster if some 
+portions of the input script have not been ported to use Kokkos. In this 
+case, also packing/unpacking communication buffers on the host may give 
+speedup (see the KOKKOS "package"_package.html command). Using CUDA MPS 
+is recommended in this scenario.
+
+Using a CUDA-aware MPI library with 
+support for GPU-direct is highly recommended. GPU-direct use can be 
+avoided by using "-pk kokkos gpu/direct no"_package.html. As above for 
+multi-core CPUs (and no GPU), if N is the number of physical cores/node, 
+then the number of MPI tasks/node should not exceed N.
 
 -k on g Ng :pre
 
@@ -236,19 +231,19 @@ one or more nodes, each with two GPUs:
 mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -in in.lj          # 1 node,   2 MPI tasks/node, 2 GPUs/node
 mpirun -np 32 -ppn 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -in in.lj  # 16 nodes, 2 MPI tasks/node, 2 GPUs/node (32 GPUs total) :pre
 
-NOTE: The default for the "package kokkos"_package.html command is to
-use "full" neighbor lists and set the Newton flag to "off" for both
-pairwise and bonded interactions, along with threaded communication.
-When running on Maxwell or Kepler GPUs, this will typically be
-best. For Pascal GPUs, using "half" neighbor lists and setting the
-Newton flag to "on" may be faster. For many pair styles, setting the
-neighbor binsize equal to the ghost atom cutoff will give speedup.
-Use the "-pk kokkos" "command-line switch"_Run_options.html to change
-the default "package kokkos"_package.html options. See its doc page
-for details and default settings. Experimenting with its options can
-provide a speed-up for specific calculations. For example:
-
-mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -pk kokkos binsize 2.8 -in in.lj      # Set binsize = neighbor ghost cutoff
+NOTE: The default for the "package kokkos"_package.html command when 
+running on GPUs is to use "full" neighbor lists and set the Newton flag 
+to "off" for both pairwise and bonded interactions, along with threaded 
+communication. When running on Maxwell or Kepler GPUs, this will 
+typically be best. For Pascal GPUs, using "half" neighbor lists and 
+setting the Newton flag to "on" may be faster. For many pair styles, 
+setting the neighbor binsize equal to twice the CPU default value will 
+give speedup, which is the default when running on GPUs. Use the "-pk 
+kokkos" "command-line switch"_Run_options.html to change the default 
+"package kokkos"_package.html options. See its doc page for details and 
+default settings. Experimenting with its options can provide a speed-up 
+for specific calculations. For example: 
+
 mpirun -np 2 lmp_kokkos_cuda_openmpi -k on g 2 -sf kk -pk kokkos newton on neigh half binsize 2.8 -in in.lj      # Newton on, half neighbor list, set binsize = neighbor ghost cutoff :pre
 
 NOTE: For good performance of the KOKKOS package on GPUs, you must
diff --git a/doc/src/Tools.txt b/doc/src/Tools.txt
index af9fd4298c467b0d573cadb74327f85d78f1270c..eb7b6d81b880e95126608b593fbc7955f83891c0 100644
--- a/doc/src/Tools.txt
+++ b/doc/src/Tools.txt
@@ -77,6 +77,7 @@ Post-processing tools :h3
 "python"_#pythontools,
 "reax"_#reax_tool,
 "smd"_#smd,
+"spin"_#spin,
 "xmgrace"_#xmgrace :tb(c=6,ea=c,a=l)
 
 Miscellaneous tools :h3
@@ -511,6 +512,20 @@ Ernst Mach Institute in Germany (georg.ganzenmueller at emi.fhg.de).
 
 :line
 
+spin tool :h4,link(spin)
+
+The spin sub-directory contains a C file interpolate.c which can
+be compiled and used to perform a cubic polynomial interpolation of 
+the MEP following a GNEB calculation.
+
+See the README file in tools/spin/interpolate_gneb for more details.
+
+This tool was written by the SPIN package author, Julien
+Tranchida at Sandia National Labs (jtranch at sandia.gov, and by Aleksei 
+Ivanov, at University of Iceland (ali5 at hi.is).
+
+:line
+
 vim tool :h4,link(vim)
 
 The files in the tools/vim directory are add-ons to the VIM editor
diff --git a/doc/src/commands_list.txt b/doc/src/commands_list.txt
index 78fa9fbf87a02e792cd664de51580b967ed360ae..cf716df9acd0c9d3bd68390ea755ed644d16388f 100644
--- a/doc/src/commands_list.txt
+++ b/doc/src/commands_list.txt
@@ -32,6 +32,7 @@ Commands :h1
    dimension
    displace_atoms
    dump
+   dump_adios
    dump_cfg_uef
    dump_h5md
    dump_image
@@ -39,6 +40,7 @@ Commands :h1
    dump_molfile
    dump_netcdf
    dump_vtk
+   dynamical_matrix
    echo
    fix
    fix_modify
@@ -51,6 +53,7 @@ Commands :h1
    include
    info
    jump
+   kim_query
    kspace_modify
    kspace_style
    label
@@ -59,10 +62,12 @@ Commands :h1
    mass
    message
    min_modify
+   min_spin
    min_style
    minimize
    molecule
    neb
+   neb_spin
    neigh_modify
    neighbor
    newton
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index 4886e73ab6b311469fb136107326a6fe57588b45..87dbee57d654dd32d80e398be7923480abe45fcd 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -54,9 +54,10 @@ local quantities have the word "local" in their style,
 e.g. {bond/local}.  Styles with neither "atom" or "local" in their
 style produce global quantities.
 
-Note that a single compute produces either global or per-atom or local
-quantities, but never more than one of these (with only a few
-exceptions, as documented by individual compute commands).
+Note that a single compute can produce either global or per-atom or
+local quantities, but not both global and per-atom.  It can produce
+local quantities in tandem with global or per-atom quantities.  The
+compute doc page will explain.
 
 Global, per-atom, and local quantities each come in three kinds: a
 single scalar value, a vector of values, or a 2d array of values.  The
diff --git a/doc/src/compute_chunk_atom.txt b/doc/src/compute_chunk_atom.txt
index b924f90da8a452f1c8e471e289908a8ce352f760..c6dfddbd55aa94929911d8f6e9199e32050de893 100644
--- a/doc/src/compute_chunk_atom.txt
+++ b/doc/src/compute_chunk_atom.txt
@@ -468,7 +468,7 @@ property/chunk"_compute_property_chunk.html command.
 NOTE: The compression operation requires global communication across
 all processors to share their chunk ID values.  It can require large
 memory on every processor to store them, even after they are
-compressed, if there are are a large number of unique chunk IDs with
+compressed, if there are a large number of unique chunk IDs with
 atoms assigned to them.  It uses a STL map to find unique chunk IDs
 and store them in sorted order.  Each time an atom is assigned a
 compressed chunk ID, it must access the STL map.  All of this means
diff --git a/doc/src/compute_chunk_spread_atom.txt b/doc/src/compute_chunk_spread_atom.txt
index 5f65900a4946d7b4d23e987100c62f0f19fc03f7..4afb62683eaf84be70b98310252827b15ab1cf31 100644
--- a/doc/src/compute_chunk_spread_atom.txt
+++ b/doc/src/compute_chunk_spread_atom.txt
@@ -49,7 +49,7 @@ For inputs that are computes, they must be a compute that calculates
 per-chunk values.  These are computes whose style names end in
 "/chunk".
 
-For inputs that are fixes, they should be a a fix that calculates
+For inputs that are fixes, they should be a fix that calculates
 per-chunk values.  For example, "fix ave/chunk"_fix_ave_chunk.html or
 "fix ave/time"_fix_ave_time.html (assuming it is time-averaging
 per-chunk data).
diff --git a/doc/src/compute_coord_atom.txt b/doc/src/compute_coord_atom.txt
index ddc4cc82d30483aa2e5352ed034da9a48bfdb87b..af0be4be562fdd4633bac50d142830fe15880897 100644
--- a/doc/src/compute_coord_atom.txt
+++ b/doc/src/compute_coord_atom.txt
@@ -15,8 +15,9 @@ compute ID group-ID coord/atom cstyle args ... :pre
 ID, group-ID are documented in "compute"_compute.html command :ulb,l
 coord/atom = style name of this compute command :l
 cstyle = {cutoff} or {orientorder} :l
-  {cutoff} args = cutoff typeN
+  {cutoff} args = cutoff \[group group2-ID\] typeN
     cutoff = distance within which to count coordination neighbors (distance units)
+    group {group2-ID} = select group-ID to restrict which atoms to consider for coordination number (optional)
     typeN = atom type for Nth coordination count (see asterisk form below)
   {orientorder} args = orientorderID threshold
     orientorderID = ID of an orientorder/atom compute
@@ -28,6 +29,7 @@ cstyle = {cutoff} or {orientorder} :l
 compute 1 all coord/atom cutoff 2.0
 compute 1 all coord/atom cutoff 6.0 1 2
 compute 1 all coord/atom cutoff 6.0 2*4 5*8 *
+compute 1 solute coord/atom cutoff 2.0 group solvent
 compute 1 all coord/atom orientorder 2 0.5 :pre
 
 [Description:]
@@ -38,9 +40,14 @@ meaning of the resulting value depend on the {cstyle} keyword used.
 
 The {cutoff} cstyle calculates one or more traditional coordination
 numbers for each atom.  A coordination number is defined as the number
-of neighbor atoms with specified atom type(s) that are within the
-specified cutoff distance from the central atom.  Atoms not in the
-specified group are included in the coordination number tally.
+of neighbor atoms with specified atom type(s), and optionally within
+the specified group, that are within the specified cutoff distance from
+the central atom. The compute group selects only the central atoms; all
+neighboring atoms, unless selected by type, type range, or group option,
+are included in the coordination number tally.
+
+The optional {group} keyword allows to specify from which group atoms
+contribute to the coordination number. Default setting is group 'all'. 
 
 The {typeN} keywords allow specification of which atom types
 contribute to each coordination number.  One coordination number is
@@ -122,7 +129,9 @@ explained above.
 "compute cluster/atom"_compute_cluster_atom.html
 "compute orientorder/atom"_compute_orientorder_atom.html
 
-[Default:] none
+[Default:]
+
+group = all
 
 :line
 
diff --git a/doc/src/compute_group_group.txt b/doc/src/compute_group_group.txt
index cff3687354589ab402cbe03114425ec9baf04985..5dfd8cf60b2ed0318419dee4171cdca3a05f2bf1 100644
--- a/doc/src/compute_group_group.txt
+++ b/doc/src/compute_group_group.txt
@@ -137,11 +137,12 @@ Not all pair styles can be evaluated in a pairwise mode as required by
 this compute.  For example, 3-body and other many-body potentials,
 such as "Tersoff"_pair_tersoff.html and
 "Stillinger-Weber"_pair_sw.html cannot be used.  "EAM"_pair_eam.html
-potentials only include the pair potential portion of the EAM
-interaction when used by this compute, not the embedding term.
+potentials will re-use previously computed embedding term contributions,
+so the computed pairwise forces and energies are based on the whole
+system and not valid if particles have been moved since.
 
-Not all Kspace styles support calculation of group/group interactions.
-The {ewald} and {pppm} styles do.
+Not all "Kspace styles"_kspace_style.html support the calculation of
+group/group interactions. The regular {ewald} and {pppm} styles do.
 
 [Related commands:] none
 
diff --git a/doc/src/compute_sna_atom.txt b/doc/src/compute_sna_atom.txt
index efbf2e9ea393055fd850856de464234b1f2476e1..518d28aec9519d274b2254e6e907ffb652af95d4 100644
--- a/doc/src/compute_sna_atom.txt
+++ b/doc/src/compute_sna_atom.txt
@@ -24,12 +24,7 @@ twojmax = band limit for bispectrum components (non-negative integer) :l
 R_1, R_2,... = list of cutoff radii, one for each type (distance units) :l
 w_1, w_2,... = list of neighbor weights, one for each type  :l
 zero or more keyword/value pairs may be appended :l
-keyword = {diagonal} or {rmin0} or {switchflag} or {bzeroflag} or {quadraticflag} :l
-  {diagonal} value = {0} or {1} or {2} or {3}
-     {0} = all j1, j2, j <= twojmax, j2 <= j1
-     {1} = subset satisfying j1 == j2
-     {2} = subset satisfying j1 == j2 == j3
-     {3} = subset satisfying j2 <= j1 <= j
+keyword = {rmin0} or {switchflag} or {bzeroflag} or {quadraticflag} :l
   {rmin0} value = parameter in distance to angle conversion (distance units)
   {switchflag} value = {0} or {1}
      {0} = do not use switching function
@@ -44,7 +39,7 @@ keyword = {diagonal} or {rmin0} or {switchflag} or {bzeroflag} or {quadraticflag
 
 [Examples:]
 
-compute b all sna/atom 1.4 0.99363 6 2.0 2.4 0.75 1.0 diagonal 3 rmin0 0.0
+compute b all sna/atom 1.4 0.99363 6 2.0 2.4 0.75 1.0 rmin0 0.0
 compute db all sna/atom 1.4 0.95 6 2.0 1.0
 compute vb all sna/atom 1.4 0.95 6 2.0 1.0 :pre
 
@@ -151,7 +146,7 @@ The argument {rfac0} and the optional keyword {rmin0} define the
 linear mapping from radial distance to polar angle {theta0} on the
 3-sphere.
 
-The argument {twojmax} and the keyword {diagonal} define which
+The argument {twojmax} defines which
 bispectrum components are generated. See section below on output for a
 detailed explanation of the number of bispectrum components and the
 ordered in which they are listed.
@@ -192,23 +187,18 @@ command that includes all pairs in the neighbor list.
 Compute {sna/atom} calculates a per-atom array, each column
 corresponding to a particular bispectrum component.  The total number
 of columns and the identity of the bispectrum component contained in
-each column depend on the values of {twojmax} and {diagonal}, as
+each column depend of the value of {twojmax}, as
 described by the following piece of python code:
 
 for j1 in range(0,twojmax+1):
-    if(diagonal==2):
-        print j1/2.,j1/2.,j1/2.
-    elif(diagonal==1):
-        for j in range(0,min(twojmax,2*j1)+1,2):
-            print j1/2.,j1/2.,j/2.
-    elif(diagonal==0):
-        for j2 in range(0,j1+1):
-            for j in range(j1-j2,min(twojmax,j1+j2)+1,2):
-                print j1/2.,j2/2.,j/2.
-    elif(diagonal==3):
-        for j2 in range(0,j1+1):
-            for j in range(j1-j2,min(twojmax,j1+j2)+1,2):
-                if (j>=j1): print j1/2.,j2/2.,j/2. :pre
+    for j2 in range(0,j1+1):
+        for j in range(j1-j2,min(twojmax,j1+j2)+1,2):
+            if (j>=j1): print j1/2.,j2/2.,j/2. :pre
+
+NOTE: the {diagonal} keyword allowing other possible choices
+for the number of bispectrum components was removed in 2019, 
+since all potentials use the value of 3, corresponding to the
+above set of bispectrum components.
 
 Compute {snad/atom} evaluates a per-atom array. The columns are
 arranged into {ntypes} blocks, listed in order of atom type {I}.  Each
@@ -259,7 +249,7 @@ package"_Build_package.html doc page for more info.
 
 [Default:]
 
-The optional keyword defaults are {diagonal} = 0, {rmin0} = 0,
+The optional keyword defaults are {rmin0} = 0,
 {switchflag} = 1, {bzeroflag} = 1, {quadraticflag} = 0,
 
 :line
diff --git a/doc/src/compute_tally.txt b/doc/src/compute_tally.txt
index 6401be54e99b6fc2462c1b88842b91e41b5579e1..125eba1302a9ecedbaea9721b10edd4ca90767e5 100644
--- a/doc/src/compute_tally.txt
+++ b/doc/src/compute_tally.txt
@@ -88,6 +88,8 @@ potentials only include the pair potential portion of the EAM
 interaction when used by this compute, not the embedding term.  Also
 bonded or Kspace interactions do not contribute to this compute.
 
+The computes in this package are not compatible with dynamic groups.
+
 [Related commands:]
 
 {compute group/group}_compute_group_group.html, {compute
diff --git a/doc/src/compute_voronoi_atom.txt b/doc/src/compute_voronoi_atom.txt
index d01f4df71217920649b688cb20562dab8396ac82..4d7bd568381430e29133a3c2412748c41f27b62e 100644
--- a/doc/src/compute_voronoi_atom.txt
+++ b/doc/src/compute_voronoi_atom.txt
@@ -96,7 +96,7 @@ group. The argument {maxedge} of the this keyword is the largest number
 of edges on a single Voronoi cell face expected to occur in the
 sample. This keyword adds the generation of a global vector with
 {maxedge}+1 entries. The last entry in the vector contains the number of
-faces with with more than {maxedge} edges. Since the polygon with the
+faces with more than {maxedge} edges. Since the polygon with the
 smallest amount of edges is a triangle, entries 1 and 2 of the vector
 will always be zero.
 
diff --git a/doc/src/dihedral_spherical.txt b/doc/src/dihedral_spherical.txt
index 61949174df8d052740a1f0676a8c68e8b00606dd..62ba6cf9e56ab6b923f8907c80182de93391e109 100644
--- a/doc/src/dihedral_spherical.txt
+++ b/doc/src/dihedral_spherical.txt
@@ -47,7 +47,7 @@ division by sin(74.4)*sin(48.1) (the minima positions for theta1 and theta2).
 
 The following coefficients must be defined for each dihedral type via the
 "dihedral_coeff"_dihedral_coeff.html command as in the example above, or in
-the Dihedral Coeffs section of a data file file read by the
+the Dihedral Coeffs section of a data file read by the
 "read_data"_read_data.html command:
 
 n (integer >= 1)
diff --git a/doc/src/dihedral_table_cut.txt b/doc/src/dihedral_table_cut.txt
index 6f3f6edbcc5130c5641205d5b1f221563b58ac8f..b72f34e36e33e19d065482e5fc9755d54f32a858 100644
--- a/doc/src/dihedral_table_cut.txt
+++ b/doc/src/dihedral_table_cut.txt
@@ -174,7 +174,7 @@ radians instead of degrees.  (Note: This changes the way the forces
 are scaled in the 4th column of the data file.)
 
 The optional "CHECKU" keyword is followed by a filename.  This allows
-the user to save all of the the {Ntable} different entries in the
+the user to save all of the {Ntable} different entries in the
 interpolated energy table to a file to make sure that the interpolated
 function agrees with the user's expectations.  (Note: You can
 temporarily increase the {Ntable} parameter to a high value for this
diff --git a/doc/src/dump.txt b/doc/src/dump.txt
index 9999f5bbffaac7487762a6c9e7853f6da079754b..ff1b2dc3a64b9b9f9915c1f5f0b991f83e8536aa 100644
--- a/doc/src/dump.txt
+++ b/doc/src/dump.txt
@@ -13,6 +13,7 @@ dump command :h3
 "dump netcdf"_dump_netcdf.html command :h3
 "dump image"_dump_image.html command :h3
 "dump movie"_dump_image.html command :h3
+"dump adios"_dump_adios.html command :h3
 
 [Syntax:]
 
@@ -20,17 +21,19 @@ dump ID group-ID style N file args :pre
 
 ID = user-assigned name for the dump :ulb,l
 group-ID = ID of the group of atoms to be dumped :l
-style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or {cfg/mpiio} or {custom} or {custom/gz} or {custom/mpiio} or {dcd} or {h5md} or {image} or or {local} or {molfile} or {movie} or {netcdf} or {netcdf/mpiio} or {vtk} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} :l
+style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or {cfg/mpiio} or {custom} or {custom/gz} or {custom/mpiio} or {dcd} or {h5md} or {image} or {local} or {molfile} or {movie} or {netcdf} or {netcdf/mpiio} or {vtk} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} :l
 N = dump every this many timesteps :l
 file = name of file to write dump info to :l
 args = list of arguments for a particular style :l
   {atom} args = none
   {atom/gz} args = none
   {atom/mpiio} args = none
+  {atom/adios} args = none,  discussed on "dump adios"_dump_adios.html doc page
   {cfg} args = same as {custom} args, see below
   {cfg/gz} args = same as {custom} args, see below
   {cfg/mpiio} args = same as {custom} args, see below
   {custom}, {custom/gz}, {custom/mpiio} args = see below
+  {custom/adios} args = same as {custom} args, discussed on "dump adios"_dump_adios.html doc page
   {dcd} args = none
   {h5md} args = discussed on "dump h5md"_dump_h5md.html doc page
   {image} args = discussed on "dump image"_dump_image.html doc page
@@ -193,7 +196,7 @@ For post-processing purposes the {atom}, {local}, and {custom} text
 files are self-describing in the following sense.
 
 The dimensions of the simulation box are included in each snapshot.
-For an orthogonal simulation box this information is is formatted as:
+For an orthogonal simulation box this information is formatted as:
 
 ITEM: BOX BOUNDS xx yy zz
 xlo xhi
@@ -616,7 +619,7 @@ should be replaced by the actual name of the variable that has been
 defined previously in the input script.  Only an atom-style variable
 can be referenced, since it is the only style that generates per-atom
 values.  Variables of style {atom} can reference individual atom
-attributes, per-atom atom attributes, thermodynamic keywords, or
+attributes, per-atom attributes, thermodynamic keywords, or
 invoke other computes, fixes, or variables when they are evaluated, so
 this is a very general means of creating quantities to output to a
 dump file.
@@ -653,7 +656,7 @@ package"_Build_package.html doc page for more info.
 
 [Related commands:]
 
-"dump h5md"_dump_h5md.html, "dump image"_dump_image.html,
+"dump adios"_dump_adios.html "dump h5md"_dump_h5md.html, "dump image"_dump_image.html,
 "dump molfile"_dump_molfile.html, "dump_modify"_dump_modify.html,
 "undump"_undump.html
 
diff --git a/doc/src/dump_adios.txt b/doc/src/dump_adios.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e3c919db5a16abd563ed34a0d9cbd7c98a4aff1c
--- /dev/null
+++ b/doc/src/dump_adios.txt
@@ -0,0 +1,73 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+dump atoms/adios  command :h3
+dump custom/adios command :h3
+
+[Syntax:]
+
+dump ID group-ID atoms/adios N file.bp :pre
+dump ID group-ID custom/adios N file.bp args :pre
+
+ID = user-assigned name for the dump :ulb,l
+group-ID = ID of the group of atoms to be imaged :l
+adios = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
+N = dump every this many timesteps :l
+file.bp = name of file/stream to write to :l
+args = same options as in "{dump custom}"_dump.html command :l
+:ule
+
+
+[Examples:]
+
+dump adios1 all atom/adios   100 atoms.bp
+dump 4a     all custom/adios 100 dump_adios.bp id v_p x y z
+dump 2 subgroup custom/adios 100 dump_adios.bp mass type xs ys zs vx vy vz :pre
+
+[Description:]
+
+Dump a snapshot of atom coordinates every N timesteps in the
+"ADIOS"_adios based "BP" file format, or using different I/O solutions in ADIOS,
+to a stream that can be read on-line by another program.
+ADIOS-BP files are binary, portable and self-describing.
+
+:link(adios,https://github.com/ornladios/ADIOS2)
+
+
+[Use from write_dump:]
+
+It is possible to use these dump styles with the
+"write_dump"_write_dump.html command.  In this case, the sub-intervals
+must not be set at all.  The write_dump command can be used to
+create a new file at each individual dump.
+
+dump 4     all atom/adios 100 dump.bp
+write_dump all atom/adios singledump.bp :pre
+
+:line
+
+[Restrictions:]
+
+The number of atoms per snapshot CAN change with the adios style.
+When using the ADIOS tool 'bpls' to list the content of a .bp file,
+bpls will print {__} for the size of the output table indicating that
+its size is changing every step.
+
+The {atom/adios} and {custom/adios} dump styles are part of the USER-ADIOS
+package.  They are only enabled if LAMMPS was built with that package.
+See the "Build package"_Build_package.html doc page for more info.
+
+
+:line
+
+[Related commands:]
+
+"dump"_dump.html, "dump_modify"_dump_modify.html, "undump"_undump.html
+
+:line
+
diff --git a/doc/src/dump_modify.txt b/doc/src/dump_modify.txt
index 9a3595605521c2deb4c636de68767bccb3cc2c88..6be0d26463f86062ca079f7c1349bd7842d10418 100644
--- a/doc/src/dump_modify.txt
+++ b/doc/src/dump_modify.txt
@@ -310,7 +310,7 @@ NOTE: Atom and molecule IDs are stored internally as 4-byte or 8-byte
 signed integers, depending on how LAMMPS was compiled.  When
 specifying the {format int} option you can use a "%d"-style format
 identifier in the format string and LAMMPS will convert this to the
-corresponding 8-byte form it it is needed when outputting those
+corresponding 8-byte form if it is needed when outputting those
 values.  However, when specifying the {line} option or {format M
 string} option for those values, you should specify a format string
 appropriate for an 8-byte signed integer, e.g. one with "%ld", if
diff --git a/doc/src/dynamical_matrix.txt b/doc/src/dynamical_matrix.txt
new file mode 100644
index 0000000000000000000000000000000000000000..a7dc4e442ea698865d90c19869b36dc482221220
--- /dev/null
+++ b/doc/src/dynamical_matrix.txt
@@ -0,0 +1,52 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+dynamical_matrix command :h3
+
+[Syntax:]
+
+dynamical_matrix group-ID style gamma args keyword value ... :pre
+
+group-ID = ID of group of atoms to displace :ulb,l
+style = {regular} or {eskm} :l
+gamma = finite different displacement length (distance units) :l
+one or more keyword/arg pairs may be appended :l
+  keyword = {file} or {binary}
+    {file} name = name of output file for the dynamical matrix
+    {binary} arg = {yes} or {no} or {gzip} :pre
+:ule
+
+[Examples:]
+
+dynamical_matrix 1 regular 0.000001
+dynamical_matrix 1 eskm 0.000001
+dynamical_matrix 3 regular 0.00004 file dynmat.dat
+dynamical_matrix 5 eskm 0.00000001 file dynamical.dat binary yes :pre
+
+[Description:]
+
+Calculate the dynamical matrix of the selected group.
+
+[Restrictions:]
+
+The command collects the entire dynamical matrix a single MPI rank,
+so the memory requirements can be very significant for large systems.
+
+This command assumes a periodic system.
+
+This command is part of the USER-PHONON package.  It is only enabled if
+LAMMPS was built with that package.  See the "Build
+package"_Build_package.html doc page for more info.
+
+[Related commands:]
+
+"fix phonon"_fix_phonon.html
+
+[Default:]
+
+The default settings are file = "dynmat.dyn", binary = no  
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 395f2ad7a964c899b53726b044c5800e96ddc885..294802c4fabed63ed9a8572a20ce194edfff22b9 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -83,8 +83,10 @@ not in the specified fix group.  Local quantities are calculated by
 each processor based on the atoms it owns, but there may be zero or
 more per atoms.
 
-Note that a single fix may produces either global or per-atom or local
-quantities (or none at all), but never more than one of these.
+Note that a single fix can produce either global or per-atom or local
+quantities (or none at all), but not both global and per-atom.  It can
+produce local quantities in tandem with global or per-atom quantities.
+The fix doc page will explain.
 
 Global, per-atom, and local quantities each come in three kinds: a
 single scalar value, a vector of values, or a 2d array of values.  The
@@ -199,6 +201,7 @@ accelerated styles exist.
 "edpd/source"_fix_dpd_source.html -
 "efield"_fix_efield.html - impose electric field on system
 "ehex"_fix_ehex.html - enhanced heat exchange algorithm
+"electron/stopping"_fix_electron_stopping.html - electronic stopping power as a friction force
 "enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force
 "eos/cv"_fix_eos_cv.html -
 "eos/table"_fix_eos_table.html -
@@ -318,20 +321,16 @@ accelerated styles exist.
 "restrain"_fix_restrain.html - constrain a bond, angle, dihedral
 "rhok"_fix_rhok.html -
 "rigid"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVE integration
+"rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
 "rigid/nph"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPH integration
-"rigid/nph/small"_fix_rigid.html -
+"rigid/nph/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPH integration
 "rigid/npt"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPT integration
-"rigid/npt/small"_fix_rigid.html -
+"rigid/npt/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPT integration
 "rigid/nve"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with alternate NVE integration
-"rigid/nve/small"_fix_rigid.html -
+"rigid/nve/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with alternate NVE integration
 "rigid/nvt"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVT integration
-"rigid/nvt/small"_fix_rigid.html -
+"rigid/nvt/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
 "rigid/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVE integration
-"rigid/small/nph"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPH integration
-"rigid/small/npt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPT integration
-"rigid/small/nve"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with alternate NVE integration
-"rigid/small/nvt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
-"rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
 "rx"_fix_rx.html -
 "saed/vtk"_fix_saed_vtk.html -
 "setforce"_fix_setforce.html - set the force on each atom
diff --git a/doc/src/fix_adapt.txt b/doc/src/fix_adapt.txt
index fe86f49b258d15a257d88c55eef38684d3c5331d..0d862a890d0d9f591e1a5152386eaf4df7c193dc 100644
--- a/doc/src/fix_adapt.txt
+++ b/doc/src/fix_adapt.txt
@@ -158,12 +158,6 @@ the pair_*.cpp file associated with the potential.
 
 Some parameters are global settings for the pair style, e.g. the
 viscosity setting "mu" for "pair_style lubricate"_pair_lubricate.html.
-For "pair_kim"_pair_kim.html, all free parameters supported by the
-KIM Model are available (e.g., PARAM_FREE_sigmas provided by the
-LennardJones612_Universal__MO_826355984548_001 Model).  If the free
-parameter corresponds to an array, then the particular array element
-to be adapted must be specified (e.g., "PARAM_FREE_sigmas:10", to
-adapt the tenth entry of the sigmas array).
 Other parameters apply to atom type pairs within the pair style,
 e.g. the prefactor "a" for "pair_style soft"_pair_soft.html.
 
diff --git a/doc/src/fix_atom_swap.txt b/doc/src/fix_atom_swap.txt
index 22091eca005540b5316aee0bccd2c3d4e77aa2ba..cb6bc26aa19dbde386e6a5877f116bd7848644fe 100644
--- a/doc/src/fix_atom_swap.txt
+++ b/doc/src/fix_atom_swap.txt
@@ -141,11 +141,16 @@ specify if this should be done.
 
 This fix writes the state of the fix to "binary restart
 files"_restart.html.  This includes information about the random
-number generator seed, the next timestep for MC exchanges, etc.  See
+number generator seed, the next timestep for MC exchanges, the number
+of exchange attempts and successes etc.  See
 the "read_restart"_read_restart.html command for info on how to
 re-specify a fix in an input script that reads a restart file, so that
 the operation of the fix continues in an uninterrupted fashion.
 
+NOTE: For this to work correctly, the timestep must [not] be changed
+after reading the restart with "reset_timestep"_reset_timestep.html.
+The fix will try to detect it and stop with an error.
+
 None of the "fix_modify"_fix_modify.html options are relevant to this
 fix.
 
diff --git a/doc/src/fix_ave_chunk.txt b/doc/src/fix_ave_chunk.txt
index 4e036367e210707b986af54d1cbcc225e062093f..a8bdef0425aaa927687b74dde3c39f3b3dea10f2 100644
--- a/doc/src/fix_ave_chunk.txt
+++ b/doc/src/fix_ave_chunk.txt
@@ -361,7 +361,7 @@ computes that calculate a temperature to see which ones implement a
 bias.
 
 The {adof} and {cdof} keywords define the values used in the degree of
-freedom (DOF) formula described above for for temperature calculation
+freedom (DOF) formula described above for temperature calculation
 for each chunk.  They are only used when the {temp} value is
 calculated.  They can be used to calculate a more appropriate
 temperature for some kinds of chunks.  Here are 3 examples:
diff --git a/doc/src/fix_ave_histo.txt b/doc/src/fix_ave_histo.txt
index 79f4d53481ecfaf062bff7c51810aba99a1941a4..0a17813d215c81e819fd53efb44cfd328a2fd352 100644
--- a/doc/src/fix_ave_histo.txt
+++ b/doc/src/fix_ave_histo.txt
@@ -35,6 +35,7 @@ keyword = {mode} or {file} or {ave} or {start} or {beyond} or {overwrite} or {ti
   {mode} arg = {scalar} or {vector}
     scalar = all input values are scalars
     vector = all input values are vectors
+  {kind} arg = {global} or {peratom} or {local}
   {file} arg = filename
     filename = name of file to output histogram(s) to
   {ave} args = {one} or {running} or {window}
@@ -92,7 +93,8 @@ either all global, all per-atom, or all local quantities.  Inputs of
 different kinds (e.g. global and per-atom) cannot be mixed.  Atom
 attributes are per-atom vector values.  See the doc page for
 individual "compute" and "fix" commands to see what kinds of
-quantities they generate.
+quantities they generate.  See the optional {kind} keyword below for
+how to force the fix ave/histo command to disambiguate if necessary.
 
 Note that the output of this command is a single histogram for all
 input values combined together, not one histogram per input value.
@@ -231,6 +233,14 @@ keyword is set to {vector}, then all input values must be global or
 per-atom or local vectors, or columns of global or per-atom or local
 arrays.
 
+The {kind} keyword only needs to be set if a compute or fix produces
+more than one kind of output (global, per-atom, local).  If this is
+not the case, then LAMMPS will determine what kind of input is
+provided and whether all the input arguments are consistent.  If a
+compute or fix produces more than one kind of output, the {kind}
+keyword should be used to specify which output will be used.  The
+remaining input arguments must still be consistent.
+
 The {beyond} keyword determines how input values that fall outside the
 {lo} to {hi} bounds are treated.  Values such that {lo} <= value <=
 {hi} are assigned to one bin.  Values on a bin boundary are assigned
@@ -240,7 +250,7 @@ If {beyond} is set to {end} then values < {lo} are counted in the
 first bin and values > {hi} are counted in the last bin.  If {beyond}
 is set to {extend} then two extra bins are created, so that there are
 Nbins+2 total bins.  Values < {lo} are counted in the first bin and
-values > {hi} are counted in the last bin (Nbins+1).  Values between
+values > {hi} are counted in the last bin (Nbins+2).  Values between
 {lo} and {hi} (inclusive) are counted in bins 2 through Nbins+1.  The
 "coordinate" stored and printed for these two extra bins is {lo} and
 {hi}.
@@ -354,5 +364,6 @@ ave/chunk"_fix_ave_chunk.html, "fix ave/time"_fix_ave_time.html,
 
 [Default:] none
 
-The option defaults are mode = scalar, ave = one, start = 0, no file
-output, beyond = ignore, and title 1,2,3 = strings as described above.
+The option defaults are mode = scalar, kind = figured out from input
+arguments, ave = one, start = 0, no file output, beyond = ignore, and
+title 1,2,3 = strings as described above.
diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index 5da0f33e3abc9624e8603050127a96c47467cf67..34f0e6daf7ff06daf52d87d5bcd591f8511162ed 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -18,8 +18,8 @@ fix ID group-ID bond/react common_keyword values ...
 
 ID, group-ID are documented in "fix"_fix.html command. Group-ID is ignored. :ulb,l
 bond/react = style name of this fix command :l
-zero or more common keyword/value pairs may be appended directly after 'bond/react' :l
-these apply to all reaction specifications (below) :l
+the common keyword/values may be appended directly after 'bond/react' :l
+this applies to all reaction specifications (below) :l
 common_keyword = {stabilization} :l
   {stabilization} values = {no} or {yes} {group-ID} {xmax}
     {no} = no reaction site stabilization
@@ -136,10 +136,12 @@ words, can be customized for each reaction, or reaction step):
 A check for possible new reaction sites is performed every {Nevery}
 timesteps.
 
-Two conditions must be met for a reaction to occur. First a bonding
-atom pair must be identified. Second, the topology surrounding the
-bonding atom pair must match the topology of the pre-reaction
-template. If both these conditions are met, the reaction site is
+Three physical conditions must be met for a reaction to occur. First,
+a bonding atom pair must be identified within the reaction distance
+cutoffs. Second, the topology surrounding the bonding atom pair must
+match the topology of the pre-reaction template. Finally, any reaction
+constraints listed in the map file (see below) must be satisfied. If
+all of these conditions are met, the reaction site is eligible to be
 modified to match the post-reaction template.
 
 A bonding atom pair will be identified if several conditions are met.
@@ -203,14 +205,24 @@ new types must also be defined during the setup of a given simulation.
 A discussion of correctly handling this is also provided on the
 "molecule"_molecule.html command page.
 
+NOTE: When a reaction occurs, it is possible that the resulting
+topology/atom (e.g. special bonds, dihedrals, etc.) exceeds that of
+the existing system and reaction templates. As when inserting
+molecules, enough space for this increased topology/atom must be
+reserved by using the relevant "extra" keywords to the
+"read_data"_read_data.html or "create_box"_create_box.html commands.
+
 The map file is a text document with the following format:
 
 A map file has a header and a body. The header of map file the
-contains one mandatory keyword and three optional keywords. The
-mandatory keyword is 'equivalences' and the optional keywords are
-'edgeIDs' and 'deleteIDs' and 'customIDs':
+contains one mandatory keyword and four optional keywords. The
+mandatory keyword is 'equivalences':
+
+N {equivalences} = # of atoms N in the reaction molecule templates :pre
+
+The optional keywords are 'edgeIDs', 'deleteIDs', 'customIDs' and
+'constraints':
 
-N {equivalences} = # of atoms N in the reaction molecule templates
 N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
 N {deleteIDs} = # of atoms N that are specified for deletion
 N {customIDs} = # of atoms N that are specified for a custom update
@@ -244,8 +256,8 @@ A sample map file is given below:
 
 # this is a map file :pre
 
-2 edgeIDs
-7 equivalences :pre
+7 equivalences
+2 edgeIDs :pre
 
 BondingIDs :pre
 
@@ -297,26 +309,25 @@ can allow for the possibility of one or more reverse reactions.
 
 The optional keywords deal with the probability of a given reaction
 occurring as well as the stable equilibration of each reaction site as
-it occurs.
+it occurs:
 
-The {prob} keyword can affect whether an eligible reaction actually
-occurs. The fraction setting must be a value between 0.0 and 1.0. A
-uniform random number between 0.0 and 1.0 is generated and the
+The {prob} keyword can affect whether or not an eligible reaction
+actually occurs. The fraction setting must be a value between 0.0 and
+1.0. A uniform random number between 0.0 and 1.0 is generated and the
 eligible reaction only occurs if the random number is less than the
 fraction. Up to N reactions are permitted to occur, as optionally
 specified by the {max_rxn} keyword.
 
 The {stabilize_steps} keyword allows for the specification of how many
 timesteps a reaction site is stabilized before being returned to the
-overall system thermostat.
-
-In order to produce the most physical behavior, this 'reaction site
-equilibration time' should be tuned to be as small as possible while
-retaining stability for a given system or reaction step. After a
-limited number of case studies, this number has been set to a default
-of 60 timesteps. Ideally, it should be individually tuned for each fix
-reaction step. Note that in some situations, decreasing rather than
-increasing this parameter will result in an increase in stability.
+overall system thermostat. In order to produce the most physical
+behavior, this 'reaction site equilibration time' should be tuned to
+be as small as possible while retaining stability for a given system
+or reaction step. After a limited number of case studies, this number
+has been set to a default of 60 timesteps. Ideally, it should be
+individually tuned for each fix reaction step. Note that in some
+situations, decreasing rather than increasing this parameter will
+result in an increase in stability.
 
 The {update_edges} keyword can increase the number of atoms whose
 atomic charges are updated, when the pre-reaction template contains
@@ -324,11 +335,11 @@ edge atoms. When the value is set to 'charges,' all atoms' atomic
 charges are updated to those specified by the post-reaction template,
 including atoms near the edge of reaction templates. When the value is
 set to 'custom,' an additional section must be included in the map
-file that specifies whether to update charges, on a per-atom basis.
-The format of this section is detailed above. Listing a pre-reaction
-atom ID with a value of 'charges' will force the update of the atom's
-charge, even if it is near a template edge. Atoms not near a template
-edge are unaffected by this setting.
+file that specifies whether or not to update charges, on a per-atom
+basis. The format of this section is detailed above. Listing a
+pre-reaction atom ID with a value of 'charges' will force the update
+of the atom's charge, even if it is near a template edge. Atoms not
+near a template edge are unaffected by this setting.
 
 A few other considerations:
 
@@ -385,6 +396,10 @@ No parameter of this fix can be used with the {start/stop} keywords of
 the "run"_run.html command.  This fix is not invoked during "energy
 minimization"_minimize.html.
 
+When fix bond/react is 'unfixed,' all internally-created groups are
+deleted. Therefore, fix bond/react can only be unfixed after unfixing
+all other fixes that use any group created by fix bond/react.
+
 [Restrictions:]
 
 This fix is part of the USER-MISC package.  It is only enabled if
diff --git a/doc/src/fix_colvars.txt b/doc/src/fix_colvars.txt
index d9eb9ac5aaedbcc4d543599c374cf81f7c41f70f..304273d45174775cc4f126a8bb6cf772c9da2c42 100644
--- a/doc/src/fix_colvars.txt
+++ b/doc/src/fix_colvars.txt
@@ -98,6 +98,16 @@ fix to add the energy change from the biasing force added by the fix
 to the system's potential energy as part of "thermodynamic
 output"_thermo_style.html.
 
+The {fix_modify configfile <config file>} option allows to add settings
+from an additional config file to the colvars module. This option can
+only be used, after the system has been initialized with a "run"_run.html
+command.
+
+The {fix_modify config <quoted string>} option allows to add settings
+from inline strings. Those have to fit on a single line when enclosed
+in a pair of double quotes ("), or can span multiple lines when bracketed
+by a pair of triple double quotes (""", like python embedded documentation).
+
 This fix computes a global scalar which can be accessed by various
 "output commands"_Howto_output.html.  The scalar is the cumulative
 energy change due to this fix.  The scalar value calculated by this
diff --git a/doc/src/fix_deposit.txt b/doc/src/fix_deposit.txt
index fd12d4bb45d1e5b747cec40ec06de6879769e81e..9ab125a55f827b4a5f231dfdc6270e52e34c36ad 100644
--- a/doc/src/fix_deposit.txt
+++ b/doc/src/fix_deposit.txt
@@ -261,6 +261,10 @@ next timestep for deposition, etc.  See the
 a fix in an input script that reads a restart file, so that the
 operation of the fix continues in an uninterrupted fashion.
 
+NOTE: For this to work correctly, the timestep must [not] be changed
+after reading the restart with "reset_timestep"_reset_timestep.html.
+The fix will try to detect it and stop with an error.
+
 None of the "fix_modify"_fix_modify.html options are relevant to this
 fix.  No global or per-atom quantities are stored by this fix for
 access by various "output commands"_Howto_output.html.  No parameter
diff --git a/doc/src/fix_electron_stopping.txt b/doc/src/fix_electron_stopping.txt
new file mode 100644
index 0000000000000000000000000000000000000000..096629c330a3c599ef2e91aaf4c9d2fd0b035264
--- /dev/null
+++ b/doc/src/fix_electron_stopping.txt
@@ -0,0 +1,165 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+fix electron/stopping command :h3
+
+[Syntax:]
+
+fix ID group-ID electron/stopping Ecut file keyword value ... :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+electron/stopping = style name of this fix command :l
+Ecut = minimum kinetic energy for electronic stopping (energy units) :l
+file = name of the file containing the electronic stopping power table :l
+zero or more keyword/value pairs may be appended to args :l
+keyword = {region} or {minneigh} :l
+  {region} value = region-ID
+    region-ID = region, whose atoms will be affected by this fix
+  {minneigh} value = minneigh
+    minneigh = minimum number of neighbors an atom to have stopping applied :pre
+:ule
+
+[Examples:]
+
+fix el all electron/stopping 10.0 elstop-table.txt
+fix el all electron/stopping 10.0 elstop-table.txt minneigh 3
+fix el mygroup electron/stopping 1.0 elstop-table.txt region bulk :pre
+
+[Description:]
+
+This fix implements inelastic energy loss for fast projectiles in solids. It
+applies a friction force to fast moving atoms to slow them down due to
+"electronic stopping"_#elstopping (energy lost via electronic collisions per
+unit of distance). This fix should be used for simulation of irradiation
+damage or ion implantation, where the ions can lose noticeable amounts of
+energy from electron excitations. If the electronic stopping power is not
+considered, the simulated range of the ions can be severely overestimated
+("Nordlund98"_#Nordlund98, "Nordlund95"_#Nordlund95).
+
+The electronic stopping is implemented by applying a friction force
+to each atom as:
+
+\begin\{equation\}
+\vec\{F\}_i = \vec\{F\}^0_i - \frac\{\vec\{v\}_i\}\{\|\vec\{v\}_i\|\} \cdot S_e
+\end\{equation\}
+
+where \(\vec\{F\}_i\) is the resulting total force on the atom.
+\(\vec\{F\}^0_i\) is the original force applied to the atom, \(\vec\{v\}_i\) is
+its velocity and \(S_e\) is the stopping power of the ion.
+
+NOTE: In addition to electronic stopping, atomic cascades and irradiation
+simulations require the use of an adaptive timestep (see
+"fix dt/reset"_fix_dt_reset.html) and the repulsive ZBL potential (see
+"ZBL"_pair_zbl.html potential) or similar. Without these settings the
+interaction between the ion and the target atoms will be faulty. It is also
+common to use in such simulations a thermostat ("fix_nvt"_fix_nh.html) in
+the borders of the simulation cell.
+
+NOTE: This fix removes energy from fast projectiles without depositing it as a
+heat to the simulation cell. Such implementation might lead to the unphysical
+results when the amount of energy deposited to the electronic system is large,
+e.g. simulations of Swift Heavy Ions (energy per nucleon of 100 keV/amu or
+higher) or multiple projectiles. You could compensate energy loss by coupling
+bulk atoms with some thermostat or control heat transfer between electronic and
+atomic subsystems with the two-temperature model ("fix_ttm"_fix_ttm.html).
+
+At low velocities the electronic stopping is negligible. The electronic
+friction is not applied to atoms whose kinetic energy is smaller than {Ecut},
+or smaller than the lowest energy value given in the table in {file}.
+Electronic stopping should be applied only when a projectile reaches bulk
+material. This fix scans neighbor list and excludes atoms with fewer than
+{minneigh} neighbors (by default one). If the pair potential cutoff is large,
+minneigh should be increased, though not above the number of nearest neighbors
+in bulk material. An alternative is to disable the check for neighbors by
+setting {minneigh} to zero and using the {region} keyword. This is necessary
+when running simulations of cluster bombardment.
+
+If the {region} keyword is used, the atom must also be in the specified
+geometric "region"_region.html in order to have electronic stopping applied to
+it. This is useful if the position of the bulk material is fixed. By default
+the electronic stopping is applied everywhere in the simulation cell.
+
+:line
+
+The energy ranges and stopping powers are read from the file {file}.
+Lines starting with {#} and empty lines are ignored. Otherwise each
+line must contain exactly [N+1] numbers, where [N] is the number of atom
+types in the simulation.
+
+The first column is the energy for which the stopping powers on that
+line apply. The energies must be sorted from the smallest to the largest.
+The other columns are the stopping powers \(S_e\) for each atom type,
+in ascending order, in force "units"_units.html. The stopping powers for
+intermediate energy values are calculated with linear interpolation between
+2 nearest points.
+
+For example:
+
+# This is a comment
+#       atom-1    atom-2
+# eV    eV/Ang    eV/Ang  # units metal
+ 10        0        0
+250       60       80
+750      100      150 :pre
+
+
+If an atom which would have electronic stopping applied to it has a
+kinetic energy higher than the largest energy given in {file}, LAMMPS
+will exit with an error message.
+
+The stopping power depends on the energy of the ion and the target
+material. The electronic stopping table can be obtained from
+scientific publications, experimental databases or by using
+"SRIM"_#SRIM software. Other programs such as "CasP"_#CasP or
+"PASS"_#PASS can calculate the energy deposited as a function
+of the impact parameter of the ion; these results can be used
+to derive the stopping power.
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about this fix is written to "binary restart
+files"_restart.html.
+
+The "fix_modify"_fix_modify.html options are not supported.
+
+This fix computes a global scalar, which can be accessed by various
+"output commands"_Howto_output.html. The scalar is the total energy
+loss from electronic stopping applied by this fix since the start of
+the latest run. It is considered "intensive".
+
+The {start/stop} keywords of the "run"_run.html command have no effect
+on this fix.
+
+[Restrictions:]
+
+This pair style is part of the USER-MISC package. It is only enabled if
+LAMMPS was built with that package. See the "Build package"_Build_package.html
+doc page for more info.
+
+[Default:]
+
+The default is no limitation by region, and minneigh = 1.
+
+:line
+:link(elstopping)
+[(electronic stopping)] Wikipedia - Electronic Stopping Power: https://en.wikipedia.org/wiki/Stopping_power_%28particle_radiation%29
+
+:link(Nordlund98)
+[(Nordlund98)] Nordlund, Kai, et al.  Physical Review B 57.13 (1998): 7556.
+
+:link(Nordlund95)
+[(Nordlund95)] Nordlund, Kai. Computational materials science 3.4 (1995): 448-456.
+
+:link(SRIM)
+[(SRIM)] SRIM webpage: http://www.srim.org/
+
+:link(CasP)
+[(CasP)] CasP webpage: https://www.helmholtz-berlin.de/people/gregor-schiwietz/casp_en.html
+
+:link(PASS)
+[(PASS)] PASS webpage: https://www.sdu.dk/en/DPASS
diff --git a/doc/src/fix_gcmc.txt b/doc/src/fix_gcmc.txt
index 8a66a007a366cf48be6d35390b7cfab8c31e69a1..3c0f2c2f17c03a9eb6ff80c694ef35bf40bec954 100644
--- a/doc/src/fix_gcmc.txt
+++ b/doc/src/fix_gcmc.txt
@@ -373,11 +373,16 @@ adds all inserted atoms of the specified type to the
 
 This fix writes the state of the fix to "binary restart
 files"_restart.html.  This includes information about the random
-number generator seed, the next timestep for MC exchanges, etc.  See
+number generator seed, the next timestep for MC exchanges,  the number
+of MC step attempts and successes etc.  See
 the "read_restart"_read_restart.html command for info on how to
 re-specify a fix in an input script that reads a restart file, so that
 the operation of the fix continues in an uninterrupted fashion.
 
+NOTE: For this to work correctly, the timestep must [not] be changed
+after reading the restart with "reset_timestep"_reset_timestep.html.
+The fix will try to detect it and stop with an error.
+
 None of the "fix_modify"_fix_modify.html options are relevant to this
 fix.
 
diff --git a/doc/src/fix_halt.txt b/doc/src/fix_halt.txt
index 87ad97accf7b76ddaa3387732039cae7353f1b09..8e85dc7ea5eba98efe044b95f4f474d4de574cb3 100644
--- a/doc/src/fix_halt.txt
+++ b/doc/src/fix_halt.txt
@@ -113,12 +113,11 @@ state of the system, e.g. via a "write_dump"_write_dump.html or
 "write_restart"_write_restart.html command.
 
 If its value is {continue}, the behavior is the same as for {soft},
-except subsequent subsequent "run"_run.html or
-"minimize"_minimize.html commands are executed.  This allows your
-script to remedy the condition that triggered the halt, if necessary.
-Note that you may wish use the "unfix"_unfix.html command on the fix
-halt ID, so that the same condition is not immediately triggered in a
-subsequent run.
+except subsequent "run"_run.html or "minimize"_minimize.html commands
+are executed.  This allows your script to remedy the condition that
+triggered the halt, if necessary.  Note that you may wish use the
+"unfix"_unfix.html command on the fix halt ID, so that the same
+condition is not immediately triggered in a subsequent run.
 
 The optional {message} keyword determines whether a message is printed
 to the screen and logfile when the halt condition is triggered.  If
diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index a7a938b1447891c83effc65610e1ffca2fe7b005..bfe8203b500e6b1ad36546aa8d96c47d9e004cc9 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -102,7 +102,7 @@ Bi = exp(beta * Vij(max)) :pre
 where beta = 1/kTequil, and {Tequil} is the temperature of the system
 and an argument to this fix.  Note that Bi >= 1 at every step.
 
-NOTE: To run GHD, the input script must also use the "fix
+NOTE: To run a GHD simulation, the input script must also use the "fix
 langevin"_fix_langevin.html command to thermostat the atoms at the
 same {Tequil} as specified by this fix, so that the system is running
 constant-temperature (NVT) dynamics.  LAMMPS does not check that this
@@ -166,9 +166,9 @@ correctly.  There will just be fewer events because the hyper time
 
 NOTE: If you have no physical intuition as to the smallest barrier
 height in your system, a reasonable strategy to determine the largest
-{Vmax} you can use for an LHD model, is to run a sequence of
+{Vmax} you can use for a GHD model, is to run a sequence of
 simulations with smaller and smaller {Vmax} values, until the event
-rate does not change.
+rate does not change (as a function of hyper time).
 
 The {Tequil} argument is the temperature at which the system is
 simulated; see the comment above about the "fix
@@ -177,7 +177,8 @@ beta term in the exponential factor that determines how much boost is
 achieved as a function of the bias potential.
 
 In general, the lower the value of {Tequil} and the higher the value
-of {Vmax}, the more boost will be achievable by the GHD algorithm.
+of {Vmax}, the more time boost will be achievable by the GHD
+algorithm.
 
 :line
 
@@ -187,44 +188,46 @@ No information about this fix is written to "binary restart
 files"_restart.html.
 
 The "fix_modify"_fix_modify.html {energy} option is supported by this
-fix to add the energy of the bias potential to the the system's
+fix to add the energy of the bias potential to the system's
 potential energy as part of "thermodynamic output"_thermo_style.html.
 
-This fix computes a global scalar and global vector of length 11, which
+This fix computes a global scalar and global vector of length 12, which
 can be accessed by various "output commands"_Howto_output.html.  The
 scalar is the magnitude of the bias potential (energy units) applied on
 the current timestep.  The vector stores the following quantities:
 
 1 = boost factor on this step (unitless)
-2 = max strain Eij of any bond on this step (unitless)
+2 = max strain Eij of any bond on this step (absolute value, unitless)
 3 = ID of first atom in the max-strain bond
 4 = ID of second atom in the max-strain bond
 5 = average # of bonds/atom on this step :ul
 
-6 = fraction of timesteps with bias = 0.0 during this run
-7 = max drift distance of any atom during this run (distance units)
-8 = max bond length during this run (distance units) :ul
+6 = fraction of timesteps where the biased bond has bias = 0.0 during this run
+7 = fraction of timesteps where the biased bond has negative strain during this run
+8 = max drift distance of any atom during this run (distance units)
+9 = max bond length during this run (distance units) :ul
 
-9 = cumulative hyper time since fix was defined (time units)
-10 = cumulative count of event timesteps since fix was defined
-11 = cumulative count of atoms in events since fix was defined :ul
+10 = cumulative hyper time since fix was defined (time units)
+11 = cumulative count of event timesteps since fix was defined
+12 = cumulative count of atoms in events since fix was defined :ul
 
-The first 5 quantities are for the current timestep.  Quantities 6-8
-are for the current hyper run.  Quantities 9-11 are cumulative across
-multiple runs (since the fix was defined in the input script).
+The first 5 quantities are for the current timestep.  Quantities 6-9
+are for the current hyper run.  They are reset each time a new hyper
+run is performed.  Quantities 19-12 are cumulative across multiple
+runs (since the point in the input script the fix was defined).
 
-For value 7, drift is the distance an atom moves between timesteps
-when the bond list is reset, i.e. between events.  Atoms involved in
-an event will typically move the greatest distance since others are
-typically oscillating around their lattice site.
+For value 8, drift is the distance an atom moves between two quenched
+states when the second quench determines an event has occurred.  Atoms
+involved in an event will typically move the greatest distance since
+others typically remain near their original quenched position.
 
-For value 10, events are checked for by the "hyper"_hyper.html command
+For value 11, events are checked for by the "hyper"_hyper.html command
 once every {Nevent} timesteps.  This value is the count of those
 timesteps on which one (or more) events was detected.  It is NOT the
 number of distinct events, since more than one event may occur in the
 same {Nevent} time window.
 
-For value 11, each time the "hyper"_hyper.html command checks for an
+For value 12, each time the "hyper"_hyper.html command checks for an
 event, it invokes a compute to flag zero or more atoms as
 participating in one or more events.  E.g. atoms that have displaced
 more than some distance from the previous quench state.  Value 11 is
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index c34b9ba7da35480b5e74e75a73dac1984c8043e1..d3bbb3849d94b171e539d07eb560a87bdf0c9fb8 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -22,10 +22,9 @@ Dcut = minimum distance between boosted bonds (distance units) :l
 alpha = boostostat relaxation time (time units) :l
 Btarget = desired time boost factor (unitless) :l
 zero or more keyword/value pairs may be appended :l
-keyword = {lost} or {check/bias} or {check/coeff}
-  {lostbond} value = error/warn/ignore
-  {check/bias} values = Nevery error/warn/ignore
-  {check/coeff} values = Nevery error/warn/ignore :pre
+keyword = {check/ghost} or {check/bias} :l
+  {check/ghost} values = none
+  {check/bias} values = Nevery error/warn/ignore :pre
 :ule
 
 [Examples:]
@@ -65,8 +64,8 @@ To understand this description, you should first read the description
 of the GHD algorithm on the "fix hyper/global"_fix_hyper_global.html
 doc page.  This description of LHD builds on the GHD description.
 
-The definition of bonds, Eij, and Emax are the same for GHD and LHD.
-The formulas for Vij(max) and Fij(max) are also the same except for a
+The definition of bonds and Eij are the same for GHD and LHD.  The
+formulas for Vij(max) and Fij(max) are also the same except for a
 pre-factor Cij, explained below.
 
 The bias energy Vij applied to a bond IJ with maximum strain is
@@ -117,11 +116,11 @@ where Vkl(max) is the bias energy of the maxstrain bond KL within bond
 IJ's neighborhood, beta = 1/kTequil, and {Tequil} is the temperature
 of the system and an argument to this fix.
 
-NOTE: To run LHD, the input script must also use the "fix
-langevin"_fix_langevin.html command to thermostat the atoms at the
-same {Tequil} as specified by this fix, so that the system is running
-constant-temperature (NVT) dynamics.  LAMMPS does not check that this
-is done.
+NOTE: To run an LHD simulation, the input script must also use the
+"fix langevin"_fix_langevin.html command to thermostat the atoms at
+the same {Tequil} as specified by this fix, so that the system is
+running constant-temperature (NVT) dynamics.  LAMMPS does not check
+that this is done.
 
 Note that if IJ = KL, then bond IJ is a biased bond on that timestep,
 otherwise it is not.  But regardless, the boost factor Bij can be
@@ -216,20 +215,20 @@ each pair.  E.g. something like 2x the cutoff of the interatomic
 potential.  In practice a {Dcut} value of ~10 Angstroms seems to work
 well for many solid-state systems.
 
-NOTE: You must also insure that ghost atom communication is performed
-for a distance of at least {Dcut} + {cutevent} where {cutevent} = the
-distance one or more atoms move (between quenched states) to be
-considered an "event".  It is an argument to the "compute
-event/displace" command used to detect events.  By default the ghost
-communication distance is set by the pair_style cutoff, which will
-typically be < {Dcut}.  The "comm_modify cutoff"_comm_modify.html
-command can be used to set the ghost cutoff explicitly, e.g.
+NOTE: You should insure that ghost atom communication is performed for
+a distance of at least {Dcut} + {cutevent} = the distance one or more
+atoms move (between quenched states) to be considered an "event".  It
+is an argument to the "compute event/displace" command used to detect
+events.  By default the ghost communication distance is set by the
+pair_style cutoff, which will typically be < {Dcut}.  The "comm_modify
+cutoff"_comm_modify.html command should be used to override the ghost
+cutoff explicitly, e.g.
 
 comm_modify cutoff 12.0 :pre
 
-This fix does not know the {cutevent} parameter, but uses half the
-bond length as an estimate to warn if the ghost cutoff is not long
-enough.
+Note that this fix does not know the {cutevent} parameter, but uses
+half the {cutbond} parameter as an estimate to warn if the ghost
+cutoff is not long enough.
 
 As described above the {alpha} argument is a pre-factor in the
 boostostat update equation for each bond's Cij prefactor.  {Alpha} is
@@ -269,7 +268,30 @@ NOTE: If you have no physical intuition as to the smallest barrier
 height in your system, a reasonable strategy to determine the largest
 {Btarget} you can use for an LHD model, is to run a sequence of
 simulations with smaller and smaller {Btarget} values, until the event
-rate does not change.
+rate does not change (as a function of hyper time).
+
+:line
+
+Here is additional information on the optional keywords for this fix.
+
+The {check/ghost} keyword turns on extra computation each timestep to
+compute statistics about ghost atoms used to determine which bonds to
+bias.  The output of these stats are the vector values 14 and 15,
+described below.  If this keyword is not enabled, the output
+of the stats will be zero.
+
+The {check/bias} keyword turns on extra computation and communication
+to check if any biased bonds are closer than {Dcut} to each other,
+which should not be the case if LHD is operating correctly.  Thus it
+is a debugging check.  The {Nevery} setting determines how often the
+check is made.  The {error}, {warn}, or {ignore} setting determines
+what is done if the count of too-close bonds is not zero.  Either the
+code will exit, or issue a warning, or silently tally the count.  The
+count can be output as vector value 17, as described below.  If this
+keyword is not enabled, the output of that statistic will be 0.
+
+Note that both of these computations are costly, hence they are only
+enabled by these keywords.
 
 :line
 
@@ -279,98 +301,123 @@ No information about this fix is written to "binary restart
 files"_restart.html.
 
 The "fix_modify"_fix_modify.html {energy} option is supported by this
-fix to add the energy of the bias potential to the the system's
+fix to add the energy of the bias potential to the system's
 potential energy as part of "thermodynamic output"_thermo_style.html.
 
-This fix computes a global scalar and global vector of length 23,
-which can be accessed by various "output
-commands"_Howto_output.html.  The scalar is the magnitude of
-the bias potential (energy units) applied on the current timestep,
-summed over all biased bonds.  The vector stores the following
-quantities:
+This fix computes a global scalar and global vector of length 21,
+which can be accessed by various "output commands"_Howto_output.html.
+The scalar is the magnitude of the bias potential (energy units)
+applied on the current timestep, summed over all biased bonds.  The
+vector stores the following quantities:
 
 1 = # of biased bonds on this step
-2 = max strain Eij of any bond on this step (unitless)
-3 = average bias potential for all biased bonds on this step (energy units)
+2 = max strain Eij of any bond on this step (absolute value, unitless)
+3 = average bias coeff for all bonds on this step (unitless)
 4 = average # of bonds/atom on this step
 5 = average neighbor bonds/bond on this step within {Dcut} :ul
 
-6 = fraction of steps and bonds with no bias during this run
-7 = max drift distance of any atom during this run (distance units)
-8 = max bond length during this run (distance units)
-9 = average # of biased bonds/step during this run
-10 = average bias potential for all biased bonds during this run (energy units)
-11 = max bias potential for any biased bond during this run (energy units)
-12 = min bias potential for any biased bond during this run (energy units)
-13 = max distance from my sub-box of any ghost atom with maxstrain < qfactor during this run (distance units)
-14 = max distance outside my box of any ghost atom with any maxstrain during this run (distance units)
-15 = count of ghost neighbor atoms not found on reneighbor steps during this run
-16 = count of lost bond partners during this run
-17 = average bias coeff for lost bond partners during this run
-18 = count of bias overlaps found during this run
-19 = count of non-matching bias coefficients found during this run :ul
-
-20 = cumulative hyper time since fix created (time units)
-21 = cumulative count of event timesteps since fix created
-22 = cumulative count of atoms in events since fix created
-23 = cumulative # of new bonds since fix created :ul
+6 = max bond length during this run (distance units)
+7 = average # of biased bonds/step during this run
+8 = fraction of biased bonds with no bias during this run
+9 = fraction of biased bonds with negative strain during this run
+10 = average bias coeff for all bonds during this run (unitless)
+11 = min bias coeff for any bond during this run (unitless)
+12 = max bias coeff for any bond during this run (unitless) :ul
+
+13 = max drift distance of any bond atom during this run (distance units)
+14 = max distance from proc subbox of any ghost atom with maxstrain < qfactor during this run (distance units)
+15 = max distance outside my box of any ghost atom with any maxstrain during this run (distance units)
+16 = count of ghost atoms that could not be found on reneighbor steps during this run
+17 = count of bias overlaps (< Dcut) found during this run :ul
+
+18 = cumulative hyper time since fix created (time units)
+19 = cumulative count of event timesteps since fix created
+20 = cumulative count of atoms in events since fix created
+21 = cumulative # of new bonds formed since fix created :ul
 
 The first quantities (1-5) are for the current timestep.  Quantities
-6-19 are for the current hyper run.  They are reset each time a new
-hyper run is performed.  Quantities 20-23 are cumulative across
-multiple runs (since the fix was defined in the input script).
+6-17 are for the current hyper run.  They are reset each time a new
+hyper run is performed.  Quantities 18-21 are cumulative across
+multiple runs (since the point in the input script the fix was
+defined).
 
-For value 6, the numerator is a count of all biased bonds on every
+For value 8, the numerator is a count of all biased bonds on each
 timestep whose bias energy = 0.0 due to Eij >= {qfactor}.  The
 denominator is the count of all biased bonds on all timesteps.
 
-For value 7, drift is the distance an atom moves between timesteps
-when the bond list is reset, i.e. between events.  Atoms involved in
-an event will typically move the greatest distance since others are
-typically oscillating around their lattice site.
-
-For values 13 and 14, the maxstrain of a ghost atom is the maxstrain
-of any bond it is part of, and it is checked for ghost atoms within
-the bond neighbor cutoff.
-
-Values 15-19 are mostly useful for debugging and diagnostic purposes.
-
-For values 15-17, it is possible that a ghost atom owned by another
-processor will move far enough (e.g. as part of an event-in-progress)
-that it will no longer be within the communication cutoff distance for
-acquiring ghost atoms.  Likewise it may be a ghost atom bond partner
-that cannot be found because it has moved too far.  These values count
-those occurrences.  Because they typically involve atoms that are part
-of events, they do not usually indicate bad dynamics.  Value 16 is the
-average bias coefficient for bonds where a partner atom was lost.
-
-For value 18, no two bonds should be biased if they are within a
+For value 9, the numerator is a count of all biased bonds on each
+timestep with negative strain.  The denominator is the count of all
+biased bonds on all timesteps.
+
+Values 13-17 are mostly useful for debugging and diagnostic purposes.
+
+For value 13, drift is the distance an atom moves between two quenched
+states when the second quench determines an event has occurred.  Atoms
+involved in an event will typically move the greatest distance since
+others typically remain near their original quenched position.
+
+For values 14-16, neighbor atoms in the full neighbor list with cutoff
+{Dcut} may be ghost atoms outside a processor's sub-box.  Before the
+next event occurs they may move further than {Dcut} away from the
+sub-box boundary.  Value 14 is the furthest (from the sub-box) any
+ghost atom in the neighbor list with maxstrain < {qfactor} was
+accessed during the run.  Value 15 is the same except that the ghost
+atom's maxstrain may be >= {qfactor}, which may mean it is about to
+participate in an event.  Value 16 is a count of how many ghost atoms
+could not be found on reneighbor steps, presumably because they moved
+too far away due to their participation in an event (which will likely
+be detected at the next quench).
+
+Typical values for 14 and 15 should be slightly larger than {Dcut},
+which accounts for ghost atoms initially at a {Dcut} distance moving
+thermally before the next event takes place.
+
+Note that for values 14 and 15 to be computed, the optional keyword
+{check/ghost} must be specified.  Otherwise these values will be zero.
+This is because computing them incurs overhead, so the values are only
+computed if requested.
+
+Value 16 should be zero or small.  As explained above a small count
+likely means some ghost atoms were participating in their own events
+and moved a longer distance.  If the value is large, it likely means
+the communication cutoff for ghosts is too close to {Dcut} leading to
+many not-found ghost atoms before the next event.  This may lead to a
+reduced number of bonds being selected for biasing, since the code
+assumes those atoms are part of highly strained bonds.  As explained
+above, the "comm_modify cutoff"_comm_modify.html command can be used
+to set a longer cutoff.
+
+For value 17, no two bonds should be biased if they are within a
 {Dcut} distance of each other.  This value should be zero, indicating
-that no pair of bonds "overlap", meaning they are closer than {Dcut}
-from each other.
+that no pair of biased bonds are closer than {Dcut} from each other.
+
+Note that for values 17 to be computed, the optional keyword
+{check/bias} must be specified and it determines how often this check
+is performed.  This is because performing the check incurs overhead,
+so if only computed as often as requested.
 
-For value 19, the same bias coefficient is stored by both atoms in an
-IJ bond.  This value should be zero, indicating that for all bonds,
-each atom in the bond stores the a bias coefficient with the same
-value.
+The result at the end of the run is the cumulative total from every
+timestep the check was made.  Note that the value is a count of atoms
+in bonds which found other atoms in bonds too close, so it is almost
+always an over-count of the number of too-close bonds.
 
-Value 20 is simply the specified {boost} factor times the number of
-timestep times the timestep size.
+Value 18 is simply the specified {boost} factor times the number of
+timesteps times the timestep size.
 
-For value 21, events are checked for by the "hyper"_hyper.html command
+For value 19, events are checked for by the "hyper"_hyper.html command
 once every {Nevent} timesteps.  This value is the count of those
 timesteps on which one (or more) events was detected.  It is NOT the
 number of distinct events, since more than one event may occur in the
 same {Nevent} time window.
 
-For value 22, each time the "hyper"_hyper.html command checks for an
+For value 20, each time the "hyper"_hyper.html command checks for an
 event, it invokes a compute to flag zero or more atoms as
 participating in one or more events.  E.g. atoms that have displaced
-more than some distance from the previous quench state.  Value 22 is
+more than some distance from the previous quench state.  Value 20 is
 the cumulative count of the number of atoms participating in any of
 the events that were found.
 
-Value 23 tallies the number of new bonds created by the bond reset
+Value 21 tallies the number of new bonds created by the bond reset
 operation.  Bonds between a specific I,J pair of atoms may persist for
 the entire hyperdynamics simulation if neither I or J are involved in
 an event.
@@ -378,6 +425,16 @@ an event.
 The scalar and vector values calculated by this fix are all
 "intensive".
 
+This fix also computes a local vector of length the number of bonds
+currently in the system.  The value for each bond is its Cij prefactor
+(bias coefficient).  These values can be can be accessed by various
+"output commands"_Howto_output.html.  A particularly useful one is the
+"fix ave/histo"_fix_ave_histo.html command which can be used to
+histogram the Cij values to see if they are distributed reasonably
+close to 1.0, which indicates a good choice of {Vmax}.
+
+The local values calculated by this fix are unitless.
+
 No parameter of this fix can be used with the {start/stop} keywords of
 the "run"_run.html command.  This fix is not invoked during "energy
 minimization"_minimize.html.
@@ -392,7 +449,9 @@ doc page for more info.
 
 "hyper"_hyper.html, "fix hyper/global"_fix_hyper_global.html
 
-[Default:] None
+[Default:]
+
+The check/ghost and check/bias keywords are not enabled by default.
 
 :line
 
diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt
index 85c97a3436a8928b791e644e2de4422a52539116..861eed4a6fc9a4eb08aa4dc5954797e178c0b260 100644
--- a/doc/src/fix_langevin.txt
+++ b/doc/src/fix_langevin.txt
@@ -217,10 +217,6 @@ the particles.  As described below, this energy can then be printed
 out or added to the potential energy of the system to monitor energy
 conservation.
 
-NOTE: this accumulated energy does NOT include kinetic energy removed
-by the {zero} flag. LAMMPS will print a warning when both options are
-active.
-
 The keyword {zero} can be used to eliminate drift due to the
 thermostat. Because the random forces on different atoms are
 independent, they do not sum exactly to zero.  As a result, this fix
diff --git a/doc/src/fix_langevin_spin.txt b/doc/src/fix_langevin_spin.txt
index ddd3a0319bb85c164cd47ea95bf0ac44f6e53e08..e4065adad54375a1b5b922f36d4c7073b2414496 100644
--- a/doc/src/fix_langevin_spin.txt
+++ b/doc/src/fix_langevin_spin.txt
@@ -99,4 +99,4 @@ integration fix (e.g. {fix nve/spin}).
 
 :link(Tranchida2)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/fix_neb.txt b/doc/src/fix_neb.txt
index 410ab3d4d1e20c140cb89818862216c20e6099c9..87292bb5cdfbeffc81717d166656d8b486304f51 100644
--- a/doc/src/fix_neb.txt
+++ b/doc/src/fix_neb.txt
@@ -97,7 +97,7 @@ Note that in this case the specified {Kspring} is in force/distance
 units.
 
 With a value of {ideal}, the spring force is computed as suggested in
-"(WeinenE)"_#WeinenE :
+"(WeinanE)"_#WeinanE :
 
 Fnudge_parallel = -{Kspring} * (RD-RDideal) / (2 * meanDist) :pre
 
@@ -224,8 +224,8 @@ specified (no inter-replica force on the end replicas).
 [(Henkelman2)] Henkelman, Uberuaga, Jonsson, J Chem Phys, 113,
 9901-9904 (2000).
 
-:link(WeinenE)
-[(WeinenE)] E, Ren, Vanden-Eijnden, Phys Rev B, 66, 052301 (2002).
+:link(WeinanE)
+[(WeinanE)] E, Ren, Vanden-Eijnden, Phys Rev B, 66, 052301 (2002).
 
 :link(Jonsson)
 [(Jonsson)] Jonsson, Mills and Jacobsen, in Classical and Quantum
diff --git a/doc/src/fix_neb_spin.txt b/doc/src/fix_neb_spin.txt
new file mode 100644
index 0000000000000000000000000000000000000000..89420f451ca793260a306b5ea60a556fd1968291
--- /dev/null
+++ b/doc/src/fix_neb_spin.txt
@@ -0,0 +1,76 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+fix neb/spin command :h3
+
+[Syntax:]
+
+fix ID group-ID neb/spin Kspring :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+neb/spin = style name of this fix command :l
+Kspring = spring constant for parallel nudging force
+(force/distance units or force units, see parallel keyword) :pre,ule
+
+[Examples:]
+
+fix 1 active neb/spin 1.0
+
+[Description:]
+
+Add nudging forces to spins in the group for a multi-replica
+simulation run via the "neb/spin"_neb_spin.html command to perform a 
+geodesic nudged elastic band (GNEB) calculation for finding the 
+transition state.
+Hi-level explanations of GNEB are given with the 
+"neb/spin"_neb_spin.html command and on the 
+"Howto replica"_Howto_replica.html doc page.  
+The fix neb/spin command must be used with the "neb/spin" command and 
+defines how inter-replica nudging forces are computed.  A GNEB 
+calculation is divided in two stages. In the first stage n replicas 
+are relaxed toward a MEP until convergence.  In the second stage, the 
+climbing image scheme is enabled, so that the replica having the highest 
+energy relaxes toward the saddle point (i.e. the point of highest energy 
+along the MEP), and a second relaxation is performed.
+
+The nudging forces are calculated as explained in
+"(BessarabB)"_#BessarabB).
+See this reference for more explanation about their expression.
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about this fix is written to "binary restart
+files"_restart.html.  None of the "fix_modify"_fix_modify.html options
+are relevant to this fix.  No global or per-atom quantities are stored
+by this fix for access by various "output commands"_Howto_output.html.
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.
+
+The forces due to this fix are imposed during an energy minimization,
+as invoked by the "minimize"_minimize.html command via the
+"neb/spin"_neb_spin.html command.
+
+[Restrictions:]
+
+This command can only be used if LAMMPS was built with the SPIN
+package.  See the "Build package"_Build_package.html doc
+page for more info.
+
+[Related commands:]
+
+"neb_spin"_neb_spin.html
+
+[Default:]
+
+none
+
+:line
+
+:link(BessarabB)
+[(BessarabB)] Bessarab, Uzdin, Jonsson, Comp Phys Comm, 196,
+335-347 (2015).
diff --git a/doc/src/fix_nve_spin.txt b/doc/src/fix_nve_spin.txt
index af435dc730bdbe6db5d2ac5aca616e42d1edc3f1..7b382bb6adc66a96fd9953e71807f80a20f3cce6 100644
--- a/doc/src/fix_nve_spin.txt
+++ b/doc/src/fix_nve_spin.txt
@@ -73,4 +73,4 @@ instead of "array" is also valid.
 
 :link(Tranchida1)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/fix_phonon.txt b/doc/src/fix_phonon.txt
index 23d4d095529f61725538a86b27c4a290cac602d3..73f2f4600b58088c151cc34873e18ed657d306a7 100644
--- a/doc/src/fix_phonon.txt
+++ b/doc/src/fix_phonon.txt
@@ -179,7 +179,8 @@ settings"_Build_settings.html doc page for details.
 
 [Related commands:]
 
-"compute msd"_compute_msd.html
+"compute msd"_compute_msd.html,
+"dynamical_matrix"_dynamical_matrix.html
 
 [Default:]
 
diff --git a/doc/src/fix_precession_spin.txt b/doc/src/fix_precession_spin.txt
index f16522c7b624c3f04bfbdf1589fe974066a1ff4c..708b2bd7aad2e120827548195ff1634fd0baa11d 100644
--- a/doc/src/fix_precession_spin.txt
+++ b/doc/src/fix_precession_spin.txt
@@ -14,24 +14,28 @@ fix ID group precession/spin style args :pre
 
 ID, group are documented in "fix"_fix.html command :ulb,l
 precession/spin = style name of this fix command :l
-style = {zeeman} or {anisotropy} :l
+style = {zeeman} or {anisotropy} or {cubic} :l
   {zeeman} args = H x y z
     H = intensity of the magnetic field (in Tesla)
     x y z = vector direction of the field
   {anisotropy} args = K x y z
     K = intensity of the magnetic anisotropy (in eV)
     x y z = vector direction of the anisotropy :pre
+  {cubic} args = K1 K2c n1x n1y n1x n2x n2y n2z n3x n3y n3z 
+    K1 and K2c = intensity of the magnetic anisotropy (in eV)
+    n1x to n3z = three direction vectors of the cubic anisotropy :pre
 :ule
 
 [Examples:]
 
 fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0
-fix 1 all precession/spin anisotropy 0.001 0.0 0.0 1.0
+fix 1 3 precession/spin anisotropy 0.001 0.0 0.0 1.0
+fix 1 iron precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
 fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0 anisotropy 0.001 0.0 0.0 1.0 :pre
 
 [Description:]
 
-Impose a force torque to each magnetic spin in the group.
+This fix applies a precession torque to each magnetic spin in the group.
 
 Style {zeeman} is used for the simulation of the interaction
 between the magnetic spins in the defined group and an external
@@ -50,10 +54,29 @@ for the magnetic spins in the defined group:
 with n defining the direction of the anisotropy, and K (in eV) its intensity.
 If K>0, an easy axis is defined, and if K<0, an easy plane is defined.
 
-In both cases, the choice of (x y z) imposes the vector direction for the force.
-Only the direction of the vector is important; it's length is ignored.
+Style {cubic} is used to simulate a cubic anisotropy, with three
+possible easy axis for the magnetic spins in the defined group: 
 
-Both styles can be combined within one single command line.
+:c,image(Eqs/fix_spin_cubic.jpg)
+
+with K1 and K2c (in eV) the intensity coefficients and 
+n1, n2 and n3 defining the three anisotropic directions
+defined by the command (from n1x to n3z). 
+For n1 = (100), n2 = (010), and n3 = (001), K1 < 0 defines an 
+iron type anisotropy (easy axis along the (001)-type cube
+edges), and K1 > 0 defines a nickel type anisotropy (easy axis
+along the (111)-type cube diagonals). 
+K2^c > 0 also defines easy axis along the (111)-type cube
+diagonals.
+See chapter 2 of "(Skomski)"_#Skomski1 for more details on cubic
+anisotropies.
+
+In all cases, the choice of (x y z) only imposes the vector
+directions for the forces. Only the direction of the vector is 
+important; it's length is ignored (the entered vectors are
+normalized).
+
+Those styles can be combined within one single command line.
 
 :line
 
@@ -85,3 +108,9 @@ package"_Build_package.html doc page for more info.
 "atom_style spin"_atom_style.html
 
 [Default:] none
+
+:line
+
+:link(Skomski1)
+[(Skomski)] Skomski, R. (2008). Simple models of magnetism.
+Oxford University Press.
diff --git a/doc/src/fix_print.txt b/doc/src/fix_print.txt
index d23c1103d3000963e8efcf4600080f79bf3eac20..cafc1807188330bb6371a4a5edefeb6ea5a115bf 100644
--- a/doc/src/fix_print.txt
+++ b/doc/src/fix_print.txt
@@ -14,7 +14,7 @@ fix ID group-ID print N string keyword value ... :pre
 
 ID, group-ID are documented in "fix"_fix.html command :ulb,l
 print = style name of this fix command :l
-N = print every N steps :l
+N = print every N steps; N can be a variable (see below) :l
 string = text string to print with optional variable names :l
 zero or more keyword/value pairs may be appended :l
 keyword = {file} or {append} or {screen} or {title} :l
@@ -40,6 +40,21 @@ If it contains variables it must be enclosed in double quotes to
 insure they are not evaluated when the input script line is read, but
 will instead be evaluated each time the string is printed.
 
+Instead of a numeric value, N can be specified as an "equal-style
+variable"_variable.html, which should be specified as v_name, where
+name is the variable name.  In this case, the variable is evaluated at
+the beginning of a run to determine the [next] timestep at which the
+string will be written out.  On that timestep, the variable will be
+evaluated again to determine the next timestep, etc.
+Thus the variable should return timestep values.  See the stagger()
+and logfreq() and stride() math functions for "equal-style
+variables"_variable.html, as examples of useful functions to use in
+this context. For example, the following commands will print output at
+timesteps 10,20,30,100,200,300,1000,2000,etc:
+
+variable        s equal logfreq(10,3,10)
+fix extra all print v_s "Coords of marker atom = $x $y $z" :pre
+
 The specified group-ID is ignored by this fix.
 
 See the "variable"_variable.html command for a description of {equal}
diff --git a/doc/src/fix_setforce.txt b/doc/src/fix_setforce.txt
index 4b9abba52ffee7bba246501c3fc77a8d5f495616..63713d87c289bd140bccbdfdc0942b0d61bc5179 100644
--- a/doc/src/fix_setforce.txt
+++ b/doc/src/fix_setforce.txt
@@ -8,6 +8,7 @@
 
 fix setforce command :h3
 fix setforce/kk command :h3
+fix setforce/spin command :h3
 
 [Syntax:]
 
@@ -27,6 +28,7 @@ keyword = {region}  :l
 
 fix freeze indenter setforce 0.0 0.0 0.0
 fix 2 edge setforce NULL 0.0 0.0
+fix 1 edge setforce/spin 0.0 0.0 0.0
 fix 2 edge setforce NULL 0.0 v_oscillate :pre
 
 [Description:]
@@ -65,6 +67,19 @@ to it.
 
 :line
 
+Style {spin} suffix sets the components of the magnetic precession 
+vectors instead of the mechanical forces. This also erases all 
+previously computed magnetic precession vectors on the atom, though 
+additional magnetic fixes could add new forces.
+
+This command can be used to freeze the magnetic moment of certain 
+atoms in the simulation by zeroing their precession vector. 
+
+All options defined above remain valid, they just apply to the magnetic 
+precession vectors instead of the forces.
+
+:line
+
 Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
 functionally the same as the corresponding style without the suffix.
 They have been optimized to run faster, depending on your available
@@ -117,7 +132,10 @@ forces to any value besides zero when performing a minimization.  Use
 the "fix addforce"_fix_addforce.html command if you want to apply a
 non-zero force to atoms during a minimization.
 
-[Restrictions:] none
+[Restrictions:] 
+
+The fix {setforce/spin} only makes sense when LAMMPS was built with the
+SPIN package.
 
 [Related commands:]
 
diff --git a/doc/src/fix_wall_gran.txt b/doc/src/fix_wall_gran.txt
index 871ee2e5d16fd3a73858bf45c96edc362c136f89..4b3ff15cc961aee50f229e0f8a692ec5f861b223 100644
--- a/doc/src/fix_wall_gran.txt
+++ b/doc/src/fix_wall_gran.txt
@@ -7,22 +7,24 @@
 :line
 
 fix wall/gran command :h3
-fix wall/gran/omp command :h3
 
 [Syntax:]
 
-fix ID group-ID wall/gran fstyle Kn Kt gamma_n gamma_t xmu dampflag wallstyle args keyword values ... :pre
+fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ... :pre
 
 ID, group-ID are documented in "fix"_fix.html command :ulb,l
 wall/gran = style name of this fix command :l
 fstyle = style of force interactions between particles and wall :l
-  possible choices: hooke, hooke/history, hertz/history :pre
-Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below) :l
-Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below) :l
-gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below) :l
-gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below) :l
-xmu = static yield criterion (unitless value between 0.0 and 1.0e4) :l
-dampflag = 0 or 1 if tangential damping force is excluded or included :l
+  possible choices: hooke, hooke/history, hertz/history, granular :pre
+fstyle_params = parameters associated with force interaction style :l
+  For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
+        Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
+        Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
+        gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
+        gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
+        xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
+        dampflag = 0 or 1 if tangential damping force is excluded or included :pre
+  For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
 wallstyle = {xplane} or {yplane} or {zplane} or {zcylinder} :l
 args = list of arguments for a particular style :l
   {xplane} or {yplane} or {zplane} args = lo hi
@@ -44,7 +46,10 @@ keyword = {wiggle} or {shear} :l
 
 fix 1 all wall/gran hooke  200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0
 fix 1 all wall/gran hooke/history 200000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 NULL
-fix 2 all wall/gran hooke 100000.0 20000.0 50.0 30.0 0.5 1 zcylinder 15.0 wiggle z 3.0 2.0 :pre
+fix 2 all wall/gran hooke 100000.0 20000.0 50.0 30.0 0.5 1 zcylinder 15.0 wiggle z 3.0 2.0
+fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
+fix 4 all wall/gran/region granular jkr 1e5 1500.0 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall region myCone
+fix 5 all wall/gran/region granular dmt 1e5 0.2 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall damping tsuji region myCone :pre
 
 [Description:]
 
@@ -54,31 +59,40 @@ close enough to touch it.
 
 The nature of the wall/particle interactions are determined by the
 {fstyle} setting.  It can be any of the styles defined by the
-"pair_style granular"_pair_gran.html commands.  Currently this is
-{hooke}, {hooke/history}, or {hertz/history}.  The equation for the
-force between the wall and particles touching it is the same as the
-corresponding equation on the "pair_style granular"_pair_gran.html doc
-page, in the limit of one of the two particles going to infinite
-radius and mass (flat wall).  Specifically, delta = radius - r =
-overlap of particle with wall, m_eff = mass of particle, and the
-effective radius of contact = RiRj/Ri+Rj is just the radius of the
-particle.
+"pair_style gran/*"_pair_gran.html or the more general "pair_style
+granular"_pair_granular.html" commands.  Currently the options are
+{hooke}, {hooke/history}, or {hertz/history} for the former, and
+{granular} with all the possible options of the associated
+{pair_coeff} command for the latter.  The equation for the force
+between the wall and particles touching it is the same as the
+corresponding equation on the "pair_style gran/*"_pair_gran.html and
+"pair_style_granular"_pair_granular.html doc pages, in the limit of
+one of the two particles going to infinite radius and mass (flat
+wall).  Specifically, delta = radius - r = overlap of particle with
+wall, m_eff = mass of particle, and the effective radius of contact =
+RiRj/Ri+Rj is set to the radius of the particle.
 
 The parameters {Kn}, {Kt}, {gamma_n}, {gamma_t}, {xmu} and {dampflag}
 have the same meaning and units as those specified with the
-"pair_style granular"_pair_gran.html commands.  This means a NULL can
-be used for either {Kt} or {gamma_t} as described on that page.  If a
+"pair_style gran/*"_pair_gran.html commands.  This means a NULL can be
+used for either {Kt} or {gamma_t} as described on that page.  If a
 NULL is used for {Kt}, then a default value is used where {Kt} = 2/7
 {Kn}.  If a NULL is used for {gamma_t}, then a default value is used
 where {gamma_t} = 1/2 {gamma_n}.
 
+All the model choices for cohesion, tangential friction, rolling
+friction and twisting friction supported by the "pair_style
+granular"_pair_granular.html through its {pair_coeff} command are also
+supported for walls. These are discussed in greater detail on the doc
+page for "pair_style granular"_pair_granular.html.
+
 Note that you can choose a different force styles and/or different
-values for the 6 wall/particle coefficients than for particle/particle
+values for the wall/particle coefficients than for particle/particle
 interactions.  E.g. if you wish to model the wall as a different
 material.
 
 NOTE: As discussed on the doc page for "pair_style
-granular"_pair_gran.html, versions of LAMMPS before 9Jan09 used a
+gran/*"_pair_gran.html, versions of LAMMPS before 9Jan09 used a
 different equation for Hertzian interactions.  This means Hertizian
 wall/particle interactions have also changed.  They now include a
 sqrt(radius) term which was not present before.  Also the previous
@@ -108,14 +122,14 @@ Optionally, the wall can be moving, if the {wiggle} or {shear}
 keywords are appended.  Both keywords cannot be used together.
 
 For the {wiggle} keyword, the wall oscillates sinusoidally, similar to
-the oscillations of particles which can be specified by the
-"fix move"_fix_move.html command.  This is useful in packing
-simulations of granular particles.  The arguments to the {wiggle}
-keyword specify a dimension for the motion, as well as it's
-{amplitude} and {period}.  Note that if the dimension is in the plane
-of the wall, this is effectively a shearing motion.  If the dimension
-is perpendicular to the wall, it is more of a shaking motion.  A
-{zcylinder} wall can only be wiggled in the z dimension.
+the oscillations of particles which can be specified by the "fix
+move"_fix_move.html command.  This is useful in packing simulations of
+granular particles.  The arguments to the {wiggle} keyword specify a
+dimension for the motion, as well as it's {amplitude} and {period}.
+Note that if the dimension is in the plane of the wall, this is
+effectively a shearing motion.  If the dimension is perpendicular to
+the wall, it is more of a shaking motion.  A {zcylinder} wall can only
+be wiggled in the z dimension.
 
 Each timestep, the position of a wiggled wall in the appropriate {dim}
 is set according to this equation:
@@ -137,28 +151,6 @@ the clockwise direction for {vshear} > 0 or counter-clockwise for
 {vshear} < 0.  In this case, {vshear} is the tangential velocity of
 the wall at whatever {radius} has been defined.
 
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
 This fix writes the shear friction state of atoms interacting with the
@@ -188,6 +180,7 @@ Any dimension (xyz) that has a granular wall must be non-periodic.
 
 "fix move"_fix_move.html,
 "fix wall/gran/region"_fix_wall_gran_region.html,
-"pair_style granular"_pair_gran.html
+"pair_style gran/*"_pair_gran.html
+"pair_style granular"_pair_granular.html
 
 [Default:] none
diff --git a/doc/src/fix_wall_gran_region.txt b/doc/src/fix_wall_gran_region.txt
index e4145c003e75375f3f26896d044d350ce55ea04d..50dad364e02d3b758b04ef5d7e283a88d6c40b1a 100644
--- a/doc/src/fix_wall_gran_region.txt
+++ b/doc/src/fix_wall_gran_region.txt
@@ -10,24 +10,30 @@ fix wall/gran/region command :h3
 
 [Syntax:]
 
-fix ID group-ID wall/gran/region fstyle Kn Kt gamma_n gamma_t xmu dampflag wallstyle regionID :pre
+fix ID group-ID wall/gran/region fstyle fstyle_params wallstyle regionID :pre
 
 ID, group-ID are documented in "fix"_fix.html command :ulb,l
 wall/region = style name of this fix command :l
 fstyle = style of force interactions between particles and wall :l
-  possible choices: hooke, hooke/history, hertz/history :pre
-Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below) :l
-Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below) :l
-gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below) :l
-gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below) :l
-xmu = static yield criterion (unitless value between 0.0 and 1.0e4) :l
-dampflag = 0 or 1 if tangential damping force is excluded or included :l
+  possible choices: hooke, hooke/history, hertz/history, granular :pre
+fstyle_params = parameters associated with force interaction style :l
+  For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
+        Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
+        Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
+        gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
+        gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
+        xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
+        dampflag = 0 or 1 if tangential damping force is excluded or included :pre
+  For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
 wallstyle = region (see "fix wall/gran"_fix_wall_gran.html for options for other kinds of walls) :l
 region-ID = region whose boundary will act as wall :l,ule
 
 [Examples:]
 
-fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone :pre
+fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone
+fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
+fix 4 all wall/gran/region granular jkr 1e5 1500.0 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall region myCone
+fix 5 all wall/gran/region granular dmt 1e5 0.2 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall damping tsuji region myCone :pre
 
 [Description:]
 
@@ -42,8 +48,8 @@ Here are snapshots of example models using this command.
 Corresponding input scripts can be found in examples/granregion.
 Click on the images to see a bigger picture.  Movies of these
 simulations are "here on the Movies
-page"_http://lammps.sandia.gov/movies.html#granregion of the
-LAMMPS web site.
+page"_http://lammps.sandia.gov/movies.html#granregion of the LAMMPS
+web site.
 
 :image(JPG/gran_funnel_small.jpg,JPG/gran_funnel.png)
 :image(JPG/gran_mixer_small.jpg,JPG/gran_mixer.png)
@@ -123,12 +129,16 @@ to make the two faces differ by epsilon in their position.
 
 The nature of the wall/particle interactions are determined by the
 {fstyle} setting.  It can be any of the styles defined by the
-"pair_style granular"_pair_gran.html commands.  Currently this is
-{hooke}, {hooke/history}, or {hertz/history}.  The equation for the
-force between the wall and particles touching it is the same as the
-corresponding equation on the "pair_style granular"_pair_gran.html doc
-page, but the effective radius is calculated using the radius of the
-particle and the radius of curvature of the wall at the contact point.
+"pair_style gran/*"_pair_gran.html or the more general "pair_style
+granular"_pair_granular.html" commands.  Currently the options are
+{hooke}, {hooke/history}, or {hertz/history} for the former, and
+{granular} with all the possible options of the associated
+{pair_coeff} command for the latter.  The equation for the force
+between the wall and particles touching it is the same as the
+corresponding equation on the "pair_style gran/*"_pair_gran.html and
+"pair_style_granular"_pair_granular.html doc pages, but the effective
+radius is calculated using the radius of the particle and the radius
+of curvature of the wall at the contact point.
 
 Specifically, delta = radius - r = overlap of particle with wall,
 m_eff = mass of particle, and RiRj/Ri+Rj is the effective radius, with
@@ -141,12 +151,18 @@ particle.
 
 The parameters {Kn}, {Kt}, {gamma_n}, {gamma_t}, {xmu} and {dampflag}
 have the same meaning and units as those specified with the
-"pair_style granular"_pair_gran.html commands.  This means a NULL can
-be used for either {Kt} or {gamma_t} as described on that page.  If a
+"pair_style gran/*"_pair_gran.html commands.  This means a NULL can be
+used for either {Kt} or {gamma_t} as described on that page.  If a
 NULL is used for {Kt}, then a default value is used where {Kt} = 2/7
 {Kn}.  If a NULL is used for {gamma_t}, then a default value is used
 where {gamma_t} = 1/2 {gamma_n}.
 
+All the model choices for cohesion, tangential friction, rolling
+friction and twisting friction supported by the "pair_style
+granular"_pair_granular.html through its {pair_coeff} command are also
+supported for walls. These are discussed in greater detail on the doc
+page for "pair_style granular"_pair_granular.html.
+
 Note that you can choose a different force styles and/or different
 values for the 6 wall/particle coefficients than for particle/particle
 interactions.  E.g. if you wish to model the wall as a different
@@ -154,9 +170,9 @@ material.
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
-Similar to "fix wall/gran"_fix_wall_gran.html command, this fix
-writes the shear friction state of atoms interacting with the wall to
-"binary restart files"_restart.html, so that a simulation can continue
+Similar to "fix wall/gran"_fix_wall_gran.html command, this fix writes
+the shear friction state of atoms interacting with the wall to "binary
+restart files"_restart.html, so that a simulation can continue
 correctly if granular potentials with shear "history" effects are
 being used.  This fix also includes info about a moving region in the
 restart file.  See the "read_restart"_read_restart.html command for
@@ -170,14 +186,14 @@ So you must re-define your region and if it is a moving region, define
 its motion attributes in a way that is consistent with the simulation
 that wrote the restart file.  In particular, if you want to change the
 region motion attributes (e.g. its velocity), then you should ensure
-the position/orientation of the region at the initial restart
-timestep is the same as it was on the timestep the restart file was
-written.  If this is not possible, you may need to ignore info in the
-restart file by defining a new fix wall/gran/region command in your
-restart script, e.g. with a different fix ID.  Or if you want to keep
-the shear history info but discard the region motion information, you
-can use the same fix ID for fix wall/gran/region, but assign it a
-region with a different region ID.
+the position/orientation of the region at the initial restart timestep
+is the same as it was on the timestep the restart file was written.
+If this is not possible, you may need to ignore info in the restart
+file by defining a new fix wall/gran/region command in your restart
+script, e.g. with a different fix ID.  Or if you want to keep the
+shear history info but discard the region motion information, you can
+use the same fix ID for fix wall/gran/region, but assign it a region
+with a different region ID.
 
 None of the "fix_modify"_fix_modify.html options are relevant to this
 fix.  No global or per-atom quantities are stored by this fix for
diff --git a/doc/src/fixes.txt b/doc/src/fixes.txt
index 3853bb77a9655069cbf8176d96431821a6bc0663..d966b9a225cca510a0ce61daff21099a75a01e26 100644
--- a/doc/src/fixes.txt
+++ b/doc/src/fixes.txt
@@ -40,6 +40,7 @@ Fixes :h1
    fix_dt_reset
    fix_efield
    fix_ehex
+   fix_electron_stopping
    fix_enforce2d
    fix_eos_cv
    fix_eos_table
@@ -83,6 +84,7 @@ Fixes :h1
    fix_msst
    fix_mvv_dpd
    fix_neb
+   fix_neb_spin
    fix_nh
    fix_nh_eff
    fix_nh_uef
diff --git a/doc/src/improper_fourier.txt b/doc/src/improper_fourier.txt
index 8b2021dccd5ff156aaaaf671cf77b12af9f1d105..1b569b38946b8746c1e6692959ae5af76640cf0a 100644
--- a/doc/src/improper_fourier.txt
+++ b/doc/src/improper_fourier.txt
@@ -27,7 +27,7 @@ The {fourier} improper style uses the following potential:
 where K is the force constant and omega is the angle between the IL
 axis and the IJK plane:
 
-:c,image(Eqs/umbrella.jpg)
+:c,image(JPG/umbrella.jpg)
 
 If all parameter (see bellow) is not zero, the all the three possible angles will taken in account.
 
diff --git a/doc/src/improper_inversion_harmonic.txt b/doc/src/improper_inversion_harmonic.txt
index 857eaecc5f8e8feb305b1cdf4ccd8768a7251d10..bf114daeb0c9e43ac418127de6ecbcde82b6d7fc 100644
--- a/doc/src/improper_inversion_harmonic.txt
+++ b/doc/src/improper_inversion_harmonic.txt
@@ -28,7 +28,7 @@ where K is the force constant and omega is the angle evaluated for
 all three axis-plane combinations centered around the atom I.  For
 the IL axis and the IJK plane omega looks as follows:
 
-:c,image(Eqs/umbrella.jpg)
+:c,image(JPG/umbrella.jpg)
 
 Note that the {inversion/harmonic} angle term evaluation differs to
 the "improper_umbrella"_improper_umbrella.html due to the cyclic
diff --git a/doc/src/improper_umbrella.txt b/doc/src/improper_umbrella.txt
index 6c29ec7ac5d879befb81202bbb6883b49c0b6599..9fe6ac07e1eb4b8087a64800d6f214ad624b1ee4 100644
--- a/doc/src/improper_umbrella.txt
+++ b/doc/src/improper_umbrella.txt
@@ -29,7 +29,7 @@ commonly referred to as a classic inversion and used in the
 where K is the force constant and omega is the angle between the IL
 axis and the IJK plane:
 
-:c,image(Eqs/umbrella.jpg)
+:c,image(JPG/umbrella.jpg)
 
 If omega0 = 0 the potential term has a minimum for the planar
 structure.  Otherwise it has two minima at +/- omega0, with a barrier
diff --git a/doc/src/kim_query.txt b/doc/src/kim_query.txt
new file mode 100644
index 0000000000000000000000000000000000000000..c581de0ebbee7637b6ce6f160a5f862abc956a03
--- /dev/null
+++ b/doc/src/kim_query.txt
@@ -0,0 +1,46 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+kim_query command :h3
+
+[Syntax:]
+
+kim_query variable query_function web_query_flags :pre
+
+variable = name of a (string style) variable where the result of the query is stored
+query_function = name of the OpenKIM web API query function to be used
+web_query_flags = a series of keyword=value pairs that represent the web query; supported keywords depend on query function :ul
+
+[Examples:]
+
+kim_query latconst get_test_result test=TE_156715955670 model=MO_800509458712 &
+  prop=structure-cubic-crystal-npt species=\["Al"\] keys=\["a"\] units=\["angstrom"\] :pre
+
+[Description:]
+
+The kim_query command allows to retrieve properties from the OpenKIM
+through a web query. The result is stored in a string style
+"variable"_variable.html, the name of which must be given as the first
+argument of the kim_query command.  The second required argument is the
+name of the actual query function (e.g. {get_test_result}).  All following
+arguments are parameters handed over to the web query in the format
+{keyword=value}.  The list of supported keywords and the type of how
+the value has to be encoded depends on the query function used.  This
+mirrors the functionality available on the OpenKIM webpage at
+"https://query.openkim.org"_https://query.openkim.org/
+
+[Restrictions:]
+
+This command is part of the KIM package.  It is only enabled if
+LAMMPS was built with that package.  Furthermore, its correct
+functioning depends on compiling LAMMPS with libcurl support.
+See the "Build package"_Build_package.html doc page for more info.
+
+[Related commands:]
+
+"pair_style kim"_pair_kim.html, "variable"_variable.html
diff --git a/doc/src/kspace_modify.txt b/doc/src/kspace_modify.txt
index 65b2174334774a27f910c0916df3a8064d5a5c82..c5a2ce1b696a4d1f27e6029e041c98fa09069d41 100644
--- a/doc/src/kspace_modify.txt
+++ b/doc/src/kspace_modify.txt
@@ -392,7 +392,8 @@ boundaries can be set using "boundary"_boundary.html (the slab
 approximation in not needed).  The {slab} keyword is not currently
 supported by Ewald or PPPM when using a triclinic simulation cell. The
 slab correction has also been extended to point dipole interactions
-"(Klapp)"_#Klapp in "kspace_style"_kspace_style.html {ewald/disp}.
+"(Klapp)"_#Klapp in "kspace_style"_kspace_style.html {ewald/disp},
+{ewald/dipole}, and {pppm/dipole}.
 
 NOTE: If you wish to apply an electric field in the Z-direction, in
 conjunction with the {slab} keyword, you should do it by adding
diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt
index e1f799a6c9c632dffde46d3b63f786e4f003f49d..98ec1e64e6284bad5204884d8457e80457f02d78 100644
--- a/doc/src/kspace_style.txt
+++ b/doc/src/kspace_style.txt
@@ -20,6 +20,10 @@ style = {none} or {ewald} or {ewald/disp} or {ewald/omp} or {pppm} or {pppm/cg}
     accuracy = desired relative error in forces
   {ewald/omp} value = accuracy
     accuracy = desired relative error in forces
+  {ewald/dipole} value = accuracy
+    accuracy = desired relative error in forces
+  {ewald/dipole/spin} value = accuracy
+    accuracy = desired relative error in forces
   {pppm} value = accuracy
     accuracy = desired relative error in forces
   {pppm/cg} values = accuracy (smallq)
@@ -47,6 +51,10 @@ style = {none} or {ewald} or {ewald/disp} or {ewald/omp} or {pppm} or {pppm/cg}
     accuracy = desired relative error in forces
   {pppm/stagger} value = accuracy
     accuracy = desired relative error in forces
+  {pppm/dipole} value = accuracy
+    accuracy = desired relative error in forces
+  {pppm/dipole/spin} value = accuracy
+    accuracy = desired relative error in forces
   {msm} value = accuracy
     accuracy = desired relative error in forces
   {msm/cg} value = accuracy (smallq)
@@ -105,9 +113,15 @@ The {ewald/disp} style adds a long-range dispersion sum option for
 but in a more efficient manner than the {ewald} style.  The 1/r^6
 capability means that Lennard-Jones or Buckingham potentials can be
 used without a cutoff, i.e. they become full long-range potentials.
-The {ewald/disp} style can also be used with point-dipoles
-"(Toukmaji)"_#Toukmaji and is currently the only kspace solver in
-LAMMPS with this capability.
+The {ewald/disp} style can also be used with point-dipoles, see
+"(Toukmaji)"_#Toukmaji.
+
+The {ewald/dipole} style adds long-range standard Ewald summations 
+for dipole-dipole interactions, see "(Toukmaji)"_#Toukmaji.
+
+The {ewald/dipole/spin} style adds long-range standard Ewald 
+summations for magnetic dipole-dipole interactions between
+magnetic spins.
 
 :line
 
@@ -128,6 +142,12 @@ The optional {smallq} argument defines the cutoff for the absolute
 charge value which determines whether a particle is considered charged
 or not.  Its default value is 1.0e-5.
 
+The {pppm/dipole} style invokes a particle-particle particle-mesh solver 
+for dipole-dipole interactions, following the method of "(Cerda)"_#Cerda2008.
+
+The {pppm/dipole/spin} style invokes a particle-particle particle-mesh solver 
+for magnetic dipole-dipole interactions between magnetic spins. 
+
 The {pppm/tip4p} style is identical to the {pppm} style except that it
 adds a charge at the massless 4th site in each TIP4P water molecule.
 It should be used with "pair styles"_pair_style.html with a
@@ -317,7 +337,10 @@ using ideas from chapter 3 of "(Hardy)"_#Hardy2006, with equation 3.197
 of particular note. When using {msm} with non-periodic boundary
 conditions, it is expected that the error estimation will be too
 pessimistic. RMS force errors for dipoles when using {ewald/disp}
-are estimated using equations 33 and 46 of "(Wang)"_#Wang.
+or {ewald/dipole} are estimated using equations 33 and 46 of
+"(Wang)"_#Wang. The RMS force errors for {pppm/dipole} are estimated
+using the equations in "(Cerda)"_#Cerda2008.
+
 
 See the "kspace_modify"_kspace_modify.html command for additional
 options of the K-space solvers that can be set, including a {force}
@@ -464,6 +487,9 @@ Illinois at Urbana-Champaign, (2006).
 :link(Sutmann2013)
 [(Sutmann)] Sutmann, Arnold, Fahrenberger, et. al., Physical review / E 88(6), 063308 (2013)
 
+:link(Cerda2008)
+[(Cerda)] Cerda, Ballenegger, Lenz, Holm, J Chem Phys 129, 234104 (2008)
+
 :link(Who2012)
 [(Who)] Who, Author2, Author3, J of Long Range Solvers, 35, 164-177
 (2012).
diff --git a/doc/src/lammps.book b/doc/src/lammps.book
index 02a55e38103ff08c4d9dc7c087c98f9ed6dc3185..8abe9cffa18cee3d7e6e8850cf85b4e982384b35 100644
--- a/doc/src/lammps.book
+++ b/doc/src/lammps.book
@@ -1,5 +1,5 @@
 #HTMLDOC 1.8.28
--t pdf14 -f "../Manual.pdf" --book --toclevels 4 --no-numbered --toctitle "Table of Contents" --title --textcolor #000000 --linkcolor #0000ff --linkstyle plain --bodycolor #ffffff --size Universal --left 1.00in --right 0.50in --top 0.50in --bottom 0.50in --header .t. --header1 ... --footer ..1 --nup 1 --tocheader .t. --tocfooter ..i --portrait --color --no-pscommands --no-xrxcomments --compression=9 --jpeg=0 --fontsize 11.0 --fontspacing 1.2 --headingfont Sans --bodyfont Serif --headfootsize 11.0 --headfootfont Sans-Bold --charset iso-8859-15 --links --embedfonts --pagemode document --pagelayout single --firstpage c1 --pageeffect none --pageduration 10 --effectduration 1.0 --no-encryption --permissions all  --owner-password ""  --user-password "" --browserwidth 680 --no-strict --no-overflow
+-t pdf14 -f "Manual.pdf" --book --toclevels 4 --no-numbered --toctitle "Table of Contents" --title --textcolor #000000 --linkcolor #0000ff --linkstyle plain --bodycolor #ffffff --size Universal --left 1.00in --right 0.50in --top 0.50in --bottom 0.50in --header .t. --header1 ... --footer ..1 --nup 1 --tocheader .t. --tocfooter ..i --portrait --color --no-pscommands --no-xrxcomments --compression=9 --jpeg=0 --fontsize 11.0 --fontspacing 1.2 --headingfont Sans --bodyfont Serif --headfootsize 11.0 --headfootfont Sans-Bold --charset iso-8859-15 --links --embedfonts --pagemode document --pagelayout single --firstpage c1 --pageeffect none --pageduration 10 --effectduration 1.0 --no-encryption --permissions all  --owner-password ""  --user-password "" --browserwidth 680 --no-strict --no-overflow
 Manual.html
 Intro.html
 Intro_overview.html
@@ -150,6 +150,7 @@ dielectric.html
 dimension.html
 displace_atoms.html
 dump.html
+dump_adios.html
 dump_h5md.html
 dump_image.html
 dump_modify.html
@@ -157,6 +158,7 @@ dump_molfile.html
 dump_netcdf.html
 dump_vtk.html
 dump_cfg_uef.html
+dynamical_matrix.html
 echo.html
 group.html
 group2ndx.html
@@ -165,6 +167,7 @@ if.html
 include.html
 info.html
 jump.html
+kim_query.html
 label.html
 lattice.html
 log.html
@@ -172,9 +175,11 @@ mass.html
 message.html
 min_modify.html
 min_style.html
+min_spin.html
 minimize.html
 molecule.html
 neb.html
+neb_spin.html
 neigh_modify.html
 neighbor.html
 newton.html
@@ -261,6 +266,7 @@ fix_drude_transform.html
 fix_dt_reset.html
 fix_efield.html
 fix_ehex.html
+fix_electron_stopping.html
 fix_enforce2d.html
 fix_eos_cv.html
 fix_eos_table.html
@@ -304,6 +310,7 @@ fix_mscg.html
 fix_msst.html
 fix_mvv_dpd.html
 fix_neb.html
+fix_neb_spin.html
 fix_nh.html
 fix_nh_eff.html
 fix_nph_asphere.html
@@ -567,6 +574,8 @@ pair_dipole.html
 pair_dpd.html
 pair_dpd_fdt.html
 pair_dsmc.html
+pair_e3b.html
+pair_drip.html
 pair_eam.html
 pair_edip.html
 pair_eff.html
@@ -576,6 +585,7 @@ pair_extep.html
 pair_gauss.html
 pair_gayberne.html
 pair_gran.html
+pair_granular.html
 pair_gromacs.html
 pair_gw.html
 pair_ilp_graphene_hbn.html
@@ -637,6 +647,7 @@ pair_sph_lj.html
 pair_sph_rhosum.html
 pair_sph_taitwater.html
 pair_sph_taitwater_morris.html
+pair_spin_dipole.html
 pair_spin_dmi.html
 pair_spin_exchange.html
 pair_spin_magelec.html
diff --git a/doc/src/lattice.txt b/doc/src/lattice.txt
index 6f16dc54323ae72ec99eed888f2c1a953e124647..3b50dc044b03a712b7c18b0576eb8dd2df00e546 100644
--- a/doc/src/lattice.txt
+++ b/doc/src/lattice.txt
@@ -124,7 +124,7 @@ so that they describe a tilted parallelepiped.  Via the {basis}
 keyword you add atoms, one at a time, to the unit cell.  Its arguments
 are fractional coordinates (0.0 <= x,y,z < 1.0).  The position vector
 x of a basis atom within the unit cell is thus a linear combination of
-the the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3,
+the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3,
 where bx,by,bz are the 3 values specified for the {basis} keyword.
 
 :line
diff --git a/doc/src/min_modify.txt b/doc/src/min_modify.txt
index 9408eea167bbc49274a203b0fe4586f724e8659a..d342e8bf0184a7f5d8eb2eea251949dd399cc48e 100644
--- a/doc/src/min_modify.txt
+++ b/doc/src/min_modify.txt
@@ -13,11 +13,15 @@ min_modify command :h3
 min_modify keyword values ... :pre
 
 one or more keyword/value pairs may be listed :ulb,l
-keyword = {dmax} or {line}
+keyword = {dmax} or {line} or {alpha_damp} or {discrete_factor}
   {dmax} value = max
     max = maximum distance for line search to move (distance units)
   {line} value = {backtrack} or {quadratic} or {forcezero}
-    backtrack,quadratic,forcezero = style of linesearch to use :pre
+    backtrack,quadratic,forcezero = style of linesearch to use 
+  {alpha_damp} value = damping
+    damping = fictitious Gilbert damping for spin minimization (adim)
+  {discrete_factor} value = factor
+    factor = discretization factor for adaptive spin timestep (adim) :pre
 :ule
 
 [Examples:]
@@ -65,6 +69,17 @@ difference of two large values (energy before and energy after) and
 that difference may be smaller than machine epsilon even if atoms
 could move in the gradient direction to reduce forces further.
 
+Keywords {alpha_damp} and {discrete_factor} only make sense when
+a "min_spin"_min_spin.html command is declared. 
+Keyword {alpha_damp} defines an analog of a magnetic Gilbert
+damping. It defines a relaxation rate toward an equilibrium for
+a given magnetic system. 
+Keyword {discrete_factor} defines a discretization factor for the
+adaptive timestep used in the {spin} minimization. 
+See "min_spin"_min_spin.html for more information about those
+quantities. 
+Default values are {alpha_damp} = 1.0 and {discrete_factor} = 10.0.
+
 [Restrictions:] none
 
 [Related commands:]
diff --git a/doc/src/min_spin.txt b/doc/src/min_spin.txt
new file mode 100644
index 0000000000000000000000000000000000000000..890e324aca41842471c3040838ab3e44fea5ef28
--- /dev/null
+++ b/doc/src/min_spin.txt
@@ -0,0 +1,65 @@
+"LAMMPS WWW Page"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+:line
+
+min_style spin command :h3
+
+[Syntax:]
+
+min_style spin :pre
+
+[Examples:]
+
+min_style 	spin :pre 
+
+[Description:]
+
+Apply a minimization algorithm to use when a "minimize"_minimize.html
+command is performed.
+
+Style {spin} defines a damped spin dynamics with an adaptive
+timestep, according to:
+
+:c,image(Eqs/min_spin_damping.jpg)
+
+with lambda a damping coefficient (similar to a Gilbert
+damping).
+Lambda can be defined by setting the {alpha_damp} keyword with the 
+"min_modify"_min_modify.html command. 
+
+The minimization procedure solves this equation using an
+adaptive timestep. The value of this timestep is defined 
+by the largest precession frequency that has to be solved in the 
+system:
+
+:c,image(Eqs/min_spin_timestep.jpg)
+
+with {|omega|_{max}} the norm of the largest precession frequency
+in the system (across all processes, and across all replicas if a
+spin/neb calculation is performed). 
+
+Kappa defines a discretization factor {discrete_factor} for the 
+definition of this timestep. 
+{discrete_factor} can be defined with the "min_modify"_min_modify.html
+command.
+
+NOTE: The {spin} style replaces the force tolerance by a torque
+tolerance. See "minimize"_minimize.html for more explanation. 
+
+[Restrictions:] 
+
+This minimization procedure is only applied to spin degrees of
+freedom for a frozen lattice configuration.
+
+[Related commands:]
+
+"min_style"_min_style.html, "minimize"_minimize.html, 
+"min_modify"_min_modify.html
+
+[Default:]
+
+The option defaults are {alpha_damp} = 1.0 and {discrete_factor} =
+10.0.
diff --git a/doc/src/min_style.txt b/doc/src/min_style.txt
index 4948a34864a4424a031e86ab4ace7937c1fd09fe..c46c1492b48223fbd7f6f5fa68ac25f2bb88e180 100644
--- a/doc/src/min_style.txt
+++ b/doc/src/min_style.txt
@@ -11,11 +11,12 @@ min_style command :h3
 
 min_style style :pre
 
-style = {cg} or {hftn} or {sd} or {quickmin} or {fire} :ul
+style = {cg} or {hftn} or {sd} or {quickmin} or {fire} or {spin} :ul
 
 [Examples:]
 
 min_style cg
+min_style spin
 min_style fire :pre
 
 [Description:]
@@ -61,6 +62,10 @@ the velocity non-parallel to the current force vector.  The velocity
 of each atom is initialized to 0.0 by this style, at the beginning of
 a minimization.
 
+Style {spin} is a damped spin dynamics with an adaptive 
+timestep.
+See the "min/spin"_min_spin.html doc page for more information.
+
 Either the {quickmin} and {fire} styles are useful in the context of
 nudged elastic band (NEB) calculations via the "neb"_neb.html command.
 
diff --git a/doc/src/minimize.txt b/doc/src/minimize.txt
index 00de86c5f50c24ccae9d810324df0d594004a3de..ecf1ad0fcffbb65cc9fcb320ff3285cdd6bcac14 100644
--- a/doc/src/minimize.txt
+++ b/doc/src/minimize.txt
@@ -103,6 +103,13 @@ the line search fails because the step distance backtracks to 0.0
 the number of outer iterations or timesteps exceeds {maxiter}
 the number of total force evaluations exceeds {maxeval} :ul
 
+NOTE: the "minimization style"_min_style.html {spin} replaces
+the force tolerance {ftol} by a torque tolerance.
+The minimization procedure stops if the 2-norm (length) of the 
+global torque vector (defined as the cross product between the 
+spins and their precession vectors omega) is less than {ftol}, 
+or if any of the other criteria are met.
+
 NOTE: You can also use the "fix halt"_fix_halt.html command to specify
 a general criterion for exiting a minimization, that is a calculation
 performed on the state of the current system, as defined by an
diff --git a/doc/src/molecule.txt b/doc/src/molecule.txt
index 4c066b5e2ed0eede2b660b67d325dc958bd1c951..e8b6bd8a7e40cdef46bd6b121363a8e5b0666cc5 100644
--- a/doc/src/molecule.txt
+++ b/doc/src/molecule.txt
@@ -396,7 +396,7 @@ If flag = 0, no a,b,c,d values are listed on the line, just the
 If flag = 1, a,b,c are listed, where a = ID of central atom in the
 angle, and b,c the other two atoms in the angle.
 
-If flag = 2, a,b are listed, where a = ID of atom in bond with the the
+If flag = 2, a,b are listed, where a = ID of atom in bond with the
 lowest ID, and b = ID of atom in bond with the highest ID.
 
 If flag = 3, a,b,c are listed, where a = ID of central atom,
diff --git a/doc/src/neb_spin.txt b/doc/src/neb_spin.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7dbd924cd249e099e33718b17eeeda18dd9331f2
--- /dev/null
+++ b/doc/src/neb_spin.txt
@@ -0,0 +1,375 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+neb/spin command :h3
+
+[Syntax:]
+
+neb/spin etol ttol N1 N2 Nevery file-style arg keyword :pre
+
+etol = stopping tolerance for energy (energy units) :ulb,l
+ttol = stopping tolerance for torque ( units) :l
+N1 = max # of iterations (timesteps) to run initial NEB :l
+N2 = max # of iterations (timesteps) to run barrier-climbing NEB :l
+Nevery = print replica energies and reaction coordinates every this many timesteps :l
+file-style = {final} or {each} or {none} :l
+  {final} arg = filename
+    filename = file with initial coords for final replica
+      coords for intermediate replicas are linearly interpolated
+      between first and last replica
+  {each} arg = filename
+    filename = unique filename for each replica (except first)
+      with its initial coords
+  {none} arg = no argument all replicas assumed to already have
+      their initial coords :pre
+keyword = {verbose}
+:ule
+
+[Examples:]
+
+neb/spin 0.1 0.0 1000 500 50 final coords.final
+neb/spin 0.0 0.001 1000 500 50 each coords.initial.$i
+neb/spin 0.0 0.001 1000 500 50 none verbose :pre
+
+[Description:]
+
+Perform a geodesic nudged elastic band (GNEB) calculation using multiple
+replicas of a system.  Two or more replicas must be used; the first
+and last are the end points of the transition path.
+
+GNEB is a method for finding both the spin configurations and height
+of the energy barrier associated with a transition state, e.g.
+spins to perform a collective rotation from one energy basin to
+another. 
+The implementation in LAMMPS follows the discussion in the
+following paper: "(BessarabA)"_#BessarabA.
+
+Each replica runs on a partition of one or more processors.  Processor
+partitions are defined at run-time using the "-partition command-line
+switch"_Run_options.html.  Note that if you have MPI installed, you
+can run a multi-replica simulation with more replicas (partitions)
+than you have physical processors, e.g you can run a 10-replica
+simulation on just one or two processors.  You will simply not get the
+performance speed-up you would see with one or more physical
+processors per replica.  See the "Howto replica"_Howto_replica.html
+doc page for further discussion.
+
+NOTE: As explained below, a GNEB calculation performs a damped dynamics
+minimization across all the replicas.  The "spin"_min_spin.html
+style minimizer has to be defined in your input script. 
+
+When a GNEB calculation is performed, it is assumed that each replica
+is running the same system, though LAMMPS does not check for this.
+I.e. the simulation domain, the number of magnetic atoms, the 
+interaction potentials, and the starting configuration when the neb 
+command is issued should be the same for every replica.
+
+In a GNEB calculation each replica is connected to other replicas by
+inter-replica nudging forces.  These forces are imposed by the "fix
+neb/spin"_fix_neb_spin.html command, which must be used in conjunction 
+with the neb command.  
+The group used to define the fix neb/spin command defines the
+GNEB magnetic atoms which are the only ones that inter-replica springs 
+are applied to.  
+If the group does not include all magnetic atoms, then non-GNEB
+magnetic atoms have no inter-replica springs and the torques they feel 
+and their precession motion is computed in the usual way due only 
+to other magnetic atoms within their replica.  
+Conceptually, the non-GNEB atoms provide a background force field for 
+the GNEB atoms.  
+Their magnetic spins can be allowed to evolve during the GNEB 
+minimization procedure.
+
+The initial spin configuration for each of the replicas can be
+specified in different manners via the {file-style} setting, as
+discussed below.  Only atomic spins whose initial coordinates should 
+differ from the current configuration need to be specified.
+
+Conceptually, the initial and final configurations for the first
+replica should be states on either side of an energy barrier.
+
+As explained below, the initial configurations of intermediate
+replicas can be spin coordinates interpolated in a linear fashion
+between the first and last replicas.  This is often adequate for
+simple transitions.  For more complex transitions, it may lead to slow
+convergence or even bad results if the minimum energy path (MEP, see
+below) of states over the barrier cannot be correctly converged to
+from such an initial path.  In this case, you will want to generate
+initial states for the intermediate replicas that are geometrically
+closer to the MEP and read them in.
+
+:line
+
+For a {file-style} setting of {final}, a filename is specified which
+contains atomic and spin coordinates for zero or more atoms, in the 
+format described below.  
+For each atom that appears in the file, the new coordinates are 
+assigned to that atom in the final replica.  Each intermediate replica 
+also assigns a new spin to that atom in an interpolated manner.  
+This is done by using the current direction of the spin at the starting 
+point and the read-in direction as the final point.  
+The "angular distance" between them is calculated, and the new direction 
+is assigned to be a fraction of the angular distance.
+
+NOTE: The "angular distance" between the starting and final point is 
+evaluated in the geodesic sense, as described in 
+"(BessarabA)"_#BessarabA. 
+
+NOTE: The angular interpolation between the starting and final point 
+is achieved using Rodrigues formula:
+
+:c,image(Eqs/neb_spin_rodrigues_formula.jpg)
+
+where m_i^I is the initial spin configuration for the spin i,
+omega_i^nu is a rotation angle defined as:
+
+:c,image(Eqs/neb_spin_angle.jpg)
+
+with nu the image number, Q the total number of images, and 
+omega_i the total rotation between the initial and final spins.
+k_i defines a rotation axis such as:
+
+:c,image(Eqs/neb_spin_k.jpg)
+
+if the initial and final spins are not aligned.
+If the initial and final spins are aligned, then their cross
+product is null, and the expression above does not apply.
+If they point toward the same direction, the intermediate images 
+conserve the same orientation.
+If the initial and final spins are aligned, but point toward
+opposite directions, an arbitrary rotation vector belonging to
+the plane perpendicular to initial and final spins is chosen. 
+In this case, a warning message is displayed.
+
+For a {file-style} setting of {each}, a filename is specified which is
+assumed to be unique to each replica. 
+See the "neb"_neb.html documentation page for more information about this 
+option.
+
+For a {file-style} setting of {none}, no filename is specified.  Each
+replica is assumed to already be in its initial configuration at the
+time the neb command is issued.  This allows each replica to define
+its own configuration by reading a replica-specific data or restart or
+dump file, via the "read_data"_read_data.html,
+"read_restart"_read_restart.html, or "read_dump"_read_dump.html
+commands.  The replica-specific names of these files can be specified
+as in the discussion above for the {each} file-style.  Also see the
+section below for how a NEB calculation can produce restart files, so
+that a long calculation can be restarted if needed.
+
+NOTE: None of the {file-style} settings change the initial
+configuration of any atom in the first replica.  The first replica
+must thus be in the correct initial configuration at the time the neb
+command is issued.
+
+:line
+
+A NEB calculation proceeds in two stages, each of which is a
+minimization procedure, performed via damped dynamics.  To enable
+this, you must first define a damped spin dynamics
+"min_style"_min_style.html, using the {spin} style (see
+"min_spin"_min_spin.html for more information).  
+The other styles cannot be used, since they relax the lattice
+degrees of freedom instead of the spins.
+
+The minimizer tolerances for energy and force are set by {etol} and
+{ttol}, the same as for the "minimize"_minimize.html command.
+
+A non-zero {etol} means that the GNEB calculation will terminate if the
+energy criterion is met by every replica.  The energies being compared
+to {etol} do not include any contribution from the inter-replica
+nudging forces, since these are non-conservative.  A non-zero {ttol}
+means that the GNEB calculation will terminate if the torque criterion
+is met by every replica.  The torques being compared to {ttol} include
+the inter-replica nudging forces.
+
+The maximum number of iterations in each stage is set by {N1} and
+{N2}.  These are effectively timestep counts since each iteration of
+damped dynamics is like a single timestep in a dynamics
+"run"_run.html.  During both stages, the potential energy of each
+replica and its normalized distance along the reaction path (reaction
+coordinate RD) will be printed to the screen and log file every
+{Nevery} timesteps.  The RD is 0 and 1 for the first and last replica.
+For intermediate replicas, it is the cumulative angular distance 
+(normalized by the total cumulative angular distance) between adjacent 
+replicas, where "distance" is defined as the length of the 3N-vector of 
+the geodesic distances in spin coordinates, with N the number of
+GNEB spins involved (see equation (13) in "(BessarabA)"_#BessarabA).
+These outputs allow you to monitor NEB's progress in
+finding a good energy barrier.  {N1} and {N2} must both be multiples
+of {Nevery}.
+
+In the first stage of GNEB, the set of replicas should converge toward
+a minimum energy path (MEP) of conformational states that transition
+over a barrier.  The MEP for a transition is defined as a sequence of
+3N-dimensional spin states, each of which has a potential energy 
+gradient parallel to the MEP itself.  
+The configuration of highest energy along a MEP corresponds to a saddle 
+point.  The replica states will also be roughly equally spaced along 
+the MEP due to the inter-replica nudging force added by the 
+"fix neb"_fix_neb.html command.
+
+In the second stage of GNEB, the replica with the highest energy is
+selected and the inter-replica forces on it are converted to a force
+that drives its spin coordinates to the top or saddle point of the
+barrier, via the barrier-climbing calculation described in
+"(BessarabA)"_#BessarabA.  As before, the other replicas rearrange
+themselves along the MEP so as to be roughly equally spaced.
+
+When both stages are complete, if the GNEB calculation was successful,
+the configurations of the replicas should be along (close to) the MEP
+and the replica with the highest energy should be a spin
+configuration at (close to) the saddle point of the transition. The
+potential energies for the set of replicas represents the energy
+profile of the transition along the MEP.
+
+:line
+
+An atom map must be defined which it is not by default for "atom_style
+atomic"_atom_style.html problems.  The "atom_modify
+map"_atom_modify.html command can be used to do this.
+
+An initial value can be defined for the timestep. Although, the {spin} 
+minimization algorithm is an adaptive timestep methodology, so that 
+this timestep is likely to evolve during the calculation.  
+
+The minimizers in LAMMPS operate on all spins in your system, even
+non-GNEB atoms, as defined above.  
+
+:line
+
+Each file read by the neb/spin command containing spin coordinates used
+to initialize one or more replicas must be formatted as follows.
+
+The file can be ASCII text or a gzipped text file (detected by a .gz
+suffix).  The file can contain initial blank lines or comment lines
+starting with "#" which are ignored.  The first non-blank, non-comment
+line should list N = the number of lines to follow.  The N successive
+lines contain the following information:
+
+ID1 g1 x1 y1 z1 sx1 sy1 sz1
+ID2 g2 x2 y2 z2 sx2 sy2 sz2
+...
+IDN gN yN zN sxN syN szN :pre
+
+The fields are the atom ID, the norm of the associated magnetic spin, 
+followed by the {x,y,z} coordinates and the {sx,sy,sz} spin coordinates.
+The lines can be listed in any order.  Additional trailing information on
+the line is OK, such as a comment.
+
+Note that for a typical GNEB calculation you do not need to specify
+initial spin coordinates for very many atoms to produce differing starting
+and final replicas whose intermediate replicas will converge to the
+energy barrier.  Typically only new spin coordinates for atoms
+geometrically near the barrier need be specified.
+
+Also note there is no requirement that the atoms in the file
+correspond to the GNEB atoms in the group defined by the "fix
+neb"_fix_neb.html command.  Not every GNEB atom need be in the file,
+and non-GNEB atoms can be listed in the file.
+
+:line
+
+Four kinds of output can be generated during a GNEB calculation: energy
+barrier statistics, thermodynamic output by each replica, dump files,
+and restart files.
+
+When running with multiple partitions (each of which is a replica in
+this case), the print-out to the screen and master log.lammps file
+contains a line of output, printed once every {Nevery} timesteps.  It
+contains the timestep, the maximum torque per replica, the maximum
+torque per atom (in any replica), potential gradients in the initial,
+final, and climbing replicas, the forward and backward energy
+barriers, the total reaction coordinate (RDT), and the normalized
+reaction coordinate and potential energy of each replica.
+
+The "maximum torque per replica" is the two-norm of the
+3N-length vector given by the cross product of a spin by its
+precession vector omega, in each replica, maximized across replicas, 
+which is what the {ttol} setting is checking against.  In this case, N is
+all the atoms in each replica.  The "maximum torque per atom" is the
+maximum torque component of any atom in any replica.  The potential
+gradients are the two-norm of the 3N-length magnetic precession vector 
+solely due to the interaction potential i.e. without adding in 
+inter-replica forces, and projected along the path tangent (as detailed 
+in Appendix D of "(BessarabA)"_#BessarabA).
+
+The "reaction coordinate" (RD) for each replica is the two-norm of the
+3N-length vector of geodesic distances between its spins and the preceding
+replica's spins (see equation (13) of "(BessarabA)"_#BessarabA), added to 
+the RD of the preceding replica. The RD of the first replica RD1 = 0.0; 
+the RD of the final replica RDN = RDT, the total reaction coordinate.  
+The normalized RDs are divided by RDT, so that they form a monotonically 
+increasing sequence from zero to one. When computing RD, N only includes 
+the spins being operated on by the fix neb/spin command.
+
+The forward (reverse) energy barrier is the potential energy of the
+highest replica minus the energy of the first (last) replica.
+
+Supplementary information for all replicas can be printed out to the
+screen and master log.lammps file by adding the verbose keyword. This
+information include the following. 
+The "GradVidottan" are the projections of the potential gradient for 
+the replica i on its tangent vector (as detailed in Appendix D of 
+"(BessarabA)"_#BessarabA).
+The "DNi" are the non normalized geodesic distances (see equation (13) 
+of "(BessarabA)"_#BessarabA), between a replica i and the next replica 
+i+1. For the last replica, this distance is not defined and a "NAN"
+value is the corresponding output. 
+
+When a NEB calculation does not converge properly, the supplementary
+information can help understanding what is going wrong. 
+
+When running on multiple partitions, LAMMPS produces additional log
+files for each partition, e.g. log.lammps.0, log.lammps.1, etc.  For a
+GNEB calculation, these contain the thermodynamic output for each
+replica.
+
+If "dump"_dump.html commands in the input script define a filename
+that includes a {universe} or {uloop} style "variable"_variable.html,
+then one dump file (per dump command) will be created for each
+replica.  At the end of the GNEB calculation, the final snapshot in
+each file will contain the sequence of snapshots that transition the
+system over the energy barrier.  Earlier snapshots will show the
+convergence of the replicas to the MEP.
+
+Likewise, "restart"_restart.html filenames can be specified with a
+{universe} or {uloop} style "variable"_variable.html, to generate
+restart files for each replica.  These may be useful if the GNEB
+calculation fails to converge properly to the MEP, and you wish to
+restart the calculation from an intermediate point with altered
+parameters.
+
+A c file script in provided in the tool/spin/interpolate_gneb
+directory, that interpolates the MEP given the information provided 
+by the verbose output option (as detailed in Appendix D of
+"(BessarabA)"_#BessarabA). 
+
+:line
+
+[Restrictions:]
+
+This command can only be used if LAMMPS was built with the SPIN
+package.  See the "Build package"_Build_package.html doc
+page for more info.
+
+:line
+
+[Related commands:]
+
+"min/spin"_min_spin.html, "fix neb/spin"_fix_neb_spin.html
+
+[Default:]
+
+none
+
+:line
+
+:link(BessarabA)
+[(BessarabA)] Bessarab, Uzdin, Jonsson, Comp Phys Comm, 196,
+335-347 (2015).
diff --git a/doc/src/neigh_modify.txt b/doc/src/neigh_modify.txt
index 6c4218cff56589fca8b41d6c8c8ab2fa96ee2c5b..c97cb53e4332b5b1411b933177accfec3291aad1 100644
--- a/doc/src/neigh_modify.txt
+++ b/doc/src/neigh_modify.txt
@@ -187,9 +187,9 @@ used in neighbor list construction to sort and find neighboring atoms.
 By default, for "neighbor style bin"_neighbor.html, LAMMPS uses bins
 that are 1/2 the size of the maximum pair cutoff.  For "neighbor style
 multi"_neighbor.html, the bins are 1/2 the size of the minimum pair
-cutoff.  Typically these are good values values for minimizing the
-time for neighbor list construction.  This setting overrides the
-default.  If you make it too big, there is little overhead due to
+cutoff.  Typically these are good values for minimizing the time for
+neighbor list construction.  This setting overrides the default.
+If you make it too big, there is little overhead due to
 looping over bins, but more atoms are checked.  If you make it too
 small, the optimal number of atoms is checked, but bin overhead goes
 up.  If you set the binsize to 0.0, LAMMPS will use the default
diff --git a/doc/src/neighbor.txt b/doc/src/neighbor.txt
index 3e590eaff109e524fc08986bd5275ff858a651e1..4a60f957d477d542ea8f564e38a8e5260864e0cf 100644
--- a/doc/src/neighbor.txt
+++ b/doc/src/neighbor.txt
@@ -56,7 +56,7 @@ bin size is set to 1/2 of the shortest cutoff distance and multiple
 sets of bins are defined to search over for different atom types.
 This imposes some extra setup overhead, but the searches themselves
 may be much faster for the short-cutoff cases.  See the "comm_modify
-mode multi"_comm_modify.html command for a communication option option
+mode multi"_comm_modify.html command for a communication option
 that may also be beneficial for simulations of this kind.
 
 The "neigh_modify"_neigh_modify.html command has additional options
diff --git a/doc/src/package.txt b/doc/src/package.txt
index c226d7942f2912c222ea91a69ec413e4742f2e0f..6a6d17bcbc61a031ff0e222e9747f2a4dd144c41 100644
--- a/doc/src/package.txt
+++ b/doc/src/package.txt
@@ -64,15 +64,18 @@ args = arguments specific to the style :l
       {no_affinity} values = none
   {kokkos} args = keyword value ...
     zero or more keyword/value pairs may be appended
-    keywords = {neigh} or {neigh/qeq} or {newton} or {binsize} or {comm} or {comm/exchange} or {comm/forward} or {comm/reverse}
+    keywords = {neigh} or {neigh/qeq} or {neigh/thread} or {newton} or {binsize} or {comm} or {comm/exchange} or {comm/forward} or {comm/reverse} or {gpu/direct}
       {neigh} value = {full} or {half}
         full = full neighbor list
         half = half neighbor list built in thread-safe manner
       {neigh/qeq} value = {full} or {half}
         full = full neighbor list
         half = half neighbor list built in thread-safe manner
+      {neigh/thread} value = {off} or {on}
+        off = thread only over atoms
+        on = thread over both atoms and neighbors
       {newton} = {off} or {on}
-        off = set Newton pairwise and bonded flags off (default)
+        off = set Newton pairwise and bonded flags off
         on = set Newton pairwise and bonded flags on
       {binsize} value = size
         size = bin size for neighbor list construction (distance units)
@@ -173,12 +176,10 @@ computation will be built.  If {neigh} is {yes}, which is the default,
 neighbor list building is performed on the GPU.  If {neigh} is {no},
 neighbor list building is performed on the CPU.  GPU neighbor list
 building currently cannot be used with a triclinic box.  GPU neighbor
-list calculation currently cannot be used with
-"hybrid"_pair_hybrid.html pair styles.  GPU neighbor lists are not
-compatible with commands that are not GPU-enabled.  When a non-GPU
-enabled command requires a neighbor list, it will also be built on the
-CPU.  In these cases, it will typically be more efficient to only use
-CPU neighbor list builds.
+lists are not compatible with commands that are not GPU-enabled.  When
+a non-GPU enabled command requires a neighbor list, it will also be
+built on the CPU.  In these cases, it will typically be more efficient
+to only use CPU neighbor list builds.
 
 The {newton} keyword sets the Newton flags for pairwise (not bonded)
 interactions to {off} or {on}, the same as the "newton"_newton.html
@@ -422,101 +423,116 @@ processes/threads used for LAMMPS.
 
 :line
 
-The {kokkos} style invokes settings associated with the use of the
-KOKKOS package.
-
-All of the settings are optional keyword/value pairs.  Each has a
-default value as listed below.
-
-The {neigh} keyword determines how neighbor lists are built.  A value
-of {half} uses a thread-safe variant of half-neighbor lists,
-the same as used by most pair styles in LAMMPS.
-
-A value of {full} uses a full neighbor lists and is the default.  This
-performs twice as much computation as the {half} option, however that
-is often a win because it is thread-safe and doesn't require atomic
-operations in the calculation of pair forces.  For that reason, {full}
-is the default setting.  However, when running in MPI-only mode with 1
-thread per MPI task, {half} neighbor lists will typically be faster,
-just as it is for non-accelerated pair styles. Similarly, the {neigh/qeq}
-keyword determines how neighbor lists are built for "fix qeq/reax/kk"_fix_qeq_reax.html.
-If not explicitly set, the value of {neigh/qeq} will match {neigh}.
-
-The {newton} keyword sets the Newton flags for pairwise and bonded
-interactions to {off} or {on}, the same as the "newton"_newton.html
-command allows.  The default is {off} because this will almost always
-give better performance for the KOKKOS package.  This means more
-computation is done, but less communication.  However, when running in
-MPI-only mode with 1 thread per MPI task, a value of {on} will
-typically be faster, just as it is for non-accelerated pair styles.
-
-The {binsize} keyword sets the size of bins used to bin atoms in
-neighbor list builds.  The same value can be set by the "neigh_modify
-binsize"_neigh_modify.html command.  Making it an option in the
-package kokkos command allows it to be set from the command line.  The
-default value is 0.0, which means the LAMMPS default will be used,
-which is bins = 1/2 the size of the pairwise cutoff + neighbor skin
-distance.  This is fine when neighbor lists are built on the CPU.  For
-GPU builds, a 2x larger binsize equal to the pairwise cutoff +
-neighbor skin, is often faster, which can be set by this keyword.
-Note that if you use a longer-than-usual pairwise cutoff, e.g. to
-allow for a smaller fraction of KSpace work with a "long-range
-Coulombic solver"_kspace_style.html because the GPU is faster at
-performing pairwise interactions, then this rule of thumb may give too
-large a binsize.
-
-The {comm} and {comm/exchange} and {comm/forward} and {comm/reverse} keywords determine
-whether the host or device performs the packing and unpacking of data
-when communicating per-atom data between processors.  "Exchange"
-communication happens only on timesteps that neighbor lists are
-rebuilt.  The data is only for atoms that migrate to new processors.
-"Forward" communication happens every timestep. "Reverse" communication
-happens every timestep if the {newton} option is on.  The data is for atom
-coordinates and any other atom properties that needs to be updated for
-ghost atoms owned by each processor.
-
-The {comm} keyword is simply a short-cut to set the same value
-for both the {comm/exchange} and {comm/forward} and {comm/reverse} keywords.
-
-The value options for all 3 keywords are {no} or {host} or {device}.
-A value of {no} means to use the standard non-KOKKOS method of
-packing/unpacking data for the communication.  A value of {host} means
-to use the host, typically a multi-core CPU, and perform the
-packing/unpacking in parallel with threads.  A value of {device}
-means to use the device, typically a GPU, to perform the
-packing/unpacking operation.
-
-The optimal choice for these keywords depends on the input script and
-the hardware used.  The {no} value is useful for verifying that the
-Kokkos-based {host} and {device} values are working correctly.
-It may also be the fastest choice when using Kokkos styles in
-MPI-only mode (i.e. with a thread count of 1).
-
-When running on CPUs or Xeon Phi, the {host} and {device} values work
-identically.  When using GPUs, the {device} value will typically be
-optimal if all of your styles used in your input script are supported
-by the KOKKOS package.  In this case data can stay on the GPU for many
-timesteps without being moved between the host and GPU, if you use the
-{device} value.  This requires that your MPI is able to access GPU
-memory directly.  Currently that is true for OpenMPI 1.8 (or later
-versions), Mvapich2 1.9 (or later), and CrayMPI.  If your script uses
-styles (e.g. fixes) which are not yet supported by the KOKKOS package,
-then data has to be move between the host and device anyway, so it is
-typically faster to let the host handle communication, by using the
-{host} value.  Using {host} instead of {no} will enable use of
-multiple threads to pack/unpack communicated data.
-
-The {gpu/direct} keyword chooses whether GPU-direct will be used. When
-this keyword is set to {on}, buffers in GPU memory are passed directly
-through MPI send/receive calls. This reduces overhead of first copying
-the data to the host CPU. However GPU-direct is not supported on all
-systems, which can lead to segmentation faults and would require
-using a value of {off}. If LAMMPS can safely detect that GPU-direct is
-not available (currently only possible with OpenMPI v2.0.0 or later),
-then the {gpu/direct} keyword is automatically set to {off} by default.
-When the {gpu/direct} keyword is set to {off} while any of the {comm}
-keywords are set to {device}, the value for these {comm} keywords will
-be automatically changed to {host}.
+The {kokkos} style invokes settings associated with the use of the 
+KOKKOS package. 
+
+All of the settings are optional keyword/value pairs. Each has a default 
+value as listed below. 
+
+The {neigh} keyword determines how neighbor lists are built. A value of 
+{half} uses a thread-safe variant of half-neighbor lists, the same as 
+used by most pair styles in LAMMPS, which is the default when running on 
+CPUs (i.e. the Kokkos CUDA back end is not enabled). 
+
+A value of {full} uses a full neighbor lists and is the default when 
+running on GPUs. This performs twice as much computation as the {half} 
+option, however that is often a win because it is thread-safe and 
+doesn't require atomic operations in the calculation of pair forces. For 
+that reason, {full} is the default setting for GPUs. However, when 
+running on CPUs, a {half} neighbor list is the default because it are 
+often faster, just as it is for non-accelerated pair styles. Similarly, 
+the {neigh/qeq} keyword determines how neighbor lists are built for "fix 
+qeq/reax/kk"_fix_qeq_reax.html. If not explicitly set, the value of 
+{neigh/qeq} will match {neigh}.
+
+If the {neigh/thread} keyword is set to {off}, then the KOKKOS package 
+threads only over atoms. However, for small systems, this may not expose 
+enough parallelism to keep a GPU busy. When this keyword is set to {on}, 
+the KOKKOS package threads over both atoms and neighbors of atoms. When 
+using {neigh/thread} {on}, a full neighbor list must also be used. Using 
+{neigh/thread} {on} may be slower for large systems, so this this option 
+is turned on by default only when there are 16K atoms or less owned by 
+an MPI rank and when using a full neighbor list. Not all KOKKOS-enabled 
+potentials support this keyword yet, and only thread over atoms. Many 
+simple pair-wise potentials such as Lennard-Jones do support threading 
+over both atoms and neighbors.
+
+The {newton} keyword sets the Newton flags for pairwise and bonded 
+interactions to {off} or {on}, the same as the "newton"_newton.html 
+command allows. The default for GPUs is {off} because this will almost 
+always give better performance for the KOKKOS package. This means more 
+computation is done, but less communication. However, when running on 
+CPUs a value of {on} is the default since it can often be faster, just 
+as it is for non-accelerated pair styles 
+
+The {binsize} keyword sets the size of bins used to bin atoms in 
+neighbor list builds. The same value can be set by the "neigh_modify 
+binsize"_neigh_modify.html command. Making it an option in the package 
+kokkos command allows it to be set from the command line. The default 
+value for CPUs is 0.0, which means the LAMMPS default will be used, 
+which is bins = 1/2 the size of the pairwise cutoff + neighbor skin 
+distance. This is fine when neighbor lists are built on the CPU. For GPU 
+builds, a 2x larger binsize equal to the pairwise cutoff + neighbor skin 
+is often faster, which is the default. Note that if you use a 
+longer-than-usual pairwise cutoff, e.g. to allow for a smaller fraction 
+of KSpace work with a "long-range Coulombic solver"_kspace_style.html 
+because the GPU is faster at performing pairwise interactions, then this 
+rule of thumb may give too large a binsize and the default should be 
+overridden with a smaller value. 
+
+The {comm} and {comm/exchange} and {comm/forward} and {comm/reverse} 
+keywords determine whether the host or device performs the packing and 
+unpacking of data when communicating per-atom data between processors. 
+"Exchange" communication happens only on timesteps that neighbor lists 
+are rebuilt. The data is only for atoms that migrate to new processors. 
+"Forward" communication happens every timestep. "Reverse" communication 
+happens every timestep if the {newton} option is on. The data is for 
+atom coordinates and any other atom properties that needs to be updated 
+for ghost atoms owned by each processor.
+
+The {comm} keyword is simply a short-cut to set the same value for both 
+the {comm/exchange} and {comm/forward} and {comm/reverse} keywords.
+
+The value options for all 3 keywords are {no} or {host} or {device}. A 
+value of {no} means to use the standard non-KOKKOS method of 
+packing/unpacking data for the communication. A value of {host} means to 
+use the host, typically a multi-core CPU, and perform the 
+packing/unpacking in parallel with threads. A value of {device} means to 
+use the device, typically a GPU, to perform the packing/unpacking 
+operation.
+
+The optimal choice for these keywords depends on the input script and 
+the hardware used. The {no} value is useful for verifying that the 
+Kokkos-based {host} and {device} values are working correctly. It is the 
+default when running on CPUs since it is usually the fastest.
+
+When running on CPUs or Xeon Phi, the {host} and {device} values work 
+identically. When using GPUs, the {device} value is the default since it 
+will typically be optimal if all of your styles used in your input 
+script are supported by the KOKKOS package. In this case data can stay 
+on the GPU for many timesteps without being moved between the host and 
+GPU, if you use the {device} value. If your script uses styles (e.g. 
+fixes) which are not yet supported by the KOKKOS package, then data has 
+to be move between the host and device anyway, so it is typically faster 
+to let the host handle communication, by using the {host} value. Using 
+{host} instead of {no} will enable use of multiple threads to 
+pack/unpack communicated data. When running small systems on a GPU, 
+performing the exchange pack/unpack on the host CPU can give speedup 
+since it reduces the number of CUDA kernel launches.
+
+The {gpu/direct} keyword chooses whether GPU-direct will be used. When 
+this keyword is set to {on}, buffers in GPU memory are passed directly 
+through MPI send/receive calls. This reduces overhead of first copying 
+the data to the host CPU. However GPU-direct is not supported on all 
+systems, which can lead to segmentation faults and would require using a 
+value of {off}. If LAMMPS can safely detect that GPU-direct is not 
+available (currently only possible with OpenMPI v2.0.0 or later), then 
+the {gpu/direct} keyword is automatically set to {off} by default. When 
+the {gpu/direct} keyword is set to {off} while any of the {comm} 
+keywords are set to {device}, the value for these {comm} keywords will 
+be automatically changed to {host}. This setting has no effect if not 
+running on GPUs. GPU-direct is available for OpenMPI 1.8 (or later 
+versions), Mvapich2 1.9 (or later), and CrayMPI.
 
 :line
 
@@ -620,17 +636,20 @@ except "omp" and "mode", are ignored if LAMMPS was not built with Xeon
 Phi co-processor support.  These settings are made automatically if the
 "-sf intel" "command-line switch"_Run_options.html is used.  If it is
 not used, you must invoke the package intel command in your input
-script or or via the "-pk intel" "command-line
+script or via the "-pk intel" "command-line
 switch"_Run_options.html.
 
-For the KOKKOS package, the option defaults neigh = full, neigh/qeq =
-full, newton = off, binsize = 0.0, and comm = device, gpu/direct = on.
-When LAMMPS can safely detect, that GPU-direct is not available, the
-default value of gpu/direct becomes "off".
-These settings are made automatically by the required "-k on"
-"command-line switch"_Run_options.html. You can change them by
-using the package kokkos command in your input script or via the
-"-pk kokkos command-line switch"_Run_options.html.
+For the KOKKOS package, the option defaults for GPUs are neigh = full, 
+neigh/qeq = full, newton = off, binsize for GPUs = 2x LAMMPS default 
+value, comm = device, gpu/direct = on. When LAMMPS can safely detect 
+that GPU-direct is not available, the default value of gpu/direct 
+becomes "off". For CPUs or Xeon Phis, the option defaults are neigh = 
+half, neigh/qeq = half, newton = on, binsize = 0.0, and comm = no. The 
+option neigh/thread = on when there are 16K atoms or less on an MPI 
+rank, otherwise it is "off". These settings are made automatically by 
+the required "-k on" "command-line switch"_Run_options.html. You can 
+change them by using the package kokkos command in your input script or 
+via the "-pk kokkos command-line switch"_Run_options.html.
 
 For the OMP package, the default is Nthreads = 0 and the option
 defaults are neigh = yes.  These settings are made automatically if
diff --git a/doc/src/pair_airebo.txt b/doc/src/pair_airebo.txt
index 3708fb287d5f83c5a30164d9b68a96ccdf508339..4956ba75756e04ea92f946db3157165c93aac124 100644
--- a/doc/src/pair_airebo.txt
+++ b/doc/src/pair_airebo.txt
@@ -36,7 +36,7 @@ pair_style airebo/morse 3.0
 pair_coeff * * ../potentials/CH.airebo-m H C :pre
 
 pair_style rebo
-pair_coeff * * ../potentials/CH.airebo H C :pre
+pair_coeff * * ../potentials/CH.rebo H C :pre
 
 [Description:]
 
@@ -57,7 +57,8 @@ The {rebo} pair style computes the Reactive Empirical Bond Order (REBO)
 Potential of "(Brenner)"_#Brenner. Note that this is the so-called
 2nd generation REBO from 2002, not the original REBO from 1990.
 As discussed below, 2nd generation REBO is closely related to the
-initial AIREBO; it is just a subset of the potential energy terms.
+initial AIREBO; it is just a subset of the potential energy terms
+with a few slightly different parameters
 
 The AIREBO potential consists of three terms:
 
@@ -113,12 +114,12 @@ various dihedral angle preferences in hydrocarbon configurations.
 :line
 
 Only a single pair_coeff command is used with the {airebo}, {airebo}
-or {rebo} style which specifies an AIREBO or AIREBO-M potential file
-with parameters for C and H.  Note that the {rebo} style in LAMMPS
-uses the same AIREBO-formatted potential file.  These are mapped to
-LAMMPS atom types by specifying N additional arguments after the
-filename in the pair_coeff command, where N is the number of LAMMPS
-atom types:
+or {rebo} style which specifies an AIREBO, REBO, or AIREBO-M potential
+file with parameters for C and H.  Note that as of LAMMPS version
+15 May 2019 the {rebo} style in LAMMPS uses its own potential
+file (CH.rebo).  These are mapped to LAMMPS atom types by specifying
+N additional arguments after the filename in the pair_coeff command,
+where N is the number of LAMMPS atom types:
 
 filename
 N element names = mapping of AIREBO elements to atom types :ul
diff --git a/doc/src/pair_class2.txt b/doc/src/pair_class2.txt
index 8d4aa486026070124ffee6077bd0b1f3113a3f62..9e25560071bd6a78b654921d574c6dc4489c9ad0 100644
--- a/doc/src/pair_class2.txt
+++ b/doc/src/pair_class2.txt
@@ -155,9 +155,12 @@ All of the lj/class2 pair styles write their information to "binary
 restart files"_restart.html, so pair_style and pair_coeff commands do
 not need to be specified in an input script that reads a restart file.
 
-All of the lj/class2 pair styles can only be used via the {pair}
-keyword of the "run_style respa"_run_style.html command.  They do not
-support the {inner}, {middle}, {outer} keywords.
+Only the {lj/class2} and {lj/class2/coul/long} pair styles support the use of the
+{inner}, {middle}, and {outer} keywords of the "run_style
+respa"_run_style.html command, meaning the pairwise forces can be
+partitioned by distance at different levels of the rRESPA hierarchy.
+The other styles only support the {pair} keyword of run_style respa.
+See the "run_style"_run_style.html command for details.
 
 [Restrictions:]
 
diff --git a/doc/src/pair_drip.txt b/doc/src/pair_drip.txt
new file mode 100644
index 0000000000000000000000000000000000000000..84c92b04e41214a7fecdb0478eaa2726d4d6bc42
--- /dev/null
+++ b/doc/src/pair_drip.txt
@@ -0,0 +1,141 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+pair_style drip command :h3
+
+[Syntax:]
+
+pair_style hybrid/overlay drip \[styles ...\] :pre
+
+styles = other styles to be overlayed with drip (optional) :ul
+
+[Examples:]
+
+pair_style hybrid/overlay drip
+pair_coeff * * none
+pair_coeff * * drip  C.drip  C :pre
+
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C
+pair_coeff * * rebo  CH.airebo  C :pre
+
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C NULL
+pair_coeff * * rebo  CH.airebo  C H :pre
+
+
+[Description:]
+
+Style {drip} computes the interlayer interactions of layered materials using
+the dihedral-angle-corrected registry-dependent (DRIP) potential as described
+in "(Wen)"_#Wen2018, which is based on the "(Kolmogorov)"_#Kolmogorov2005
+potential and provides an improved prediction for forces.
+The total potential energy of a system is
+
+:c,image(Eqs/pair_drip.jpg)
+
+where the {r^-6} term models the attractive London dispersion,
+the exponential term is designed to capture the registry effect due to
+overlapping {pi} bonds, and {fc} is a cutoff function.
+
+
+This potential (DRIP) only provides the interlayer interactions between
+graphene layers. So, to perform a realistic simulation, it should be used in
+combination with an intralayer potential such as "REBO"_pair_airebo.html and
+"Tersoff"_pair_tersoff.html.
+To keep the intralayer interactions unaffected, we should avoid applying DRIP
+to contribute energy to intralayer interactions. This can be achieved by
+assigning different molecular IDs to atoms in different layers, and DRIP is
+implemented such that only atoms with different molecular ID can interact with
+each other. For this purpose, "atom style"_atom_style.html "molecular" or
+"full" has to be used.
+
+On the other way around, "REBO"_pair_airebo.html ("Tersoff"_pair_tersoff.html
+or any other potential used to provide the intralayer interactions) should not
+interfere with the interlayer interactions described by DRIP. This is typically
+automatically achieved using the commands provided in the {Examples} section
+above, since the cutoff distance for carbon-carbon interaction in the intralayer
+potentials (e.g. 2 Angstrom for "REBO"_pair_airebo.html) is much smaller than
+the equilibrium layer distance of graphene layers (about 3.4 Angstrom).
+If you want, you can enforce this by assigning different atom types to atoms in
+different layers, and apply an intralayer potential to one atom type.
+See "pair_hybrid"_pair_hybrid.html for details.
+
+:line
+
+The "pair_coeff"_pair_coeff.html command for DRIP takes {4+N} arguments, where
+{N} is the number of LAMMPS atom types. The fist three arguments must be fixed
+to be {* * drip}, the fourth argument is the path to the DRIP parameter file,
+and the remaining N arguments specifying the mapping between element in the
+parameter file and atom types. For example, if your LAMMPS simulation has 3 atom
+types and you want all of them to be C, you would use the following pair_coeff
+command:
+
+pair_coeff * * drip  C.drip  C C C :pre
+
+If a mapping value is specified as NULL, the mapping is not performed. This
+could be useful when DRIP is used to model part of the system where other
+element exists. Suppose you have a hydrocarbon system, with C of atom type 1
+and H of atom type 2, you can use the following command to inform DRIP not to
+model H atoms:
+
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C NULL
+pair_coeff * * rebo  CH.airebo  C H :pre
+
+NOTE: The potential parameters developed in "(Wen)"_#Wen2018 are provided with
+LAMMPS (see the "potentials" directory). Besides those in "Wen"_#Wen2018, an
+additional parameter "normal_cutoff", specific to the LAMMPS implementation, is
+used to find the three nearest neighbors of an atom to construct the normal.
+
+
+:line
+
+[Mixing, shift, table, tail correction, and restart info]:
+
+This pair style does not support the pair_modify mix, shift, table,
+and tail options.
+
+This pair style does not write their information to binary restart files, since
+it is stored in potential files. Thus, you need to re-specify the pair_style and
+pair_coeff commands in an input script that reads a restart file.
+
+[Restrictions:]
+
+This pair style is part of the USER-MISC package. It is only enabled if LAMMPS
+was built with that package.  See the "Build package"_Build_package.html doc
+page for more info.
+
+This pair potential requires the "newton"_newton.html setting to be "on" for
+pair interactions.
+
+
+The {C.drip} parameter file provided with LAMMPS (see the "potentials"
+directory) is parameterized for metal "units"_units.html. You can use the DRIP
+potential with any LAMMPS units, but you would need to create your own custom
+parameter file with coefficients listed in the appropriate units, if your
+simulation doesn't use "metal" units.
+
+
+[Related commands:]
+
+"pair_style lebedeva_z"_pair_lebedeva_z.html,
+"pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html,
+"pair_style kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html,
+"pair_style ilp/graphene/hbn"_pair_ilp_graphene_hbn.html.
+
+
+:line
+
+:link(Wen2018)
+[(Wen)] M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor, Phys. Rev. B,
+98, 235404 (2018)
+
+:link(Kolmogorov2005)
+[(Kolmogorov)] A. N. Kolmogorov, V. H. Crespi, Phys. Rev. B 71, 235415 (2005)
+
diff --git a/doc/src/pair_e3b.txt b/doc/src/pair_e3b.txt
new file mode 100644
index 0000000000000000000000000000000000000000..6d1f992ca15f33aab81c28c0e954f9723207e0d5
--- /dev/null
+++ b/doc/src/pair_e3b.txt
@@ -0,0 +1,140 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+pair_style e3b command :h3
+
+[Syntax:]
+
+pair_style e3b Otype :pre
+Otype = atom type for oxygen :l
+
+pair_coeff * * keyword :pre
+one or more keyword/value pairs must be appended. :l
+keyword = {preset} or {Ea} or {Eb} or {Ec} or {E2} or {K3} or {K2} or {Rs} or {Rc3} or {Rc2} or {bondL} or {neigh} :l
+If the {preset} keyword is given, no others are needed.
+Otherwise, all are mandatory except for {neigh}.
+The {neigh} keyword is always optional. :l
+  {preset} arg = {2011} or {2015} = which set of predefined parameters to use
+  	   2011 = use the potential parameters from "(Tainter 2011)"_#Tainter2011
+  	   2015 = use the potential parameters from "(Tainter 2015)"_#Tainter2015
+  {Ea} arg = three-body energy for type A hydrogen bonding interactions (energy units)
+  {Eb} arg = three-body energy for type B hydrogen bonding interactions (energy units)
+  {Ec} arg = three-body energy for type C hydrogen bonding interactions (energy units)
+  {E2} arg = two-body energy correction (energy units)
+  {K3} arg = three-body exponential constant (inverse distance units)
+  {K2} arg = two-body exponential constant (inverse distance units)
+  {Rc3} arg = three-body cutoff (distance units)
+  {Rc2} arg = two-body cutoff (distance units)
+  {Rs} arg = three-body switching function cutoff (distance units)
+  {bondL} arg = intramolecular OH bond length (distance units)
+  {neigh} arg = approximate integer number of molecules within Rc3 of an oxygen atom :pre
+
+[Examples:]
+
+pair_style e3b 1
+pair_coeff * * Ea 35.85 Eb -240.2 Ec 449.3 E2 108269.9 K3 1.907 K2 4.872 Rc3 5.2 Rc2 5.2 Rs 5.0 bondL 0.9572 :pre
+
+pair_style hybrid/overlay e3b 1 lj/cut/tip4p/long 1 2 1 1 0.15 8.5
+pair_coeff * * e3b preset 2011 :pre
+
+[Description:]
+
+The {e3b} style computes an \"explicit three-body\" (E3B) potential for water "(Kumar 2008)"_#Kumar.
+
+:c,image(Eqs/e3b.jpg)
+
+This potential was developed as a water model that includes the three-body cooperativity of hydrogen bonding explicitly.
+To use it in this way, it must be applied in conjunction with a conventional two-body water model, through {pair_style hybrid/overlay}.
+The three body interactions are split into three types: A, B, and C.
+Type A corresponds to anti-cooperative double hydrogen bond donor interactions.
+Type B corresponds to the cooperative interaction of molecules that both donate and accept a hydrogen bond.
+Type C corresponds to anti-cooperative double hydrogen bond acceptor interactions.
+The three-body interactions are smoothly cutoff by the switching function s(r) between Rs and Rc3.
+The two-body interactions are designed to correct for the effective many-body interactions implicitly included in the conventional two-body potential.
+The two-body interactions are cut off sharply at Rc2, because K3 is typically significantly smaller than K2.
+See "(Kumar 2008)"_#Kumar for more details.
+
+Only a single {pair_coeff} command is used with the {e3b} style.
+The 1st two arguments must be * *.
+The oxygen atom type for the pair style is passed as the only argument to the {pair_style} command, not in the {pair_coeff} command.
+The hydrogen atom type is inferred by the ordering of the atoms.
+
+NOTE: Every atom of type Otype must be part of a water molecule.
+Each water molecule must have consecutive IDs with the oxygen first.
+This pair style does not test that this criteria is met.
+
+The {pair_coeff} command must have at least one keyword/value pair, as described above.
+The {preset} keyword sets the potential parameters to the values used in "(Tainter 2011)"_#Tainter2011 or "(Tainter 2015)"_#Tainter2015.
+To use the water models defined in those references, the {e3b} style should always be used in conjunction with an {lj/cut/tip4p/long} style through {pair_style hybrid/overlay}, as demonstrated in the second example above.
+The {preset 2011} option should be used with the "TIP4P water model"_Howto_tip4p.html.
+The {preset 2015} option should be used with the "TIP4P/2005 water model"_Howto_tip4p.html.
+If the {preset} keyword is used, no other keyword is needed.
+Changes to the preset parameters can be made by specifying the {preset} keyword followed by the specific parameter to change, like {Ea}.
+Note that the other keywords must come after {preset} in the pair_style command.
+The {e3b} style can also be used to implement any three-body potential of the same form by specifying all the keywords except {neigh}: {Ea}, {Eb}, {Ec}, {E2}, {K3}, {K2}, {Rc3}, {Rc2}, {Rs}, and {bondL}.
+The keyword {bondL} specifies the intramolecular OH bond length of the water model being used.
+This is needed to include H atoms that are within the cutoff even when the attached oxygen atom is not.
+
+This pair style allocates arrays sized according to the number of pairwise interactions within Rc3.
+To do this it needs an estimate for the number of water molecules within Rc3 of an oxygen atom.
+This estimate defaults to 10 and can be changed using the {neigh} keyword, which takes an integer as an argument.
+If the neigh setting is too small, the simulation will fail with the error "neigh is too small".
+If the neigh setting is too large, the pair style will use more memory than necessary.
+
+This pair style tallies a breakdown of the total E3B potential energy into sub-categories, which can be accessed via the "compute pair"_compute_pair.html command as a vector of values of length 4.
+The 4 values correspond to the terms in the first equation above: the E2 term, the Ea term, the Eb term, and the Ec term.
+
+See the examples/USER/e3b directory for a complete example script.
+
+:line
+
+[Mixing, shift, table, tail correction, restart, rRESPA info]:
+
+This pair style does not support the "pair_modify"_pair_modify.html
+shift, table, and tail options.
+
+This pair style does not write its information to "binary restart
+files"_restart.html.  Thus, you
+need to re-specify the pair_style and pair_coeff commands in an input
+script that reads a restart file.
+
+This pair style is incompatible with "respa"_run_style.html.
+
+:line
+
+[Restrictions:]
+
+This pair style is part of the USER-MISC package.  It is only enabled
+if LAMMPS was built with that package.  See the "Build
+package"_Build_package.html doc page for more info.
+
+This pair style requires the "newton"_newton.html setting to be "on"
+for pair interactions.
+
+This pair style requires a fixed number of atoms in the simulation, so it is incompatible with fixes like "fix deposit"_fix_deposit.html.
+If the number of atoms changes between runs, this pair style must be re-initialized by calling the {pair_style} and {pair_coeffs} commands.
+This is not a fundamental limitation of the pair style, but the code currently does not support a variable number of atoms.
+
+The {preset} keyword currently only works with real, metal, si, and cgs "units"_units.html.
+
+[Related commands:]
+
+"pair_coeff"_pair_coeff.html, "compute pair"_compute_pair.html
+
+[Default:]
+
+The option default for the {neigh} keyword is 10.
+
+:line
+
+:link(Kumar)
+[(Kumar)] Kumar and Skinner, J. Phys. Chem. B, 112, 8311 (2008)
+:link(Tainter2011)
+[(Tainter 2011)] Tainter, Pieniazek, Lin, and Skinner, J. Chem. Phys., 134, 184501 (2011)
+:link(Tainter2015)
+[(Tainter 2015)] Tainter, Shi, and Skinner, 11, 2268 (2015)
diff --git a/doc/src/pair_fep_soft.txt b/doc/src/pair_fep_soft.txt
index d5e848cd1e86d6afde83c49a7d565ba857529b39..0cf2519c73589b9aa9d7a6722477f0f6e3335d6f 100644
--- a/doc/src/pair_fep_soft.txt
+++ b/doc/src/pair_fep_soft.txt
@@ -201,7 +201,7 @@ model. The usage of the TIP4P pair style is documented in the
 "pair_lj"_pair_lj.html styles. In the soft version the parameters n, alpha_LJ
 and alpha_C are set in the "pair_style"_pair_style.html command, after the
 specific parameters of the TIP4P water model and before the cutoffs. The
-activation parameter lambda is supplied as an argument of the the
+activation parameter lambda is supplied as an argument of the
 "pair_coeff"_pair_coeff.html command, after epsilon and sigma and before the
 optional cutoffs.
 
@@ -210,7 +210,7 @@ Style {lj/charmm/coul/long/soft} implements a soft-core version of the modified
 "pair_lj_charmm"_pair_charmm.html style. In the soft version the parameters n,
 alpha_LJ and alpha_C are set in the "pair_style"_pair_style.html command, before
 the global cutoffs. The activation parameter lambda is introduced as an argument
-of the the "pair_coeff"_pair_coeff.html command, after epsilon and sigma and
+of the "pair_coeff"_pair_coeff.html command, after epsilon and sigma and
 before the optional eps14 and sigma14.
 
 Style {lj/class2/soft} implements a soft-core version of the 9-6 potential in
diff --git a/doc/src/pair_granular.txt b/doc/src/pair_granular.txt
new file mode 100644
index 0000000000000000000000000000000000000000..f16cd9fe0bbfdf623021e3d85ea032aaeac02888
--- /dev/null
+++ b/doc/src/pair_granular.txt
@@ -0,0 +1,793 @@
+<script type="text/javascript"
+  src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
+</script>
+<script type="text/x-mathjax-config">
+  MathJax.Hub.Config({ TeX: { equationNumbers: {autoNumber: "AMS"} } });
+</script>
+
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+pair_style granular command :h3
+
+[Syntax:]
+
+pair_style granular cutoff :pre
+
+cutoff = global cutoff (optional).  See discussion below. :ul
+
+[Examples:]
+
+pair_style granular
+pair_coeff * * hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping mass_velocity :pre
+
+pair_style granular
+pair_coeff * * hooke 1000.0 50.0 tangential linear_history 500.0 1.0 0.4 damping mass_velocity :pre
+
+pair_style granular
+pair_coeff * * hertz 1000.0 50.0 tangential mindlin 1000.0 1.0 0.4 :pre
+
+pair_style granular
+pair_coeff * * hertz/material 1e8 0.3 0.3 tangential mindlin_rescale NULL 1.0 0.4 damping tsuji :pre
+
+pair_style granular
+pair_coeff 1 * jkr 1000.0 500.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
+pair_coeff 2 2 hertz 200.0 100.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall :pre
+
+pair_style granular
+pair_coeff 1 1 dmt 1000.0 50.0 0.3 0.0 tangential mindlin NULL 0.5 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
+pair_coeff 2 2 dmt 1000.0 50.0 0.3 10.0 tangential mindlin NULL 0.5 0.1 rolling sds 500.0 200.0 0.1 twisting marshall :pre
+
+[Description:]
+
+The {granular} styles support a variety of options for the normal,
+tangential, rolling and twisting forces resulting from contact between
+two granular particles. This expands on the options offered by the
+"pair gran/*"_pair_gran.html pair styles. The total computed forces
+and torques are the sum of various models selected for the normal,
+tangential, rolling and twisting modes of motion.
+
+All model choices and parameters are entered in the
+"pair_coeff"_pair_coeff.html command, as described below.  Unlike
+e.g. "pair gran/hooke"_pair_gran.html, coefficient values are not
+global, but can be set to different values for different combinations
+of particle types, as determined by the "pair_coeff"_pair_coeff.html
+command.  If the contact model choice is the same for two particle
+types, the mixing for the cross-coefficients can be carried out
+automatically. This is shown in the last example, where model
+choices are the same for type 1 - type 1 as for type 2 - type2
+interactions, but coefficients are different. In this case, the
+mixed coefficients for type 1 - type 2 interactions can be determined from
+mixing rules discussed below.  For additional flexibility,
+coefficients as well as model forms can vary between particle types,
+as shown in the fourth example: type 1 - type 1 interactions are based
+on a Johnson-Kendall-Roberts normal contact model and 2-2 interactions
+are based on a DMT cohesive model (see below).  In that example, 1-1
+and 2-2 interactions have different model forms, in which case mixing of
+coefficients cannot be determined, so 1-2 interactions must be
+explicitly defined via the {pair_coeff 1 *} command, otherwise an
+error would result.
+
+:line
+
+The first required keyword for the {pair_coeff} command is the normal
+contact model. Currently supported options for normal contact models
+and their required arguments are:
+
+{hooke} : \(k_n\), \(\eta_\{n0\}\) (or \(e\))
+{hertz} : \(k_n\), \(\eta_\{n0\}\) (or \(e\))
+{hertz/material} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\)
+{dmt} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\), \(\gamma\)
+{jkr} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\), \(\gamma\) :ol
+
+Here, \(k_n\) is spring stiffness (with units that depend on model
+choice, see below); \(\eta_\{n0\}\) is a damping prefactor (or, in its
+place a coefficient of restitution \(e\), depending on the choice of
+damping mode, see below); E is Young's modulus in units of
+{force}/{length}^2, i.e. {pressure}; \(\nu\) is Poisson's ratio and
+\(\gamma\) is a surface energy density, in units of
+{energy}/{length}^2.
+
+For the {hooke} model, the normal, elastic component of force acting
+on particle {i} due to contact with particle {j} is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_\{ne, Hooke\} = k_N \delta_\{ij\} \mathbf\{n\}
+\end\{equation\}
+
+Where \(\delta = R_i + R_j - \|\mathbf\{r\}_\{ij\}\|\) is the particle
+overlap, \(R_i, R_j\) are the particle radii, \(\mathbf\{r\}_\{ij\} =
+\mathbf\{r\}_i - \mathbf\{r\}_j\) is the vector separating the two
+particle centers (note the i-j ordering so that \(F_\{ne\}\) is
+positive for repulsion), and \(\mathbf\{n\} =
+\frac\{\mathbf\{r\}_\{ij\}\}\{\|\mathbf\{r\}_\{ij\}\|\}\).  Therefore,
+for {hooke}, the units of the spring constant \(k_n\) are
+{force}/{distance}, or equivalently {mass}/{time^2}.
+
+For the {hertz} model, the normal component of force is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_\{ne, Hertz\} = k_N R_\{eff\}^\{1/2\}\delta_\{ij\}^\{3/2\} \mathbf\{n\}
+\end\{equation\}
+
+Here, \(R_\{eff\} = \frac\{R_i R_j\}\{R_i + R_j\}\) is the effective
+radius, denoted for simplicity as {R} from here on.  For {hertz}, the
+units of the spring constant \(k_n\) are {force}/{length}^2, or
+equivalently {pressure}.
+
+For the {hertz/material} model, the force is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_\{ne, Hertz/material\} = \frac\{4\}\{3\} E_\{eff\} R_\{eff\}^\{1/2\}\delta_\{ij\}^\{3/2\} \mathbf\{n\}
+\end\{equation\}
+
+Here, \(E_\{eff\} = E = \left(\frac\{1-\nu_i^2\}\{E_i\} +
+\frac\{1-\nu_j^2\}\{E_j\}\right)^\{-1\}\) is the effective Young's
+modulus, with \(\nu_i, \nu_j \) the Poisson ratios of the particles of
+types {i} and {j}. Note that if the elastic modulus and the shear
+modulus of the two particles are the same, the {hertz/material} model
+is equivalent to the {hertz} model with \(k_N = 4/3 E_\{eff\}\)
+
+The {dmt} model corresponds to the
+"(Derjaguin-Muller-Toporov)"_#DMT1975 cohesive model, where the force
+is simply Hertz with an additional attractive cohesion term:
+
+\begin\{equation\}
+\mathbf\{F\}_\{ne, dmt\} = \left(\frac\{4\}\{3\} E R^\{1/2\}\delta_\{ij\}^\{3/2\} - 4\pi\gamma R\right)\mathbf\{n\}
+\end\{equation\}
+
+The {jkr} model is the "(Johnson-Kendall-Roberts)"_#JKR1971 model,
+where the force is computed as:
+
+\begin\{equation\}
+\label\{eq:force_jkr\}
+\mathbf\{F\}_\{ne, jkr\} = \left(\frac\{4Ea^3\}\{3R\} - 2\pi a^2\sqrt\{\frac\{4\gamma E\}\{\pi a\}\}\right)\mathbf\{n\}
+\end\{equation\}
+
+Here, {a} is the radius of the contact zone, related to the overlap
+\(\delta\) according to:
+
+\begin\{equation\}
+\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}
+\end\{equation\}
+
+LAMMPS internally inverts the equation above to solve for {a} in terms
+of \(\delta\), then solves for the force in the previous
+equation. Additionally, note that the JKR model allows for a tensile
+force beyond contact (i.e. for \(\delta < 0\)), up to a maximum of
+\(3\pi\gamma R\) (also known as the 'pull-off' force).  Note that this
+is a hysteretic effect, where particles that are not contacting
+initially will not experience force until they come into contact
+\(\delta \geq 0\); as they move apart and (\(\delta < 0\)), they
+experience a tensile force up to \(3\pi\gamma R\), at which point they
+lose contact.
+
+:line
+
+In addition, the normal force is augmented by a damping term of the
+following general form:
+
+\begin\{equation\}
+\mathbf\{F\}_\{n,damp\} = -\eta_n \mathbf\{v\}_\{n,rel\}
+\end\{equation\}
+
+Here, \(\mathbf\{v\}_\{n,rel\} = (\mathbf\{v\}_j - \mathbf\{v\}_i)
+\cdot \mathbf\{n\}\) is the component of relative velocity along
+\(\mathbf\{n\}\).
+
+The optional {damping} keyword to the {pair_coeff} command followed by
+a keyword determines the model form of the damping factor \(\eta_n\),
+and the interpretation of the \(\eta_\{n0\}\) or \(e\) coefficients
+specified as part of the normal contact model settings. The {damping}
+keyword and corresponding model form selection may be appended
+anywhere in the {pair coeff} command.  Note that the choice of damping
+model affects both the normal and tangential damping (and depending on
+other settings, potentially also the twisting damping).  The options
+for the damping model currently supported are:
+
+{velocity}
+{mass_velocity}
+{viscoelastic}
+{tsuji} :ol
+
+If the {damping} keyword is not specified, the {viscoelastic} model is
+used by default.
+
+For {damping velocity}, the normal damping is simply equal to the
+user-specified damping coefficient in the {normal} model:
+
+\begin\{equation\}
+\eta_n = \eta_\{n0\}
+\end\{equation\}
+
+Here, \(\eta_\{n0\}\) is the damping coefficient specified for the normal
+contact model, in units of {mass}/{time}.
+
+For {damping mass_velocity}, the normal damping is given by:
+
+\begin\{equation\}
+\eta_n = \eta_\{n0\} m_\{eff\}
+\end\{equation\}
+
+Here, \(\eta_\{n0\}\) is the damping coefficient specified for the normal
+contact model, in units of {mass}/{time} and
+\(m_\{eff\} = m_i m_j/(m_i + m_j)\) is the effective mass.
+Use {damping mass_velocity} to reproduce the damping behavior of
+{pair gran/hooke/*}.
+
+The {damping viscoelastic} model is based on the viscoelastic
+treatment of "(Brilliantov et al)"_#Brill1996, where the normal
+damping is given by:
+
+\begin\{equation\}
+\eta_n = \eta_\{n0\}\ a m_\{eff\}
+\end\{equation\}
+
+Here, {a} is the contact radius, given by \(a =\sqrt\{R\delta\}\)
+for all models except {jkr}, for which it is given implicitly according
+to \(\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}\).  For {damping viscoelastic},
+\(\eta_\{n0\}\) is in units of 1/({time}*{distance}).
+
+The {tsuji} model is based on the work of "(Tsuji et
+al)"_#Tsuji1992. Here, the damping coefficient specified as part of
+the normal model is interpreted as a restitution coefficient
+\(e\). The damping constant \(\eta_n\) is given by:
+
+\begin\{equation\}
+\eta_n = \alpha (m_\{eff\}k_n)^\{1/2\}
+\end\{equation\}
+
+For normal contact models based on material parameters, \(k_n =
+4/3Ea\).  The parameter \(\alpha\) is related to the restitution
+coefficient {e} according to:
+
+\begin\{equation\}
+\alpha = 1.2728-4.2783e+11.087e^2-22.348e^3+27.467e^4-18.022e^5+4.8218e^6
+\end\{equation\}
+
+The dimensionless coefficient of restitution \(e\) specified as part
+of the normal contact model parameters should be between 0 and 1, but
+no error check is performed on this.
+
+The total normal force is computed as the sum of the elastic and
+damping components:
+
+\begin\{equation\}
+\mathbf\{F\}_n = \mathbf\{F\}_\{ne\} + \mathbf\{F\}_\{n,damp\}
+\end\{equation\}
+
+ :line
+
+The {pair_coeff} command also requires specification of the tangential
+contact model. The required keyword {tangential} is expected, followed
+by the model choice and associated parameters. Currently supported
+tangential model choices and their expected parameters are as follows:
+
+{linear_nohistory} : \(x_\{\gamma,t\}\), \(\mu_s\)
+{linear_history} : \(k_t\), \(x_\{\gamma,t\}\), \(\mu_s\)
+{mindlin} : \(k_t\) or NULL, \(x_\{\gamma,t\}\), \(\mu_s\)
+{mindlin_rescale} : \(k_t\) or NULL, \(x_\{\gamma,t\}\), \(\mu_s\) :ol
+
+Here, \(x_\{\gamma,t\}\) is a dimensionless multiplier for the normal
+damping \(\eta_n\) that determines the magnitude of the tangential
+damping, \(\mu_t\) is the tangential (or sliding) friction
+coefficient, and \(k_t\) is the tangential stiffness coefficient.
+
+For {tangential linear_nohistory}, a simple velocity-dependent Coulomb
+friction criterion is used, which mimics the behavior of the {pair
+gran/hooke} style. The tangential force (\mathbf\{F\}_t\) is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|\mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
+\end\{equation\}
+
+The tangential damping force \(\mathbf\{F\}_\mathrm\{t,damp\}\) is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_\mathrm\{t,damp\} = -\eta_t \mathbf\{v\}_\{t,rel\}
+\end\{equation\}
+
+The tangential damping prefactor \(\eta_t\) is calculated by scaling
+the normal damping \(\eta_n\) (see above):
+
+\begin\{equation\}
+\eta_t = -x_\{\gamma,t\} \eta_n
+\end\{equation\}
+
+The normal damping prefactor \(\eta_n\) is determined by the choice of
+the {damping} keyword, as discussed above.  Thus, the {damping}
+keyword also affects the tangential damping.  The parameter
+\(x_\{\gamma,t\}\) is a scaling coefficient. Several works in the
+literature use \(x_\{\gamma,t\} = 1\) ("Marshall"_#Marshall2009,
+"Tsuji et al"_#Tsuji1992, "Silbert et al"_#Silbert2001).  The relative
+tangential velocity at the point of contact is given by
+\(\mathbf\{v\}_\{t, rel\} = \mathbf\{v\}_\{t\} - (R_i\Omega_i +
+R_j\Omega_j) \times \mathbf\{n\}\), where \(\mathbf\{v\}_\{t\} =
+\mathbf\{v\}_r - \mathbf\{v\}_r\cdot\mathbf\{n\}\), \(\mathbf\{v\}_r =
+\mathbf\{v\}_j - \mathbf\{v\}_i\). The direction of the applied force
+is \(\mathbf\{t\} =
+\mathbf\{v_\{t,rel\}\}/\|\mathbf\{v_\{t,rel\}\}\|\).
+
+The normal force value \(F_\{n0\}\) used to compute the critical force
+depends on the form of the contact model. For non-cohesive models
+({hertz}, {hertz/material}, {hooke}), it is given by the magnitude of
+the normal force:
+
+\begin\{equation\}
+F_\{n0\} = \|\mathbf\{F\}_n\|
+\end\{equation\}
+
+For cohesive models such as {jkr} and {dmt}, the critical force is
+adjusted so that the critical tangential force approaches \(\mu_t
+F_\{pulloff\}\), see "Marshall"_#Marshall2009, equation 43, and
+"Thornton"_#Thornton1991.  For both models, \(F_\{n0\}\) takes the
+form:
+
+\begin\{equation\}
+F_\{n0\} = \|\mathbf\{F\}_ne + 2 F_\{pulloff\}\|
+\end\{equation\}
+
+Where \(F_\{pulloff\} = 3\pi \gamma R \) for {jkr}, and
+\(F_\{pulloff\} = 4\pi \gamma R \) for {dmt}.
+
+The remaining tangential options all use accumulated tangential
+displacement (i.e. contact history). This is discussed below in the
+context of the {linear_history} option, but the same treatment of the
+accumulated displacement applies to the other options as well.
+
+For {tangential linear_history}, the tangential force is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|-k_t\mathbf\{\xi\} + \mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
+\end\{equation\}
+
+Here, \(\mathbf\{\xi\}\) is the tangential displacement accumulated
+during the entire duration of the contact:
+
+\begin\{equation\}
+\mathbf\{\xi\} = \int_\{t0\}^t \mathbf\{v\}_\{t,rel\}(\tau) \mathrm\{d\}\tau
+\end\{equation\}
+
+This accumulated tangential displacement must be adjusted to account
+for changes in the frame of reference of the contacting pair of
+particles during contact. This occurs due to the overall motion of the
+contacting particles in a rigid-body-like fashion during the duration
+of the contact. There are two modes of motion that are relevant: the
+'tumbling' rotation of the contacting pair, which changes the
+orientation of the plane in which tangential displacement occurs; and
+'spinning' rotation of the contacting pair about the vector connecting
+their centers of mass (\(\mathbf\{n\}\)).  Corrections due to the
+former mode of motion are made by rotating the accumulated
+displacement into the plane that is tangential to the contact vector
+at each step, or equivalently removing any component of the tangential
+displacement that lies along \(\mathbf\{n\}\), and rescaling to
+preserve the magnitude.  This follows the discussion in
+"Luding"_#Luding2008, see equation 17 and relevant discussion in that
+work:
+
+\begin\{equation\}
+\mathbf\{\xi\} = \left(\mathbf\{\xi'\} - (\mathbf\{n\} \cdot \mathbf\{\xi'\})\mathbf\{n\}\right) \frac\{\|\mathbf\{\xi'\}\|\}\{\|\mathbf\{\xi'\}\| - \mathbf\{n\}\cdot\mathbf\{\xi'\}\}
+\label\{eq:rotate_displacements\}
+\end\{equation\}
+
+Here, \(\mathbf\{\xi'\}\) is the accumulated displacement prior to the
+current time step and \(\mathbf\{\xi\}\) is the corrected
+displacement. Corrections to the displacement due to the second mode
+of motion described above (rotations about \(\mathbf\{n\}\)) are not
+currently implemented, but are expected to be minor for most
+simulations.
+
+Furthermore, when the tangential force exceeds the critical force, the
+tangential displacement is re-scaled to match the value for the
+critical force (see "Luding"_#Luding2008, equation 20 and related
+discussion):
+
+\begin\{equation\}
+\mathbf\{\xi\} = -\frac\{1\}\{k_t\}\left(\mu_t F_\{n0\}\mathbf\{t\} + \mathbf\{F\}_\{t,damp\}\right)
+\end\{equation\}
+
+The tangential force is added to the total normal force (elastic plus
+damping) to produce the total force on the particle. The tangential
+force also acts at the contact point (defined as the center of the
+overlap region) to induce a torque on each particle according to:
+
+\begin\{equation\}
+\mathbf\{\tau\}_i = -(R_i - 0.5 \delta) \mathbf\{n\} \times \mathbf\{F\}_t
+\end\{equation\}
+
+\begin\{equation\}
+\mathbf\{\tau\}_j = -(R_j - 0.5 \delta) \mathbf\{n\} \times \mathbf\{F\}_t
+\end\{equation\}
+
+For {tangential mindlin}, the "Mindlin"_#Mindlin1949 no-slip solution is used, which differs from the {linear_history}
+option by an additional factor of {a}, the radius of the contact region. The tangential force is given by:
+
+\begin\{equation\}
+\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|-k_t a \mathbf\{\xi\} + \mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
+\end\{equation\}
+
+Here, {a} is the radius of the contact region, given by \(a = \delta
+R\) for all normal contact models, except for {jkr}, where it is given
+implicitly by \(\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}\), see
+discussion above. To match the Mindlin solution, one should set \(k_t
+= 8G\), where \(G\) is the shear modulus, related to Young's modulus
+\(E\) by \(G = E/(2(1+\nu))\), where \(\nu\) is Poisson's ratio. This
+can also be achieved by specifying {NULL} for \(k_t\), in which case a
+normal contact model that specifies material parameters \(E\) and
+\(\nu\) is required (e.g. {hertz/material}, {dmt} or {jkr}). In this
+case, mixing of the shear modulus for different particle types {i} and
+{j} is done according to:
+
+\begin\{equation\}
+1/G = 2(2-\nu_i)(1+\nu_i)/E_i + 2(2-\nu_j)(1+\nu_j)/E_j
+\end\{equation\}
+
+The {mindlin_rescale} option uses the same form as {mindlin}, but the
+magnitude of the tangential displacement is re-scaled as the contact
+unloads, i.e. if \(a < a_\{t_\{n-1\}\}\):
+
+\begin\{equation\}
+\mathbf\{\xi\} = \mathbf\{\xi_\{t_\{n-1\}\}\} \frac\{a\}\{a_\{t_\{n-1\}\}\}
+\end\{equation\}
+
+Here, \(t_\{n-1\}\) indicates the value at the previous time
+step. This rescaling accounts for the fact that a decrease in the
+contact area upon unloading leads to the contact being unable to
+support the previous tangential loading, and spurious energy is
+created without the rescaling above ("Walton"_#WaltonPC ). See also
+discussion in "Thornton et al, 2013"_#Thornton2013 , particularly
+equation 18(b) of that work and associated discussion.
+
+:line
+
+The optional {rolling} keyword enables rolling friction, which resists
+pure rolling motion of particles. The options currently supported are:
+
+{none}
+{sds} : \(k_\{roll\}\), \(\gamma_\{roll\}\), \(\mu_\{roll\}\)  :ol
+
+If the {rolling} keyword is not specified, the model defaults to {none}.
+
+For {rolling sds}, rolling friction is computed via a
+spring-dashpot-slider, using a 'pseudo-force' formulation, as detailed
+by "Luding"_#Luding2008. Unlike the formulation in
+"Marshall"_#Marshall2009, this allows for the required adjustment of
+rolling displacement due to changes in the frame of reference of the
+contacting pair.  The rolling pseudo-force is computed analogously to
+the tangential force:
+
+\begin\{equation\}
+\mathbf\{F\}_\{roll,0\} =  k_\{roll\} \mathbf\{\xi\}_\{roll\}  - \gamma_\{roll\} \mathbf\{v\}_\{roll\}
+\end\{equation\}
+
+Here, \(\mathbf\{v\}_\{roll\} = -R(\mathbf\{\Omega\}_i -
+\mathbf\{\Omega\}_j) \times \mathbf\{n\}\) is the relative rolling
+velocity, as given in "Wang et al"_#Wang2015 and
+"Luding"_#Luding2008. This differs from the expressions given by "Kuhn
+and Bagi"_#Kuhn2004 and used in "Marshall"_#Marshall2009; see "Wang et
+al"_#Wang2015 for details. The rolling displacement is given by:
+
+\begin\{equation\}
+\mathbf\{\xi\}_\{roll\} = \int_\{t_0\}^t \mathbf\{v\}_\{roll\} (\tau) \mathrm\{d\} \tau
+\end\{equation\}
+
+A Coulomb friction criterion truncates the rolling pseudo-force if it
+exceeds a critical value:
+
+\begin\{equation\}
+\mathbf\{F\}_\{roll\} =  min(\mu_\{roll\} F_\{n,0\}, \|\mathbf\{F\}_\{roll,0\}\|)\mathbf\{k\}
+\end\{equation\}
+
+Here, \(\mathbf\{k\} =
+\mathbf\{v\}_\{roll\}/\|\mathbf\{v\}_\{roll\}\|\) is the direction of
+the pseudo-force.  As with tangential displacement, the rolling
+displacement is rescaled when the critical force is exceeded, so that
+the spring length corresponds the critical force. Additionally, the
+displacement is adjusted to account for rotations of the frame of
+reference of the two contacting particles in a manner analogous to the
+tangential displacement.
+
+The rolling pseudo-force does not contribute to the total force on
+either particle (hence 'pseudo'), but acts only to induce an equal and
+opposite torque on each particle, according to:
+
+\begin\{equation\}
+\tau_\{roll,i\} =  R_\{eff\} \mathbf\{n\} \times \mathbf\{F\}_\{roll\}
+\end\{equation\}
+
+\begin\{equation\}
+\tau_\{roll,j\} =  -\tau_\{roll,i\}
+\end\{equation\}
+
+:line
+
+The optional {twisting} keyword enables twisting friction, which
+resists rotation of two contacting particles about the vector
+\(\mathbf\{n\}\) that connects their centers. The options currently
+supported are:
+
+{none}
+{sds} : \(k_\{twist\}\), \(\gamma_\{twist\}\), \(\mu_\{twist\}\)
+{marshall} :ol
+
+If the {twisting} keyword is not specified, the model defaults to {none}.
+
+For both {twisting sds} and {twisting marshall}, a history-dependent
+spring-dashpot-slider is used to compute the twisting torque. Because
+twisting displacement is a scalar, there is no need to adjust for
+changes in the frame of reference due to rotations of the particle
+pair. The formulation in "Marshall"_#Marshall2009 therefore provides
+the most straightforward treatment:
+
+\begin\{equation\}
+\tau_\{twist,0\} = -k_\{twist\}\xi_\{twist\} - \gamma_\{twist\}\Omega_\{twist\}
+\end\{equation\}
+
+Here \(\xi_\{twist\} = \int_\{t_0\}^t \Omega_\{twist\} (\tau)
+\mathrm\{d\}\tau\) is the twisting angular displacement, and
+\(\Omega_\{twist\} = (\mathbf\{\Omega\}_i - \mathbf\{\Omega\}_j) \cdot
+\mathbf\{n\}\) is the relative twisting angular velocity. The torque
+is then truncated according to:
+
+\begin\{equation\}
+\tau_\{twist\} = min(\mu_\{twist\} F_\{n,0\}, \tau_\{twist,0\})
+\end\{equation\}
+
+Similar to the sliding and rolling displacement, the angular
+displacement is rescaled so that it corresponds to the critical value
+if the twisting torque exceeds this critical value:
+
+\begin\{equation\}
+\xi_\{twist\} = \frac\{1\}\{k_\{twist\}\} (\mu_\{twist\} F_\{n,0\}sgn(\Omega_\{twist\}) - \gamma_\{twist\}\Omega_\{twist\})
+\end\{equation\}
+
+For {twisting sds}, the coefficients \(k_\{twist\}, \gamma_\{twist\}\)
+and \(\mu_\{twist\}\) are simply the user input parameters that follow
+the {twisting sds} keywords in the {pair_coeff} command.
+
+For {twisting_marshall}, the coefficients are expressed in terms of
+sliding friction coefficients, as discussed in
+"Marshall"_#Marshall2009 (see equations 32 and 33 of that work):
+
+\begin\{equation\}
+k_\{twist\} = 0.5k_ta^2
+\end\{equation\}
+
+\begin\{equation\}
+\eta_\{twist\} = 0.5\eta_ta^2
+\end\{equation\}
+
+\begin\{equation\}
+\mu_\{twist\} = \frac\{2\}\{3\}a\mu_t
+\end\{equation\}
+
+Finally, the twisting torque on each particle is given by:
+
+\begin\{equation\}
+\mathbf\{\tau\}_\{twist,i\} = \tau_\{twist\}\mathbf\{n\}
+\end\{equation\}
+
+\begin\{equation\}
+\mathbf\{\tau\}_\{twist,j\} = -\mathbf\{\tau\}_\{twist,i\}
+\end\{equation\}
+
+:line
+
+The {granular} pair style can reproduce the behavior of the
+{pair gran/*} styles with the appropriate settings (some very
+minor differences can be expected due to corrections in
+displacement history frame-of-reference, and the application
+of the torque at the center of the contact rather than
+at each particle). The first example above
+is equivalent to {pair gran/hooke 1000.0 NULL 50.0 50.0 0.4 1}.
+The second example is equivalent to
+{pair gran/hooke/history 1000.0 500.0 50.0 50.0 0.4 1}.
+The third example is equivalent to
+{pair gran/hertz/history 1000.0 500.0 50.0 50.0 0.4 1}.
+
+:line
+
+LAMMPS automatically sets pairwise cutoff values for {pair_style
+granular} based on particle radii (and in the case of {jkr} pull-off
+distances). In the vast majority of situations, this is adequate.
+However, a cutoff value can optionally be appended to the {pair_style
+granular} command to specify a global cutoff (i.e. a cutoff for all
+atom types). Additionally, the optional {cutoff} keyword can be passed
+to the {pair_coeff} command, followed by a cutoff value.  This will
+set a pairwise cutoff for the atom types in the {pair_coeff} command.
+These options may be useful in some rare cases where the automatic
+cutoff determination is not sufficient, e.g.  if particle diameters
+are being modified via the {fix adapt} command. In that case, the
+global cutoff specified as part of the {pair_style granular} command
+is applied to all atom types, unless it is overridden for a given atom
+type combination by the {cutoff} value specified in the {pair coeff}
+command.  If {cutoff} is only specified in the {pair coeff} command
+and no global cutoff is appended to the {pair_style granular} command,
+then LAMMPS will use that cutoff for the specified atom type
+combination, and automatically set pairwise cutoffs for the remaining
+atom types.
+
+:line
+
+Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
+functionally the same as the corresponding style without the suffix.
+They have been optimized to run faster, depending on your available
+hardware, as discussed on the "Speed packages"_Speed_packages.html doc
+page.  The accelerated styles take the same arguments and should
+produce the same results, except for round-off and precision issues.
+
+These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
+USER-OMP and OPT packages, respectively.  They are only enabled if
+LAMMPS was built with those packages.  See the "Build
+package"_Build_package.html doc page for more info.
+
+You can specify the accelerated styles explicitly in your input script
+by including their suffix, or you can use the "-suffix command-line
+switch"_Run_options.html when you invoke LAMMPS, or you can use the
+"suffix"_suffix.html command in your input script.
+
+See the "Speed packages"_Speed_packages.html doc page for more
+instructions on how to use the accelerated styles effectively.
+
+:line
+
+[Mixing, shift, table, tail correction, restart, rRESPA info]:
+
+The "pair_modify"_pair_modify.html mix, shift, table, and tail options
+are not relevant for granular pair styles.
+
+Mixing of coefficients is carried out using geometric averaging for
+most quantities, e.g. if friction coefficient for type 1-type 1
+interactions is set to \(\mu_1\), and friction coefficient for type
+2-type 2 interactions is set to \(\mu_2\), the friction coefficient
+for type1-type2 interactions is computed as \(\sqrt\{\mu_1\mu_2\}\)
+(unless explicitly specified to a different value by a {pair_coeff 1 2
+...} command). The exception to this is elastic modulus, only
+applicable to {hertz/material}, {dmt} and {jkr} normal contact
+models. In that case, the effective elastic modulus is computed as:
+
+\begin\{equation\}
+E_\{eff,ij\} = \left(\frac\{1-\nu_i^2\}\{E_i\} + \frac\{1-\nu_j^2\}\{E_j\}\right)^\{-1\}
+\end\{equation\}
+
+If the {i-j} coefficients \(E_\{ij\}\) and \(\nu_\{ij\}\) are
+explicitly specified, the effective modulus is computed as:
+
+\begin\{equation\}
+E_\{eff,ij\} = \left(\frac\{1-\nu_\{ij\}^2\}\{E_\{ij\}\} + \frac\{1-\nu_\{ij\}^2\}\{E_\{ij\}\}\right)^\{-1\}
+\end\{equation\}
+
+or
+
+\begin\{equation\}
+E_\{eff,ij\} = \frac\{E_\{ij\}\}\{2(1-\nu_\{ij\})\}
+\end\{equation\}
+
+These pair styles write their information to "binary restart
+files"_restart.html, so a pair_style command does not need to be
+specified in an input script that reads a restart file.
+
+These pair styles can only be used via the {pair} keyword of the
+"run_style respa"_run_style.html command.  They do not support the
+{inner}, {middle}, {outer} keywords.
+
+The single() function of these pair styles returns 0.0 for the energy
+of a pairwise interaction, since energy is not conserved in these
+dissipative potentials.  It also returns only the normal component of
+the pairwise interaction force.  However, the single() function also
+calculates 10 extra pairwise quantities.  The first 3 are the
+components of the tangential force between particles I and J, acting
+on particle I.  The 4th is the magnitude of this tangential force.
+The next 3 (5-7) are the components of the rolling torque acting on
+particle I. The next entry (8) is the magnitude of the rolling torque.
+The next entry (9) is the magnitude of the twisting torque acting
+about the vector connecting the two particle centers.
+The last 3 (10-12) are the components of the vector connecting
+the centers of the two particles (x_I - x_J).
+
+These extra quantities can be accessed by the "compute
+pair/local"_compute_pair_local.html command, as {p1}, {p2}, ...,
+{p12}.
+
+:line
+
+[Restrictions:]
+
+All the granular pair styles are part of the GRANULAR package.  It is
+only enabled if LAMMPS was built with that package.  See the "Build
+package"_Build_package.html doc page for more info.
+
+These pair styles require that atoms store torque and angular velocity
+(omega) as defined by the "atom_style"_atom_style.html.  They also
+require a per-particle radius is stored.  The {sphere} atom style does
+all of this.
+
+This pair style requires you to use the "comm_modify vel
+yes"_comm_modify.html command so that velocities are stored by ghost
+atoms.
+
+These pair styles will not restart exactly when using the
+"read_restart"_read_restart.html command, though they should provide
+statistically similar results.  This is because the forces they
+compute depend on atom velocities.  See the
+"read_restart"_read_restart.html command for more details.
+
+[Related commands:]
+
+"pair_coeff"_pair_coeff.html
+"pair gran/*"_pair_gran.html
+
+[Default:]
+
+For the {pair_coeff} settings: {damping viscoelastic}, {rolling none},
+{twisting none}.
+
+[References:]
+
+:link(Brill1996)
+[(Brilliantov et al, 1996)] Brilliantov, N. V., Spahn, F., Hertzsch,
+J. M., & Poschel, T. (1996).  Model for collisions in granular
+gases. Physical review E, 53(5), 5382.
+
+:link(Tsuji1992)
+[(Tsuji et al, 1992)] Tsuji, Y., Tanaka, T., & Ishida,
+T. (1992). Lagrangian numerical simulation of plug flow of
+cohesionless particles in a horizontal pipe. Powder technology, 71(3),
+239-250.
+
+:link(JKR1971)
+[(Johnson et al, 1971)] Johnson, K. L., Kendall, K., & Roberts,
+A. D. (1971).  Surface energy and the contact of elastic
+solids. Proc. R. Soc. Lond. A, 324(1558), 301-313.
+
+:link(DMT1975)
+[Derjaguin et al, 1975)] Derjaguin, B. V., Muller, V. M., & Toporov,
+Y. P. (1975). Effect of contact deformations on the adhesion of
+particles. Journal of Colloid and interface science, 53(2), 314-326.
+
+:link(Luding2008)
+[(Luding, 2008)] Luding, S. (2008). Cohesive, frictional powders:
+contact models for tension. Granular matter, 10(4), 235.
+
+:link(Marshall2009)
+[(Marshall, 2009)] Marshall, J. S. (2009). Discrete-element modeling
+of particulate aerosol flows.  Journal of Computational Physics,
+228(5), 1541-1561.
+
+:link(Silbert2001)
+[(Silbert, 2001)] Silbert, L. E., Ertas, D., Grest, G. S., Halsey,
+T. C., Levine, D., & Plimpton, S. J. (2001).  Granular flow down an
+inclined plane: Bagnold scaling and rheology. Physical Review E,
+64(5), 051302.
+
+:link(Kuhn2004)
+[(Kuhn and Bagi, 2005)] Kuhn, M. R., & Bagi, K. (2004). Contact
+rolling and deformation in granular media.  International journal of
+solids and structures, 41(21), 5793-5820.
+
+:link(Wang2015)
+[(Wang et al, 2015)] Wang, Y., Alonso-Marroquin, F., & Guo,
+W. W. (2015).  Rolling and sliding in 3-D discrete element
+models. Particuology, 23, 49-55.
+
+:link(Thornton1991)
+[(Thornton, 1991)] Thornton, C. (1991). Interparticle sliding in the
+presence of adhesion.  J. Phys. D: Appl. Phys. 24 1942
+
+:link(Mindlin1949)
+[(Mindlin, 1949)] Mindlin, R. D. (1949). Compliance of elastic bodies
+in contact.  J. Appl. Mech., ASME 16, 259-268.
+
+:link(Thornton2013)
+[(Thornton et al, 2013)] Thornton, C., Cummins, S. J., & Cleary,
+P. W. (2013).  An investigation of the comparative behaviour of
+alternative contact force models during inelastic collisions. Powder
+Technology, 233, 30-46.
+
+:link(WaltonPC)
+[(Otis R. Walton)] Walton, O.R., Personal Communication	
diff --git a/doc/src/pair_hbond_dreiding.txt b/doc/src/pair_hbond_dreiding.txt
index 9dd0bed87f4458e41feb03e3d31ebd35544c8895..ec470f601f19440baad50d61eac748f58173c0e3 100644
--- a/doc/src/pair_hbond_dreiding.txt
+++ b/doc/src/pair_hbond_dreiding.txt
@@ -46,7 +46,7 @@ Here, {r} is the radial distance between the donor (D) and acceptor
 (A) atoms and {theta} is the bond angle between the acceptor, the
 hydrogen (H) and the donor atoms:
 
-:c,image(Eqs/dreiding_hbond.jpg)
+:c,image(JPG/dreiding_hbond.jpg)
 
 These 3-body interactions can be defined for pairs of acceptor and
 donor atoms, based on atom types.  For each donor/acceptor atom pair,
diff --git a/doc/src/pair_ilp_graphene_hbn.txt b/doc/src/pair_ilp_graphene_hbn.txt
index 76dda14ec60ee2640e77662869ffb9c7ae67bfb8..4dd244c17f907fef218448a5a7686234ccc19c5b 100644
--- a/doc/src/pair_ilp_graphene_hbn.txt
+++ b/doc/src/pair_ilp_graphene_hbn.txt
@@ -21,7 +21,7 @@ pair_style hybrid/overlay ilp/graphene/hbn 16.0 1
 pair_coeff * * ilp/graphene/hbn  BNCH.ILP B N C :pre
 
 pair_style  hybrid/overlay rebo tersoff ilp/graphene/hbn 16.0 coul/shield 16.0
-pair_coeff  * * rebo                 CH.airebo   NULL NULL C
+pair_coeff  * * rebo                 CH.rebo     NULL NULL C
 pair_coeff  * * tersoff              BNC.tersoff B    N    NULL
 pair_coeff  * * ilp/graphene/hbn     BNCH.ILP    B    N    C
 pair_coeff  1 1 coul/shield 0.70
@@ -47,11 +47,16 @@ equation can be found in "(Leven1)"_#Leven1 and "(Maaravi)"_#Maaravi2.
 It is important to include all the pairs to build the neighbor list for
 calculating the normals.
 
-NOTE: This potential is intended for interactions between two different
-layers of graphene or hexagonal boron nitride. Therefore, to avoid
-interaction within the same layers, each layer should have a separate
-molecule id and is recommended to use "full" atom style in the data
-file.
+NOTE: This potential (ILP) is intended for interlayer interactions between two
+different layers of graphene, hexagonal boron nitride (h-BN) and their hetero-junction.
+To perform a realistic simulation, this potential must be used in combination with
+intralayer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential.
+To keep the intralayer properties unaffected, the interlayer interaction
+within the same layers should be avoided. Hence, each atom has to have a layer
+identifier such that atoms residing on the same layer interact via the
+appropriate intralayer potential and atoms residing on different layers
+interact via the ILP. Here, the molecule id is chosen as the layer identifier,
+thus a data file with the "full" atom style is required to use this potential.
 
 The parameter file (e.g. BNCH.ILP), is intended for use with {metal}
 "units"_units.html, with energies in meV. Two additional parameters,
@@ -62,6 +67,10 @@ list for calculating the normals for each atom pair.
 NOTE: The parameters presented in the parameter file (e.g. BNCH.ILP),
 are fitted with taper function by setting the cutoff equal to 16.0
 Angstrom.  Using different cutoff or taper function should be careful.
+The parameters for atoms pairs between Boron and Nitrogen are fitted with
+a screened Coulomb interaction "coul/shield"_pair_coul_shield.html. Therefore,
+to simulated the properties of h-BN correctly, this potential must be used in
+combination with the pair style "coul/shield"_pair_coul_shield.html.
 
 NOTE: Two new sets of parameters of ILP for two-dimensional hexagonal
 Materials are presented in "(Ouyang)"_#Ouyang.  These parameters provide
@@ -108,6 +117,7 @@ units, if your simulation does not use {metal} units.
 "pair_coeff"_pair_coeff.html,
 "pair_none"_pair_none.html,
 "pair_style hybrid/overlay"_pair_hybrid.html,
+"pair_style drip"_pair_drip.html,
 "pair_style pair_kolmogorov_crespi_z"_pair_kolmogorov_crespi_z.html,
 "pair_style pair_kolmogorov_crespi_full"_pair_kolmogorov_crespi_full.html,
 "pair_style pair_lebedeva_z"_pair_lebedeva_z.html,
diff --git a/doc/src/pair_kim.txt b/doc/src/pair_kim.txt
index e1bde4f10e1b445e978185286c1fc7d0a906542d..a415ac606ba7ffef1352b768a222e3a39978f085 100644
--- a/doc/src/pair_kim.txt
+++ b/doc/src/pair_kim.txt
@@ -10,18 +10,13 @@ pair_style kim command :h3
 
 [Syntax:]
 
-pair_style kim virialmode model printflag :pre
+pair_style kim model :pre
 
-virialmode = KIMvirial or LAMMPSvirial
 model = name of KIM model (potential)
-printflag = 1/0 do or do not print KIM descriptor file, optional :ul
 
 [Examples:]
 
-pair_style kim KIMvirial model_Ar_P_Morse
-pair_coeff * * Ar Ar :pre
-
-pair_style kim KIMvirial model_Ar_P_Morse 1
+pair_style kim ex_model_Ar_P_LJ
 pair_coeff * * Ar Ar :pre
 
 [Description:]
@@ -36,14 +31,10 @@ element or alloy and set of parameters, e.g. EAM for Cu with a
 specific EAM potential file.
 
 See the current list of "KIM model
-drivers"_https://openkim.org/kim-items/model-drivers/alphabetical.
+drivers"_https://openkim.org/browse/model-drivers/alphabetical.
 
 See the current list of all "KIM
-models"_https://openkim.org/kim-items/models/by-model-drivers
-
-See the list of "example KIM models"_https://openkim.org/kim-api which
-are included in the KIM library by default, in the "What is in the KIM
-API source package?" section.
+models"_https://openkim.org/browse/models/by-model-drivers
 
 To use this pair style, you must first download and install the KIM
 API library from the "OpenKIM website"_https://openkim.org.  The KIM
@@ -53,23 +44,14 @@ building LAMMPS.
 
 See the examples/kim dir for an input script that uses a KIM model
 (potential) for Lennard-Jones.
-
+ 
 :line
 
-The argument {virialmode} determines how the global virial is
-calculated.  If {KIMvirial} is specified, the KIM model performs the
-global virial calculation (if it knows how).  If {LAMMPSvirial} is
-specified, LAMMPS computes the global virial using its fdotr mechanism.
-
 The argument {model} is the name of the KIM model for a specific
 potential as KIM defines it.  In principle, LAMMPS can invoke any KIM
 model.  You should get an error or warning message from either LAMMPS
 or KIM if there is an incompatibility.
 
-The argument {printflag} is optional.  If it is set to a non-zero
-value then a KIM descriptor file is printed when KIM is invoked.  This
-can be useful for debugging.  The default is to not print this file.
-
 Only a single pair_coeff command is used with the {kim} style which
 specifies the mapping of LAMMPS atom types to KIM elements.  This is
 done by specifying N additional arguments after the * * in the
@@ -86,18 +68,14 @@ pair_coeff * * Si Si Si C :pre
 The 1st 2 arguments must be * * so as to span all LAMMPS atom types.
 The first three Si arguments map LAMMPS atom types 1,2,3 to Si as
 defined within KIM.  The final C argument maps LAMMPS atom type 4 to C
-as defined within KIM.  If a mapping value is specified as NULL, the
-mapping is not performed.  This can only be used when a {kim}
-potential is used as part of the {hybrid} pair style.  The NULL values
-are placeholders for atom types that will be used with other
-potentials.
+as defined within KIM.
 
 :line
 
 In addition to the usual LAMMPS error messages, the KIM library itself
 may generate errors, which should be printed to the screen.  In this
 case it is also useful to check the kim.log file for additional error
-information.  This file kim.log should be generated in the same
+information.  The file kim.log should be generated in the same
 directory where LAMMPS is running.
 
 To download, build, and install the KIM library on your system, see
@@ -130,7 +108,7 @@ LAMMPS was built with that package.  See the "Build
 package"_Build_package.html doc page for more info.
 
 This current version of pair_style kim is compatible with the
-kim-api package version 1.6.0 and higher.
+kim-api package version 2.0.0 and higher.
 
 [Related commands:]
 
diff --git a/doc/src/pair_kolmogorov_crespi_full.txt b/doc/src/pair_kolmogorov_crespi_full.txt
index 6d76a24bdb2e298bccd02c5a19d4d3f40945680d..9ad5bfea84409f1b3e184b21b0c52f0c2302da8c 100644
--- a/doc/src/pair_kolmogorov_crespi_full.txt
+++ b/doc/src/pair_kolmogorov_crespi_full.txt
@@ -22,7 +22,7 @@ pair_coeff * * none
 pair_coeff * * kolmogorov/crespi/full  CH.KC   C C :pre
 
 pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0 1
-pair_coeff * * rebo                    CH.airebo    C H
+pair_coeff * * rebo                    CH.rebo      C H
 pair_coeff * * kolmogorov/crespi/full  CH_taper.KC  C H :pre
 
 [Description:]
@@ -42,10 +42,16 @@ the last term in the equation for {Vij} above. This is essential only
 when the tapper function is turned off. The formula of taper function
 can be found in pair style "ilp/graphene/hbn"_pair_ilp_graphene_hbn.html.
 
-NOTE: This potential is intended for interactions between two different
-graphene layers. Therefore, to avoid interaction within the same layers,
-each layer should have a separate molecule id and is recommended to use
-"full" atom style in the data file.
+NOTE: This potential (ILP) is intended for interlayer interactions between two
+different layers of graphene. To perform a realistic simulation, this potential 
+must be used in combination with intralayer potential, such as 
+"AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential.
+To keep the intralayer properties unaffected, the interlayer interaction
+within the same layers should be avoided. Hence, each atom has to have a layer
+identifier such that atoms residing on the same layer interact via the
+appropriate intralayer potential and atoms residing on different layers
+interact via the ILP. Here, the molecule id is chosen as the layer identifier,
+thus a data file with the "full" atom style is required to use this potential.
 
 The parameter file (e.g. CH.KC), is intended for use with {metal}
 "units"_units.html, with energies in meV. Two additional parameters, {S},
@@ -100,6 +106,7 @@ units.
 "pair_coeff"_pair_coeff.html,
 "pair_none"_pair_none.html,
 "pair_style hybrid/overlay"_pair_hybrid.html,
+"pair_style drip"_pair_drip.html,
 "pair_style pair_lebedeva_z"_pair_lebedeva_z.html,
 "pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html,
 "pair_style ilp/graphene/hbn"_pair_ilp_graphene_hbn.html.
diff --git a/doc/src/pair_kolmogorov_crespi_z.txt b/doc/src/pair_kolmogorov_crespi_z.txt
index aabb3460e70ea8ccb8487314422556705fcbe408..d45b5bd2e9e6decfdebe353f90fee9b750c38d34 100644
--- a/doc/src/pair_kolmogorov_crespi_z.txt
+++ b/doc/src/pair_kolmogorov_crespi_z.txt
@@ -19,7 +19,7 @@ pair_coeff * * none
 pair_coeff 1 2 kolmogorov/crespi/z  CC.KC   C C :pre
 
 pair_style hybrid/overlay rebo kolmogorov/crespi/z 14.0
-pair_coeff * * rebo                 CH.airebo  C C
+pair_coeff * * rebo                 CH.rebo    C C
 pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C :pre
 
 [Description:]
@@ -59,6 +59,7 @@ package"_Build_package.html doc page for more info.
 "pair_coeff"_pair_coeff.html,
 "pair_none"_pair_none.html,
 "pair_style hybrid/overlay"_pair_hybrid.html,
+"pair_style drip"_pair_drip.html,
 "pair_style ilp/graphene/hbn"_pair_ilp_graphene_hbn.html.
 "pair_style kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html,
 "pair_style lebedeva/z"_pair_lebedeva_z.html
diff --git a/doc/src/pair_lebedeva_z.txt b/doc/src/pair_lebedeva_z.txt
index 9eab56d0d9a5cb3e589cb21054128018f95dfa54..ad6c4c12f44536a5da760793a32dbd91e1f157fe 100644
--- a/doc/src/pair_lebedeva_z.txt
+++ b/doc/src/pair_lebedeva_z.txt
@@ -19,8 +19,8 @@ pair_coeff * * none
 pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre
 
 pair_style hybrid/overlay rebo lebedeva/z 14.0
-pair_coeff * * rebo                 CH.airebo  C C
-pair_coeff 1 2 lebedeva/z  CC.Lebedeva      C C :pre
+pair_coeff * * rebo        CH.rebo       C C
+pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre
 
 [Description:]
 
@@ -53,6 +53,7 @@ package"_Build_package.html doc page for more info.
 "pair_coeff"_pair_coeff.html,
 "pair_style none"_pair_none.html,
 "pair_style hybrid/overlay"_pair_hybrid.html,
+"pair_style drip"_pair_drip.html,
 "pair_style ilp/graphene/hbd"_pair_ilp_graphene_hbn.html,
 "pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html,
 "pair_style kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html.
diff --git a/doc/src/pair_lj_long.txt b/doc/src/pair_lj_long.txt
index 4e8410d062069aa8f40470d742a8f15c906bea84..e371030a761bab8327ce1294e09f2feb71f86724 100644
--- a/doc/src/pair_lj_long.txt
+++ b/doc/src/pair_lj_long.txt
@@ -91,7 +91,7 @@ is to enable LAMMPS to "find" the 2 H atoms associated with each O
 atom.  For example, if the atom ID of an O atom in a TIP4P water
 molecule is 500, then its 2 H atoms must have IDs 501 and 502.
 
-See the the "Howto tip4p"_Howto_tip4p.html doc page for more
+See the "Howto tip4p"_Howto_tip4p.html doc page for more
 information on how to use the TIP4P pair style.  Note that the
 neighbor list cutoff for Coulomb interactions is effectively extended
 by a distance 2*qdist when using the TIP4P pair style, to account for
diff --git a/doc/src/pair_mdf.txt b/doc/src/pair_mdf.txt
index 8a1551ddedf3b3ba964691798e7844693cc719ba..44c9e7f67d1c6680309f78c317d9782d20571c16 100644
--- a/doc/src/pair_mdf.txt
+++ b/doc/src/pair_mdf.txt
@@ -30,16 +30,16 @@ args = list of arguments for a particular style :l
 [Examples:]
 
 pair_style lj/mdf 2.5 3.0
-pair_coeff * * 1 1
-pair_coeff 1 1 1 1.1 2.8 3.0 3.2 :pre
+pair_coeff * * 1.0 1.0
+pair_coeff 1 1 1.1 2.8 3.0 3.2 :pre
 
 pair_style buck 2.5 3.0
 pair_coeff * * 100.0 1.5 200.0
 pair_coeff * * 100.0 1.5 200.0 3.0 3.5 :pre
 
 pair_style lennard/mdf 2.5 3.0
-pair_coeff * * 1 1
-pair_coeff 1 1 1 1.1 2.8 3.0 3.2 :pre
+pair_coeff * * 1.0 1.0
+pair_coeff 1 1 1021760.3664 2120.317338 3.0 3.2 :pre
 
 [Description:]
 
@@ -69,11 +69,12 @@ standard 12-6 Lennard-Jones written in the epsilon/sigma form:
 
 :c,image(Eqs/pair_mdf-4.jpg)
 
-The following coefficients must be defined for each pair of atoms
-types via the pair_coeff command as in the examples above, or in the
-data file or restart files read by the "read_data"_read_data.html or
-"read_restart commands"_read_restart.html, or by mixing as described
-below:
+Either the first two or all of the following coefficients must be
+defined for each pair of atoms types via the pair_coeff command as
+in the examples above, or in the data file read by the
+"read_data"_read_data.html. The two cutoffs default to the global
+values and epsilon and sigma can also be determined by mixing as
+described below:
 
 epsilon (energy units)
 sigma (distance units)
@@ -83,7 +84,9 @@ r_{cut} (distance units) :ul
 :line
 
 For the {buck/mdf} pair_style, the potential energy, {E(r)}, is the
-standard Buckingham potential:
+standard Buckingham potential with three required coefficients.
+The two cutoffs can be omitted and default to the corresponding
+global values:
 
 :c,image(Eqs/pair_mdf-5.jpg)
 
@@ -91,19 +94,20 @@ A (energy units)
 \rho (distance units)
 C (energy-distance^6 units)
 r_m (distance units)
-r_{cut}$ (distance units) :ul
+r_{cut} (distance units) :ul
 
 :line
 
 For the {lennard/mdf} pair_style, the potential energy, {E(r)}, is the
-standard 12-6 Lennard-Jones written in the $A/B$ form:
+standard 12-6 Lennard-Jones written in the A/B form:
 
 :c,image(Eqs/pair_mdf-6.jpg)
 
 The following coefficients must be defined for each pair of atoms
 types via the pair_coeff command as in the examples above, or in the
-data file or restart files read by the read_data or read_restart
-commands, or by mixing as described below:
+data file read by the read_data commands, or by mixing as described below.
+The two cutoffs default to their global values and must be either both
+given or both left out:
 
 A (energy-distance^12 units)
 B (energy-distance^6 units)
@@ -115,33 +119,23 @@ r_{cut} (distance units) :ul
 [Mixing, shift, table, tail correction, restart, rRESPA info]:
 
 For atom type pairs I,J and I != J, the epsilon and sigma coefficients
-and cutoff distance for all of the lj/cut pair styles can be mixed.
+and cutoff distances for the lj/mdf pair style can be mixed.
 The default mix value is {geometric}.  See the "pair_modify" command
-for details.
-
-All of the {lj/cut} pair styles support the
-"pair_modify"_pair_modify.html shift option for the energy of the
-Lennard-Jones portion of the pair interaction.
-
-The {lj/cut/coul/long} and {lj/cut/tip4p/long} pair styles support the
-"pair_modify"_pair_modify.html table option since they can tabulate
-the short-range portion of the long-range Coulombic interaction.
-
-All of the {lj/cut} pair styles support the
-"pair_modify"_pair_modify.html tail option for adding a long-range
-tail correction to the energy and pressure for the Lennard-Jones
-portion of the pair interaction.
-
-All of the {lj/cut} pair styles write their information to "binary
-restart files"_restart.html, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
-
-The {lj/cut} and {lj/cut/coul/long} pair styles support the use of the
-{inner}, {middle}, and {outer} keywords of the "run_style
-respa"_run_style.html command, meaning the pairwise forces can be
-partitioned by distance at different levels of the rRESPA hierarchy.
-The other styles only support the {pair} keyword of run_style respa.
-See the "run_style"_run_style.html command for details.
+for details. The other two pair styles buck/mdf and lennard/mdf do not
+support mixing, so all I,J pairs of coefficients must be specified
+explicitly.
+
+None of the lj/mdf, buck/mdf, or lennard/mdf pair styles supports
+the "pair_modify"_pair_modify.html shift option or long-range
+tail corrections to pressure and energy.
+
+These styles write their information to "binary restart
+files"_restart.html, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
+
+These styles can only be used via the {pair} keyword of the "run_style
+respa"_run_style.html command.  They do not support the {inner},
+{middle}, {outer} keywords.
 
 :line
 
diff --git a/doc/src/pair_meamc.txt b/doc/src/pair_meamc.txt
index b57339b1800d271c0be3e5b514743c130a0e8438..80f69b1a4622387b9a30e2eb691472470ac61a84 100644
--- a/doc/src/pair_meamc.txt
+++ b/doc/src/pair_meamc.txt
@@ -357,6 +357,13 @@ The {meam/c} style is provided in the USER-MEAMC package. It is
 only enabled if LAMMPS was built with that package.
 See the "Build package"_Build_package.html doc page for more info.
 
+The maximum number of elements, that can be read from the MEAM
+library file, is determined at compile time. The default is 5.
+If you need support for more elements, you have to change the
+define for the constant 'maxelt' at the beginning of the file
+src/USER-MEAMC/meam.h and update/recompile LAMMPS. There is no
+limit on the number of atoms types.
+
 [Related commands:]
 
 "pair_coeff"_pair_coeff.html, "pair_style eam"_pair_eam.html,
diff --git a/doc/src/pair_modify.txt b/doc/src/pair_modify.txt
index 4824a3d83e641547e4105f457abf2558d9396753..c446aa29d03fc1bae3ce2e1855814dc83bc65d81 100644
--- a/doc/src/pair_modify.txt
+++ b/doc/src/pair_modify.txt
@@ -13,7 +13,8 @@ pair_modify command :h3
 pair_modify keyword values ... :pre
 
 one or more keyword/value pairs may be listed :ulb,l
-keyword = {pair} or {shift} or {mix} or {table} or {table/disp} or {tabinner} or {tabinner/disp} or {tail} or {compute} :l
+keyword = {pair} or {shift} or {mix} or {table} or {table/disp} or {tabinner}
+or {tabinner/disp} or {tail} or {compute} or {nofdotr} :l
   {pair} values = sub-style N {special} which wt1 wt2 wt3
                or sub-style N {compute/tally} flag
     sub-style = sub-style of "pair hybrid"_pair_hybrid.html
@@ -33,7 +34,8 @@ keyword = {pair} or {shift} or {mix} or {table} or {table/disp} or {tabinner} or
   {tabinner/disp} value = cutoff
     cutoff = inner cutoff at which to begin table (distance units)
   {tail} value = {yes} or {no}
-  {compute} value = {yes} or {no} :pre
+  {compute} value = {yes} or {no}
+  {nofdotr} :pre
 :ule
 
 [Examples:]
@@ -212,6 +214,10 @@ a pair style will not work, because the
 "kspace_style"_kspace_style.html command requires a Kspace-compatible
 pair style be defined.
 
+The {nofdotr} keyword allows to disable an optimization that computes
+the global stress tensor from the total forces and atom positions rather
+than from summing forces between individual pairs of atoms.
+
 :line
 
 The {special} keyword allows to override the 1-2, 1-3, and 1-4
diff --git a/doc/src/pair_quip.txt b/doc/src/pair_quip.txt
index 30f1d80450d2ebcb945df34727cede82548ebd64..e6b01b88530561a8bb2e684d8750411419d1fa57 100644
--- a/doc/src/pair_quip.txt
+++ b/doc/src/pair_quip.txt
@@ -92,10 +92,6 @@ pairs from the neighbor list. This needs to be very carefully tested,
 because it may remove pairs from the neighbor list that are still
 required.
 
-Pair style {quip} cannot be used with pair style {hybrid}, only
-with {hybrid/overlay} and only the {quip} sub-style is applied to
-all atom types.
-
 [Related commands:]
 
 "pair_coeff"_pair_coeff.html
diff --git a/doc/src/pair_snap.txt b/doc/src/pair_snap.txt
index a796cfdeba205691730e83f9648908e564dcde98..1fba74a188b6424d2a50b86d83bb52afd7b49bb8 100644
--- a/doc/src/pair_snap.txt
+++ b/doc/src/pair_snap.txt
@@ -38,7 +38,7 @@ where {B_k^i} is the {k}-th bispectrum component of atom {i},
 and {beta_k^alpha_i} is the corresponding linear coefficient
 that depends on {alpha_i}, the SNAP element of atom {i}. The
 number of bispectrum components used and their definitions
-depend on the values of {twojmax} and {diagonalstyle}
+depend on the value of {twojmax}
 defined in the SNAP parameter file described below.
 The bispectrum calculation is described in more detail
 in "compute sna/atom"_compute_sna_atom.html.
@@ -125,14 +125,13 @@ This line is followed by {ncoeff} coefficients, one per line.
 The SNAP parameter file can contain blank and comment lines (start
 with #) anywhere. Each non-blank non-comment line must contain one
 keyword/value pair. The required keywords are {rcutfac} and
-{twojmax}. Optional keywords are {rfac0}, {rmin0}, {diagonalstyle},
+{twojmax}. Optional keywords are {rfac0}, {rmin0},
 {switchflag}, and {bzeroflag}.
 
 The default values for these keywords are
 
 {rfac0} = 0.99363
 {rmin0} = 0.0
-{diagonalstyle} = 3
 {switchflag} = 0
 {bzeroflag} = 1
 {quadraticflag} = 1 :ul
@@ -144,6 +143,9 @@ If {quadraticflag} is set to 1, then the SNAP energy expression includes the qua
 The SNAP element file should contain {K}({K}+1)/2 additional coefficients
 for each element, the upper-triangular elements of alpha.
 
+NOTE: The previously used {diagonalstyle} keyword was removed in 2019,
+since all known SNAP potentials use the default value of 3.
+
 :line
 
 [Mixing, shift, table, tail correction, restart, rRESPA info]:
diff --git a/doc/src/pair_spin_dipole.txt b/doc/src/pair_spin_dipole.txt
new file mode 100644
index 0000000000000000000000000000000000000000..0d6471e07fc26bd961ed05ff0b93d74d7cb2be54
--- /dev/null
+++ b/doc/src/pair_spin_dipole.txt
@@ -0,0 +1,83 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+pair_style spin/dipole/cut command :h3
+pair_style spin/dipole/long command :h3
+
+[Syntax:]
+
+pair_style spin/dipole/cut cutoff 
+pair_style spin/dipole/long cutoff :pre
+
+cutoff = global cutoff for magnetic dipole energy and forces
+(optional) (distance units) :ulb,l
+:ule
+
+[Examples:]
+
+pair_style spin/dipole/cut 10.0
+pair_coeff * * 10.0 
+pair_coeff 2 3 8.0 :pre
+
+pair_style spin/dipole/long 9.0
+pair_coeff * * 1.0 1.0
+pair_coeff 2 3 1.0 1.0 2.5 4.0 scale 0.5
+pair_coeff 2 3 1.0 1.0 2.5 4.0 :pre
+
+[Description:]
+
+Style {spin/dipole/cut} computes a short-range dipole-dipole
+interaction between pairs of magnetic particles that each 
+have a magnetic spin. 
+The magnetic dipole-dipole interactions are computed by the
+following formulas for the magnetic energy, magnetic precession 
+vector omega and mechanical force between particles I and J.
+
+:c,image(Eqs/pair_spin_dipole.jpg)
+
+where si and sj are the spin on two magnetic particles, 
+r is their separation distance, and the vector e = (Ri - Rj)/|Ri - Rj| 
+is the direction vector between the two particles.  
+
+Style {spin/dipole/long} computes long-range magnetic dipole-dipole
+interaction.
+A "kspace_style"_kspace_style.html must be defined to
+use this pair style.  Currently, "kspace_style 
+ewald/dipole/spin"_kspace_style.html and "kspace_style
+pppm/dipole/spin"_kspace_style.html support long-range magnetic 
+dipole-dipole interactions.
+
+:line
+
+The "pair_modify"_pair_modify.html table option is not relevant
+for this pair style.
+
+This pair style does not support the "pair_modify"_pair_modify.html
+tail option for adding long-range tail corrections to energy and
+pressure.
+
+This pair style writes its information to "binary restart
+files"_restart.html, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
+
+[Restrictions:]
+
+The {spin/dipole/cut} and {spin/dipole/long} styles are part of
+the SPIN package.  They are only enabled if LAMMPS was built with that 
+package.  See the "Build package"_Build_package.html doc page for more 
+info.
+
+Using dipole/spin pair styles with {electron} "units"_units.html is not
+currently supported.
+
+[Related commands:]
+
+"pair_coeff"_pair_coeff.html, "kspace_style"_kspace_style.html
+"fix nve/spin"_fix_nve_spin.html
+
+[Default:] none
diff --git a/doc/src/pair_spin_dmi.txt b/doc/src/pair_spin_dmi.txt
index bc67e43ecdaeba9b9e777922143c505551566c77..9ddff8a8dc850dbd5267a7229bee5878641cf159 100644
--- a/doc/src/pair_spin_dmi.txt
+++ b/doc/src/pair_spin_dmi.txt
@@ -88,4 +88,4 @@ package"_Build_package.html doc page for more info.
 Physical Review B, 88(18), 184422. (2013).
 :link(Tranchida5)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/pair_spin_exchange.txt b/doc/src/pair_spin_exchange.txt
index 10d65a55a151b7fba6cbd2d75fc6ff04b122ba9d..76a6d508d23974e406abbed39da4e840ac0806a3 100644
--- a/doc/src/pair_spin_exchange.txt
+++ b/doc/src/pair_spin_exchange.txt
@@ -95,4 +95,4 @@ package"_Build_package.html doc page for more info.
 
 :link(Tranchida3)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/pair_spin_magelec.txt b/doc/src/pair_spin_magelec.txt
index 151ecdec3d23cf2ec47b14db2ce86596cf616dcb..206da4bb514b26f471bcdb9e1ddd11aefc81bf0d 100644
--- a/doc/src/pair_spin_magelec.txt
+++ b/doc/src/pair_spin_magelec.txt
@@ -70,4 +70,4 @@ package"_Build_package.html doc page for more info.
 
 :link(Tranchida4)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/pair_spin_neel.txt b/doc/src/pair_spin_neel.txt
index 8e2242f013e376b6a193302ad9219b317bad853a..009ef7947d422b5e73ce0c56e47841530f338897 100644
--- a/doc/src/pair_spin_neel.txt
+++ b/doc/src/pair_spin_neel.txt
@@ -80,4 +80,4 @@ package"_Build_package.html doc page for more info.
 
 :link(Tranchida6)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-Journal of Computational Physics, (2018).
+Journal of Computational Physics, 372, 406-425, (2018).
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index f6fcd110d803cda0886c9d7103d55c20db080f9e..8a35e5a46787853e890dce48e4fa439e9eb9b4d3 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -147,6 +147,8 @@ accelerated styles exist.
 "dpd/fdt/energy"_pair_dpd_fdt.html - DPD for constant energy and enthalpy
 "dpd/tstat"_pair_dpd.html - pair-wise DPD thermostatting
 "dsmc"_pair_dsmc.html - Direct Simulation Monte Carlo (DSMC)
+"e3b"_pair_e3b.html - Explicit-three body (E3B) water model
+"drip"_pair_drip.html - Dihedral-angle-corrected registry-dependent interlayer potential (DRIP)
 "eam"_pair_eam.html - embedded atom method (EAM)
 "eam/alloy"_pair_eam.html - alloy EAM
 "eam/cd"_pair_eam.html - concentration-dependent EAM
@@ -174,7 +176,7 @@ accelerated styles exist.
 "kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html - Kolmogorov-Crespi (KC) potential with no simplifications
 "kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html - Kolmogorov-Crespi (KC) potential with normals along z-axis
 "lcbop"_pair_lcbop.html - long-range bond-order potential (LCBOP)
-"lebedeva/z"_pair_lebedeva_z.html - Lebedeva inter-layer potential for graphene with normals along z-axis
+"lebedeva/z"_pair_lebedeva_z.html - Lebedeva interlayer potential for graphene with normals along z-axis
 "lennard/mdf"_pair_mdf.html - LJ potential in A/B form with a taper function
 "line/lj"_pair_line_lj.html - LJ potential between line segments
 "list"_pair_list.html - potential between pairs of atoms explicitly listed in an input file
@@ -282,6 +284,8 @@ accelerated styles exist.
 "sph/rhosum"_pair_sph_rhosum.html -
 "sph/taitwater"_pair_sph_taitwater.html -
 "sph/taitwater/morris"_pair_sph_taitwater_morris.html -
+"spin/dipole/cut"_pair_spin_dipole.html -
+"spin/dipole/long"_pair_spin_dipole.html -
 "spin/dmi"_pair_spin_dmi.html -
 "spin/exchange"_pair_spin_exchange.html -
 "spin/magelec"_pair_spin_magelec.html -
diff --git a/doc/src/pair_vashishta.txt b/doc/src/pair_vashishta.txt
index 01d089b4de9b0727103d4b1fd653b2684cf711a5..7ffb16cc834ffafa43f68d0b89e856aab2146389 100644
--- a/doc/src/pair_vashishta.txt
+++ b/doc/src/pair_vashishta.txt
@@ -63,7 +63,7 @@ equally spaced in R^2 space from cutinner^2 to cutoff^2.  For the
 two-body term in the above equation, a linear interpolation for each
 pairwise distance between adjacent points in the table.  In practice
 the tabulated version can run 3-5x faster than the analytic version
-with with moderate to little loss of accuracy for Ntable values
+with moderate to little loss of accuracy for Ntable values
 between 10000 and 1000000. It is not recommended to use less than
 5000 tabulation points.
 
diff --git a/doc/src/pairs.txt b/doc/src/pairs.txt
index 09c310a11083817020c4fa3dde5ac9a24fcdfd64..2f63f18bade736167a56a1a7c44d5bd65cd551c2 100644
--- a/doc/src/pairs.txt
+++ b/doc/src/pairs.txt
@@ -31,7 +31,9 @@ Pair Styles :h1
    pair_dipole
    pair_dpd
    pair_dpd_fdt
+   pair_drip
    pair_dsmc
+   pair_e3b
    pair_eam
    pair_edip
    pair_eff
@@ -42,6 +44,7 @@ Pair Styles :h1
    pair_gauss
    pair_gayberne
    pair_gran
+   pair_granular
    pair_gromacs
    pair_gw
    pair_hbond_dreiding
@@ -102,6 +105,7 @@ Pair Styles :h1
    pair_sph_rhosum
    pair_sph_taitwater
    pair_sph_taitwater_morris
+   pair_spin_dipole
    pair_spin_dmi
    pair_spin_exchange
    pair_spin_magelec
diff --git a/doc/src/python.txt b/doc/src/python.txt
index 54d18d2f6069c8e23400b9fd10be83083006c54a..851183ddf456ff59581fbf656e21879a4bc25371 100644
--- a/doc/src/python.txt
+++ b/doc/src/python.txt
@@ -480,7 +480,7 @@ information on those settings.
 If you use Python code which calls back to LAMMPS, via the SELF input
 argument explained above, there is an extra step required when
 building LAMMPS.  LAMMPS must also be built as a shared library and
-your Python function must be able to to load the Python module in
+your Python function must be able to load the Python module in
 python/lammps.py that wraps the LAMMPS library interface.  These are
 the same steps required to use Python by itself to wrap LAMMPS.
 Details on these steps are explained on the "Python"_Python_head.html
diff --git a/doc/src/read_data.txt b/doc/src/read_data.txt
index 30ee1201d913d2129acbd622a81b51d1ea3f3539..62112ea886929be9864e40d37d33e1902e960032 100644
--- a/doc/src/read_data.txt
+++ b/doc/src/read_data.txt
@@ -701,7 +701,7 @@ of 0 means the atom is still inside the box when unwrapped.  A value
 of 2 means add 2 box lengths to get the unwrapped coordinate.  A value
 of -1 means subtract 1 box length to get the unwrapped coordinate.
 LAMMPS updates these flags as atoms cross periodic boundaries during
-the simulation.  The "dump"_dump.html command can output atom atom
+the simulation.  The "dump"_dump.html command can output atom
 coordinates in wrapped or unwrapped form, as well as the 3 image
 flags.
 
diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt
index 03f3db7e19fa56ffcf57b4bc6af8aa25cdeec163..495c890c59681b1122f59f5456f3027217368c05 100644
--- a/doc/src/server_md.txt
+++ b/doc/src/server_md.txt
@@ -65,7 +65,7 @@ in this pseudo code is a pointer to an instance of the CSlib.
 See the src/MESSAGE/server_md.cpp and src/MESSAGE/fix_client_md.cpp
 files for details on how LAMMPS uses these messages.  See the
 examples/COUPLE/lammps_vasp/vasp_wrapper.py file for an example of how
-a quantum code (VASP) can use use these messages.
+a quantum code (VASP) can use these messages.
 
 The following pseudo-code uses these values, defined as enums.
 
diff --git a/doc/src/tad.txt b/doc/src/tad.txt
index effb998f947d53ca120617850922270f670c3579..62407532d65862b4e60b9577cc74d37c73f61827 100644
--- a/doc/src/tad.txt
+++ b/doc/src/tad.txt
@@ -62,7 +62,7 @@ results at a specified lower temperature.  A good overview of
 accelerated dynamics methods for such systems is given in "this review
 paper"_#Voter2002 from the same group. In general, these methods assume
 that the long-time dynamics is dominated by infrequent events i.e. the
-system is is confined to low energy basins for long periods,
+system is confined to low energy basins for long periods,
 punctuated by brief, randomly-occurring transitions to adjacent
 basins.  TAD is suitable for infrequent-event systems, where in
 addition, the transition kinetics are well-approximated by harmonic
diff --git a/doc/src/variable.txt b/doc/src/variable.txt
index 77c1f6eeb0eaca7cde49130e8613b9ad8fb9fa09..b545f6cee28b46f28bb81090949b709d8173fdc9 100644
--- a/doc/src/variable.txt
+++ b/doc/src/variable.txt
@@ -52,7 +52,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
                      sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
                      random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x)
                      ramp(x,y), stagger(x,y), logfreq(x,y,z), logfreq2(x,y,z),
-                     stride(x,y,z), stride2(x,y,z,a,b,c),
+                     logfreq3(x,y,z), stride(x,y,z), stride2(x,y,z,a,b,c),
                      vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
     group functions = count(group), mass(group), charge(group),
                       xcm(group,dim), vcm(group,dim), fcm(group,dim),
@@ -293,7 +293,7 @@ list of runs (e.g. 1000) without having to list N strings in the input
 script.
 
 For the {string} style, a single string is assigned to the variable.
-Two differences between this this and using the {index} style exist:
+Two differences between this style and using the {index} style exist:
 a variable with {string} style can be redefined, e.g. by another command later
 in the input script, or if the script is read again in a loop. The other
 difference is that {string} performs variable substitution even if the
@@ -359,7 +359,7 @@ per-atom values is read, a non-blank line is searched for in the file.
 A comment character "#" can be used anywhere on a line; text starting
 with the comment character is stripped.  Blank lines are skipped.  The
 first "word" of a non-blank line, delimited by white-space, is read as
-the count N of per-atom lines to immediately follow.  N can be be the
+the count N of per-atom lines to immediately follow.  N can be the
 total number of atoms in the system, or only a subset.  The next N
 lines have the following format
 
@@ -459,8 +459,8 @@ Math functions: sqrt(x), exp(x), ln(x), log(x), abs(x), \
      sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), \
      random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), \
      ramp(x,y), stagger(x,y), logfreq(x,y,z), logfreq2(x,y,z), \
-     stride(x,y,z), stride2(x,y,z,a,b,c), vdisplace(x,y), \
-     swiggle(x,y,z), cwiggle(x,y,z)
+     logfreq3(x,y,z), stride(x,y,z), stride2(x,y,z,a,b,c), \
+     vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
 Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \
      vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \
      gyration(ID), ke(ID), angmom(ID,dim), torque(ID,dim), \
@@ -670,6 +670,16 @@ sequence of output timesteps:
 
 100,150,200,...950,1000,1500,2000,...9500,10000,15000,etc :pre
 
+The logfreq3(x,y,z) function generates y points between x and z (inclusive),
+that are separated by a multiplicative ratio: (z/x)^(1/(y-1)). Constraints
+are: x,z > 0, y > 1, z-x >= y-1. For eg., if logfreq3(10,25,1000) is used in
+a variable by the "fix print"_fix_print.html command, then the interval
+between 10 and 1000 is divided into 24 parts with a multiplicative
+separation of ~1.21, and it will generate the following sequence of output
+timesteps:
+
+10, 13, 15, 18, 22, 27, 32,...384, 465, 563, 682, 826, 1000 :pre
+
 The stride(x,y,z) function uses the current timestep to generate a new
 timestep.  X,y >= 0 and z > 0 and x <= y are required.  The generated
 timesteps increase in increments of z, from x to y, i.e. it generates
@@ -865,7 +875,7 @@ The {is_active()} function allows to query for active settings which
 are grouped by categories. Currently supported categories and
 arguments are:
 
-{package} (argument = {cuda} or {gpu} or {intel} or {kokkos} or {omp})
+{package} (argument = {gpu} or {intel} or {kokkos} or {omp})
 {newton} (argument = {pair} or {bond} or {any})
 {pair} (argument = {single} or {respa} or {manybody} or {tail} or {shift})
 {comm_style} (argument = {brick} or {tiled})
@@ -894,7 +904,7 @@ kspace_style pppm :pre
 
 Example 2: use r-RESPA with inner/outer cutoff, if supported by pair style, otherwise fall back to using pair and reducing the outer time step
 
-timestep $(2.0*(1.0+*is_active(pair,respa))
+timestep $(2.0*(1.0+2.0*is_active(pair,respa))
 if $(is_active(pair,respa)) then "run_style respa 4 3 2 2  improper 1 inner 2 5.5 7.0 outer 3 kspace 4" else "run_style respa 3 3 2  improper 1 pair 2 kspace 3" :pre
 
 The {is_defined()} function allows to query categories like {compute},
@@ -931,7 +941,7 @@ with ID = 243.  Or they can take a variable name, specified as v_name,
 where name is the name of the variable, like x\[v_myIndex\].  The
 variable can be of any style except {vector} or {atom} or {atomfile}
 variables.  The variable is evaluated and the result is expected to be
-numeric and is cast to an integer (i.e. 3.4 becomes 3), to use an an
+numeric and is cast to an integer (i.e. 3.4 becomes 3), to use an
 index, which must be a value from 1 to N.  Note that a "formula"
 cannot be used as the argument between the brackets, e.g. x\[243+10\]
 or x\[v_myIndex+1\] are not allowed.  To do this a single variable can
diff --git a/doc/src/velocity.txt b/doc/src/velocity.txt
index 96d3fa6dc4fa53e1b7d399fc2d774afbff682de5..4bbbc5ad45a1c9a712229abd8b1f54541197f0ae 100644
--- a/doc/src/velocity.txt
+++ b/doc/src/velocity.txt
@@ -134,7 +134,7 @@ The {mom} and {rot} keywords are used by {create}.  If mom = yes, the
 linear momentum of the newly created ensemble of velocities is zeroed;
 if rot = yes, the angular momentum is zeroed.
 
-*line
+:line
 
 If specified, the {temp} keyword is used by {create} and {scale} to
 specify a "compute"_compute.html that calculates temperature in a
@@ -157,7 +157,7 @@ is issued.
 The {bias} keyword with a {yes} setting is used by {create} and
 {scale}, but only if the {temp} keyword is also used to specify a
 "compute"_compute.html that calculates temperature in a desired way.
-If the temperature compute also calculates a velocity bias, the the
+If the temperature compute also calculates a velocity bias, the
 bias is subtracted from atom velocities before the {create} and
 {scale} operations are performed.  After the operations, the bias is
 added back to the atom velocities.  See the "Howto
diff --git a/doc/src/write_coeff.txt b/doc/src/write_coeff.txt
index 5dc4b331dedbe2940286af653c81a76654cb1347..74d19b5c3d25d1423abe2655df73dcc46048c95f 100644
--- a/doc/src/write_coeff.txt
+++ b/doc/src/write_coeff.txt
@@ -26,11 +26,9 @@ coefficients in a way, that it can be read by LAMMPS with the
 option of "write_data"_write_data.html this can be used to move
 the Coeffs sections from a data file into a separate file.
 
-NOTE: The write_coeff command is not yet fully implemented in two
-respects.  First, some pair styles do not yet write their coefficient
-information into the coeff file.  This means you will need to specify
-that information in your input script that reads the data file, via
-the "pair_coeff"_pair_coeff.html command.
+NOTE: The write_coeff command is not yet fully implemented as
+some pair styles do not output their coefficient information.
+This means you will need to add/copy this information manually.
 
 :line
 
diff --git a/doc/src/write_data.txt b/doc/src/write_data.txt
index a8168b70a0792accc9258095feb87dcb24b45093..79e855dff38ca26800cca53e1030e388fb674dfc 100644
--- a/doc/src/write_data.txt
+++ b/doc/src/write_data.txt
@@ -106,7 +106,7 @@ written for all I,J pairs where I <= J.  These coefficients will
 include any specific settings made in the input script up to that
 point.  The presence of these I != J coefficients in the data file
 will effectively turn off the default mixing rule for the pair style.
-Again, the coefficient values in the data file can can be overridden
+Again, the coefficient values in the data file can be overridden
 in the input script after reading the data file, by specifying
 additional "pair_coeff"_pair_coeff.html commands for any desired I,J
 pairs.
diff --git a/doc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css b/doc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css
index 58c5bec697626d7b2775613ff76d559d9198a7cc..5e0d43b1285de1932a545f0b1dd40b21dafc4e21 100644
--- a/doc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css
+++ b/doc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css
@@ -5092,4 +5092,17 @@ span[id*='MathJax-Span'] {
   src: local("Roboto Slab Bold"), local("RobotoSlab-Bold"), url(../fonts/RobotoSlab-Bold.ttf) format("truetype");
 }
 
+.codeblock, pre.literal-block, .rst-content .literal-block, .rst-content pre.literal-block, div[class^='highlight'] {
+  font-size: 12px;
+  line-height: 1.5;
+  display: block;
+  overflow: auto;
+  color: #404040;
+  padding: 12px 12px;
+}
+
+.codeblock,div[class^='highlight'] {
+  padding: 0;
+}
+
 /*# sourceMappingURL=theme.css.map */
diff --git a/doc/utils/sphinx-config/conf.py b/doc/utils/sphinx-config/conf.py
index 8a8b887a5e73c63fdce33d58073156bbcf45e879..29de3af156395eb74cf17ac557a91f8d93e73045 100644
--- a/doc/utils/sphinx-config/conf.py
+++ b/doc/utils/sphinx-config/conf.py
@@ -211,7 +211,9 @@ latex_elements = {
 #'pointsize': '10pt',
 
 # Additional stuff for the LaTeX preamble.
-#'preamble': '',
+'preamble': r'''
+\setcounter{tocdepth}{2}
+'''
 }
 
 # Grouping the document tree into LaTeX files. List of tuples
@@ -229,7 +231,7 @@ latex_documents = [
 # For "manual" documents, if this is true, then toplevel headings are parts,
 # not chapters.
 #latex_use_parts = False
-
+latex_toplevel_sectioning = 'part'
 # If true, show page references after internal links.
 #latex_show_pagerefs = False
 
diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index 5844dd3454f3d50d78c96115a50516e3185070a3..9a46983539f38c0f76e5ba71844b5925a54e6f61 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -57,8 +57,10 @@ alchemical
 AlCu
 Alderton
 Alejandre
+Aleksei
 alessandro
 Alessandro
+ali
 aliceblue
 Allinger
 allocaters
@@ -87,6 +89,7 @@ anharmonic
 anharmonicity
 aniso
 anisotropic
+anisotropies
 anisotropy
 ansi
 antiquewhite
@@ -98,6 +101,7 @@ api
 Appl
 Apu
 arccos
+Archlinux
 arcsin
 arg
 args
@@ -156,6 +160,8 @@ ba
 Babadi
 backcolor
 Baczewski
+Bagi
+Bagnold
 Bal
 balancer
 Balankura
@@ -198,6 +204,7 @@ Berkowitz
 berlin
 Berne
 Bertotti
+Bessarab
 Beutler
 bgq
 Bh
@@ -250,7 +257,10 @@ Boresch
 Botero
 Botu
 Bouguet
+Bourne
 boxcolor
+bp
+bpls
 bpclermont
 br
 Branduardi
@@ -284,6 +294,7 @@ Cao
 Capolungo
 Caro
 cartesian
+CasP
 Caswell
 Cates
 Cavium
@@ -343,7 +354,9 @@ Cii
 Cij
 cis
 civ
+Clang
 clearstore
+Cleary
 Clebsch
 clemson
 Clermont
@@ -370,6 +383,7 @@ Coeff
 CoefficientN
 coeffs
 Coeffs
+cohesionless
 Coker
 Colberg
 coleman
@@ -396,6 +410,7 @@ configfile
 configurational
 conformational
 Contrib
+cooperativity
 coord
 Coord
 CoordN
@@ -447,6 +462,7 @@ cuda
 Cuda
 CUDA
 CuH
+Cummins
 Curk
 customIDs
 cutbond
@@ -490,6 +506,7 @@ darkturquoise
 darkviolet
 Das
 Dasgupta
+dashpot
 dat
 datafile
 datums
@@ -527,6 +544,7 @@ Dequidt
 der
 derekt
 Derjagin
+Derjaguin
 Derlet
 Deserno
 Destree
@@ -580,6 +598,7 @@ Dmax
 dmg
 dmi
 dnf
+DNi
 Dobson
 Dodds
 dodgerblue
@@ -625,8 +644,11 @@ dVx
 dW
 dx
 dy
+dylib
+dyn
 dyne
 dynes
+dynmat
 Dyre
 Dzyaloshinskii
 Eaa
@@ -635,6 +657,7 @@ Eacn
 eam
 eangle
 eatom
+Eb
 Eba
 ebond
 ebook
@@ -643,6 +666,7 @@ ec
 Ec
 ecoul
 ecp
+Ecut
 edgeIDs
 edihed
 edim
@@ -947,6 +971,8 @@ gmail
 gmake
 gmask
 Gmask
+gneb
+GNEB
 googlemail
 Gordan
 GPa
@@ -1075,6 +1101,7 @@ Hyoungki
 hyperdynamics
 hyperradius
 hyperspherical
+hysteretic
 Ibanez
 ibar
 ibm
@@ -1113,6 +1140,7 @@ incrementing
 indenter
 indenters
 indianred
+indices
 inertiax
 inertiay
 inertiaz
@@ -1120,6 +1148,7 @@ infty
 inhomogeneities
 inhomogeneous
 init
+initio
 initializations
 InP
 inregion
@@ -1134,9 +1163,11 @@ interconvert
 interial
 interlayer
 intermolecular
+Interparticle
 interstitials
 Intr
 intra
+intralayer
 intramolecular
 ints
 inv
@@ -1152,6 +1183,7 @@ IPython
 Isele
 isenthalpic
 ish
+Ishida
 iso
 isodemic
 isoenergetic
@@ -1168,6 +1200,7 @@ Itsets
 itype
 itypeN
 iva
+Ivanov
 Ivector
 Iw
 ixcm
@@ -1224,6 +1257,7 @@ jpg
 JPG
 jpl
 Jth
+jtranch
 jtype
 jtypeN
 Juelich
@@ -1239,6 +1273,7 @@ Jy
 Jz
 jzimmer
 Kadiri
+Kai
 Kalia
 Kamberaj
 Kapfer
@@ -1251,6 +1286,7 @@ Katsnelson
 Katsura
 Kaufmann
 Kawata
+Kaxiras
 Kayser
 kb
 kB
@@ -1261,6 +1297,7 @@ kcl
 Kd
 KDevelop
 ke
+kepler
 KE
 Keblinski
 keflag
@@ -1268,6 +1305,7 @@ Keir
 Kelchner
 Kelkar
 Kemper
+keV
 Keyes
 Khersonskii
 Khrapak
@@ -1294,6 +1332,7 @@ Kondor
 konglt
 Koning
 Kooser
+Korn
 Koskinen
 Koster
 Kosztin
@@ -1367,6 +1406,7 @@ Lenart
 lennard
 Lennard
 Lenosky
+Lenz
 Lett
 Leuven
 Leven
@@ -1378,12 +1418,14 @@ libAtoms
 libawpmd
 libch
 libcolvars
+libcurl
 libdir
 libdl
 libfftw
 libgcc
 libgpu
 libjpeg
+libkim
 liblammps
 Liblammps
 liblink
@@ -1444,6 +1486,7 @@ logfile
 logfreq
 logicals
 Lomdahl
+Lond
 lookups
 Lookups
 LoopVar
@@ -1459,6 +1502,7 @@ lsfftw
 ltbbmalloc
 lubricateU
 lucy
+Luding
 Lussetti
 Lustig
 lwsock
@@ -1484,6 +1528,7 @@ Makefile
 makefiles
 Makefiles
 makelist
+makepkg
 Makse
 malloc
 Malolepsza
@@ -1497,6 +1542,7 @@ manybody
 MANYBODY
 Maras
 Marrink
+Marroquin
 Marsaglia
 Marseille
 Martyna
@@ -1508,12 +1554,14 @@ masstotal
 Masuhiro
 Matchett
 Materias
+mathbf
 matlab
 matplotlib
 Mattox
 Mattson
 maxangle
 maxbond
+maxelt
 maxeval
 maxfiles
 Maxfoo
@@ -1596,12 +1644,14 @@ Mie
 Mikami
 Militzer
 Minary
+Mindlin
 mincap
 mingw
 minima
 minimizations
 minimizer
 minimizers
+minneigh
 minorder
 minSteps
 mintcream
@@ -1666,6 +1716,7 @@ mpiexec
 mpiio
 mpirun
 mplayer
+mps
 Mryglod
 mscg
 MSCG
@@ -1949,6 +2000,7 @@ oneway
 onn
 ons
 OO
+opencl
 openKIM
 OpenMP
 openmp
@@ -1967,6 +2019,7 @@ ortho
 orthonormal
 orthorhombic
 ot
+Otype
 Ouldridge
 outfile
 outmost
@@ -2063,6 +2116,7 @@ picograms
 picosecond
 picoseconds
 pid
+Pieniazek
 Pieter
 pimd
 Pisarev
@@ -2083,6 +2137,7 @@ Pmolrotate
 Pmoltrans
 pN
 png
+Podhorszki
 Poiseuille
 Polak
 polarizabilities
@@ -2280,6 +2335,7 @@ rg
 Rg
 Rhaphson
 rheological
+rheology
 rhodo
 Rhodo
 rhodopsin
@@ -2331,6 +2387,7 @@ rNEMD
 ro
 Rochus
 Rockett
+Rodrigues
 Rohart
 Ronchetti
 Rosati
@@ -2429,12 +2486,14 @@ Shardlow
 shawn
 Shen
 Shenderova
+Shi
 Shiga
 Shinoda
 shockvel
 si
 SiC
 Siepmann
+Sievers
 Sij
 Sikandar
 Silbert
@@ -2454,6 +2513,7 @@ sizex
 sj
 sjplimp
 sjtu
+Skomski
 skyblue
 Skylake
 slateblue
@@ -2591,10 +2651,12 @@ Tadmor
 Tafipolsky
 tagID
 tagint
+Tainter
 Tait
 taitwater
 Tajkhorshid
 Tamaskovics
+Tanaka
 tanh
 Tartakovsky
 taskset
@@ -2649,6 +2711,7 @@ Thiaville
 Thibaudeau
 Thijsse
 Thirumalai
+threebody
 thrid
 ThunderX
 thylakoid
@@ -2682,6 +2745,7 @@ tokyo
 tol
 toolchain
 topologies
+Toporov
 Torder
 torsions
 Tosi
@@ -2726,11 +2790,13 @@ Tsrd
 Tstart
 tstat
 Tstop
+Tsuji
 Tsuzuki
 tt
 Tt
 TThis
 ttm
+ttol
 tu
 Tuckerman
 tue
@@ -2776,10 +2842,12 @@ unimodal
 unitless
 Universite
 unix
+unmaintained
 unoptimized
 unpadded
 unphysical
 unphysically
+unreacted
 unscaled
 unsets
 unsmoothed
@@ -2802,6 +2870,7 @@ utsa
 Uttormark
 uvm
 uwo
+Uzdin
 vacf
 valent
 Valeriu
@@ -2901,7 +2970,7 @@ wB
 Wbody
 webpage
 Weckner
-WeinenE
+WeinanE
 Wennberg
 Westview
 wget
@@ -2911,6 +2980,7 @@ Wi
 Wicaksono
 wih
 Wijk
+Wikipedia
 wildcard
 Wildcard
 Wirnsberger
diff --git a/examples/HEAT/README b/examples/HEAT/README
index b827838091eebce00e03c5d0c1569c158dd80434..89ad04398f2101a586adbc86293a6eadad76a7fc 100644
--- a/examples/HEAT/README
+++ b/examples/HEAT/README
@@ -1,6 +1,6 @@
 This directory contains 4 input scripts for carrying out NEMD
 simulations of thermal gradients for a Lennard-Jones fluid and SPC/E
-water using the HEX/a (fix heat) and eHEX/a (fix ehex) algorithms.
+water using the HEX/a (fix ehex w/ hex option) and eHEX/a (fix ehex) algorithms.
 
 All input scripts are part of the supplementary (open access) material
 supporting the publication of Wirnsberger et al. [J. Chem. Phys. 143,
diff --git a/examples/README b/examples/README
index e03dacec82cb55282b34d72782e9a719471a440b..dbfdb3363b159cb29787ba9197a6a67fc92ad058 100644
--- a/examples/README
+++ b/examples/README
@@ -64,37 +64,37 @@ balance:  dynamic load balancing, 2d system
 body:     body particles, 2d system
 cmap:     CMAP 5-body contributions to CHARMM force field
 colloid:  big colloid particles in a small particle solvent, 2d system
-comb:	  models using the COMB potential
+comb:     models using the COMB potential
 coreshell: adiabatic core/shell model
 controller: use of fix controller as a thermostat
-crack:	  crack propagation in a 2d solid
+crack:    crack propagation in a 2d solid
 deposit:  deposition of atoms and molecules onto a 3d substrate
 dipole:   point dipolar particles, 2d system
 dreiding: methanol via Dreiding FF
 eim:      NaCl using the EIM potential
 ellipse:  ellipsoidal particles in spherical solvent, 2d system
-flow:	  Couette and Poiseuille flow in a 2d channel
+flow:     Couette and Poiseuille flow in a 2d channel
 friction: frictional contact of spherical asperities between 2d surfaces
 gcmc:     Grand Canonical Monte Carlo (GCMC) via the fix gcmc command
 granregion: use of fix wall/region/gran as boundary on granular particles
 hugoniostat: Hugoniostat shock dynamics
 hyper:    global and local hyperdynamics of diffusion on Pt surface
-indent:	  spherical indenter into a 2d solid
+indent:   spherical indenter into a 2d solid
 kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
 latte:    use of LATTE density-functional tight-binding quantum code
-meam:	  MEAM test for SiC and shear (same as shear examples)
-melt:	  rapid melt of 3d LJ system
+meam:     MEAM test for SiC and shear (same as shear examples)
+melt:     rapid melt of 3d LJ system
 message:  client/server coupling of 2 codes
 micelle:  self-assembly of small lipid-like molecules into 2d bilayers
-min:	  energy minimization of 2d LJ melt
+min:      energy minimization of 2d LJ melt
 mscg:     parameterize a multi-scale coarse-graining (MSCG) model
-msst:	  MSST shock dynamics
+msst:     MSST shock dynamics
 nb3b:     use of nonbonded 3-body harmonic pair style
-neb:	  nudged elastic band (NEB) calculation for barrier finding
-nemd:	  non-equilibrium MD of 2d sheared system
+neb:      nudged elastic band (NEB) calculation for barrier finding
+nemd:     non-equilibrium MD of 2d sheared system
 obstacle: flow around two voids in a 2d channel
 peptide:  dynamics of a small solvated peptide chain (5-mer)
-peri:	  Peridynamic model of cylinder impacted by indenter
+peri:     Peridynamic model of cylinder impacted by indenter
 pour:     pouring of granular particles into a 3d box, then chute flow
 prd:      parallel replica dynamics of vacancy diffusion in bulk Si
 python:   use of PYTHON package to invoke Python code from input script
@@ -107,6 +107,7 @@ srd:      stochastic rotation dynamics (SRD) particles as solvent
 snap:     NVE dynamics for BCC tantalum crystal using SNAP potential
 streitz:  Streitz-Mintmire potential for Al2O3
 tad:      temperature-accelerated dynamics of vacancy diffusion in bulk Si
+threebody: regression test input for a variety of manybody potentials
 vashishta: models using the Vashishta potential
 voronoi:  Voronoi tesselation via compute voronoi/atom command
 
@@ -117,9 +118,7 @@ cp ../../src/lmp_mpi .           # copy LAMMPS executable to this dir
 lmp_mpi -in in.indent              # run the problem
 
 Running the simulation produces the files {dump.indent} and
-{log.lammps}.  You can visualize the dump file as follows:
-
-../../tools/xmovie/xmovie -scale dump.indent
+{log.lammps}.
 
 If you uncomment the dump image line(s) in the input script a series
 of JPG images will be produced by the run.  These can be viewed
diff --git a/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp b/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
index 3ff0b1cadf67b5f729ddac8876141a8930a8a799..3f3483855368a19b10105471009c6bca7eb88e73 100644
--- a/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
+++ b/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
@@ -25,16 +25,18 @@ velocity 	all create 100 4928459 rot yes dist gaussian
 
 #pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0
 pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
-pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
-pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
+pair_coeff 	* * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co
+#pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
+pair_coeff 	* * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567
 #pair_coeff 	* * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652  
 
 neighbor 	0.1 bin
 neigh_modify 	every 10 check yes delay 20
 
 #fix 		1 all precession/spin zeeman 1.0 0.0 0.0 1.0
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
+fix 		1 all precession/spin anisotropy 0.01 0.0 0.0 1.0
+#fix 		2 all langevin/spin 0.0 0.0 21
+fix 		2 all langevin/spin 0.0 0.1 21
 fix 		3 all nve/spin lattice yes
 
 timestep	0.0001
diff --git a/examples/SPIN/dipole_spin/Fe_Mishin2006.eam.alloy b/examples/SPIN/dipole_spin/Fe_Mishin2006.eam.alloy
new file mode 120000
index 0000000000000000000000000000000000000000..a93b43f72ae3ed45fc31cb3c07a0d1f77f79ad04
--- /dev/null
+++ b/examples/SPIN/dipole_spin/Fe_Mishin2006.eam.alloy
@@ -0,0 +1 @@
+../iron/Fe_Mishin2006.eam.alloy
\ No newline at end of file
diff --git a/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat b/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat
new file mode 100644
index 0000000000000000000000000000000000000000..58134f244466c5a60bb103b73e6f8ba61414e14b
--- /dev/null
+++ b/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat
@@ -0,0 +1,5 @@
+2.4824 0.01948336
+2.8665 0.01109
+4.0538 -0.0002176
+4.753 -0.001714
+4.965 -0.001986
diff --git a/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py b/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py
new file mode 100644
index 0000000000000000000000000000000000000000..ccf84fc233bbc4a29bcc01ab4d6336e00ba2ab6d
--- /dev/null
+++ b/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py
@@ -0,0 +1,32 @@
+#Program fitting the exchange interaction
+#Model curve: Bethe-Slater function
+import numpy as np, pylab, tkinter
+import matplotlib.pyplot as plt
+from scipy.optimize import curve_fit
+from decimal import *
+
+print("Loop begin")
+
+#Definition of the Bethe-Slater function
+def func(x,a,b,c):
+    return 4*a*((x/c)**2)*(1-b*(x/c)**2)*np.exp(-(x/c)**2)
+
+#Exchange coeff table (data to fit)
+rdata, Jdata = np.loadtxt('exchange_bcc_iron.dat', usecols=(0,1), unpack=True)
+plt.plot(rdata, Jdata, 'b-', label='data')
+
+#Perform the fit
+popt, pcov = curve_fit(func, rdata, Jdata, bounds=(0, [500.,5.,5.]))
+plt.plot(rdata, func(rdata, *popt), 'r--', label='fit')
+
+#Print the fitted params
+print("Parameters: a={:.10} (in meV), b={:.10} (adim), c={:.10} (in Ang)".format(*popt))
+
+#Ploting the result
+plt.xlabel('r_ij')
+pylab.xlim([0,6.5])
+plt.ylabel('J_ij')
+plt.legend()
+plt.show()
+
+print("Loop end")
diff --git a/examples/SPIN/dipole_spin/fe_dd.dat b/examples/SPIN/dipole_spin/fe_dd.dat
new file mode 100644
index 0000000000000000000000000000000000000000..a4b4c9a0d7c06a14f1a42cd33846405299e368a9
--- /dev/null
+++ b/examples/SPIN/dipole_spin/fe_dd.dat
@@ -0,0 +1,19 @@
+            6            8
+ Optimal parameter set
+            1    4.100199340884814       F
+            2    1.565647547483517       F
+            1   0.9332056681088162       T    3.000000000000000     
+            2   -1.162558782567700       T    2.866666666666670     
+            3  -0.3502026949249225       T    2.733333333333330     
+            4   0.4287820835430028       T    2.600000000000000     
+            5    4.907925057809273       T    2.400000000000000     
+            6   -5.307049068415304       T    2.300000000000000     
+            1  -0.1960674387419232       F    4.100000000000000     
+            2   0.3687525935422963       F    3.800000000000000     
+            3   -1.505333614924853       F    3.500000000000000     
+            4    4.948907078156191       T    3.200000000000000     
+            5   -4.894613262753399       T    2.900000000000000     
+            6    3.468897724782442       T    2.600000000000000     
+            7   -1.792218099820337       T    2.400000000000000     
+            8    80.22069592246987       T    2.300000000000000     
+
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut b/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
new file mode 100644
index 0000000000000000000000000000000000000000..a409fe05639b07780db98a5b3e7affae56ee505e
--- /dev/null
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
@@ -0,0 +1,59 @@
+# bcc iron in a 3d periodic box
+
+clear 
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	bcc 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/cut 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff      * * spin/dipole/cut 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald b/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
new file mode 100644
index 0000000000000000000000000000000000000000..58b44b55fe0362a826ab7fccf1796f6403205026
--- /dev/null
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
@@ -0,0 +1,61 @@
+# bcc iron in a 3d periodic box
+
+clear 
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	bcc 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	ewald/dipole/spin 1.0e-4
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
diff --git a/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm b/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
new file mode 100644
index 0000000000000000000000000000000000000000..28d7e4a4bc0bdac60778aba65e4833c5af4af917
--- /dev/null
+++ b/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
@@ -0,0 +1,62 @@
+# bcc iron in a 3d periodic box
+
+clear 
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	bcc 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5 spin/dipole/long 8.0
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+pair_coeff	* * spin/dipole/long 8.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+kspace_style 	pppm/dipole/spin 1.0e-4
+kspace_modify 	compute yes
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
diff --git a/examples/SPIN/gneb/README b/examples/SPIN/gneb/README
new file mode 100644
index 0000000000000000000000000000000000000000..9d43c775b6d74f1f6c2b39c40b3664825206dae1
--- /dev/null
+++ b/examples/SPIN/gneb/README
@@ -0,0 +1,13 @@
+Perform geodesic NEB calculations for spin configurations.
+The two examples are:
+- the magnetic switching of an iron nanoisland
+- the collapse of a magnetic skyrmion
+
+Run those examples as:
+
+mpirun -np 3 lmp_mpi -in in.gneb.iron -partition 3x1
+
+You should be able to use any number of replicas >= 3.
+
+In the interpolate/ directory, a c routine is provided to
+interpolate the MEP. 
diff --git a/examples/SPIN/gneb/iron/final.iron_spin b/examples/SPIN/gneb/iron/final.iron_spin
new file mode 100644
index 0000000000000000000000000000000000000000..aa1cbae770270071d190fc4eb54d39b3a8cce35b
--- /dev/null
+++ b/examples/SPIN/gneb/iron/final.iron_spin
@@ -0,0 +1,68 @@
+32
+1 2.2000000000000002e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+2 2.2000000000000002e+00 1.4332499999999999e+00 1.4332499999999999e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+3 2.2000000000000002e+00 2.8664999999999998e+00 0.0000000000000000e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+4 2.2000000000000002e+00 4.2997499999999995e+00 1.4332499999999999e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+5 2.2000000000000002e+00 5.7329999999999997e+00 0.0000000000000000e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+6 2.2000000000000002e+00 7.1662499999999998e+00 1.4332499999999999e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+7 2.2000000000000002e+00 8.5994999999999990e+00 0.0000000000000000e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+8 2.2000000000000002e+00 1.0032750000000000e+01 1.4332499999999999e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+9 2.2000000000000002e+00 0.0000000000000000e+00 2.8664999999999998e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+10 2.2000000000000002e+00 2.8664999999999998e+00 2.8664999999999998e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+11 2.2000000000000002e+00 5.7329999999999997e+00 2.8664999999999998e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+12 2.2000000000000002e+00 8.5994999999999990e+00 2.8664999999999998e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+13 2.2000000000000002e+00 1.4332499999999999e+00 4.2997499999999995e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+14 2.2000000000000002e+00 4.2997499999999995e+00 4.2997499999999995e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+15 2.2000000000000002e+00 7.1662499999999998e+00 4.2997499999999995e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+16 2.2000000000000002e+00 1.0032750000000000e+01 4.2997499999999995e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+17 2.2000000000000002e+00 0.0000000000000000e+00 5.7329999999999997e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+18 2.2000000000000002e+00 1.4332499999999999e+00 7.1662499999999998e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+19 2.2000000000000002e+00 2.8664999999999998e+00 5.7329999999999997e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+20 2.2000000000000002e+00 4.2997499999999995e+00 7.1662499999999998e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+21 2.2000000000000002e+00 5.7329999999999997e+00 5.7329999999999997e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+22 2.2000000000000002e+00 7.1662499999999998e+00 7.1662499999999998e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+23 2.2000000000000002e+00 8.5994999999999990e+00 5.7329999999999997e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+24 2.2000000000000002e+00 1.0032750000000000e+01 7.1662499999999998e+00 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+25 2.2000000000000002e+00 0.0000000000000000e+00 8.5994999999999990e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+26 2.2000000000000002e+00 2.8664999999999998e+00 8.5994999999999990e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+27 2.2000000000000002e+00 5.7329999999999997e+00 8.5994999999999990e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+28 2.2000000000000002e+00 8.5994999999999990e+00 8.5994999999999990e+00 0.0000000000000000e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+29 2.2000000000000002e+00 1.4332499999999999e+00 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+30 2.2000000000000002e+00 4.2997499999999995e+00 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+31 2.2000000000000002e+00 7.1662499999999998e+00 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+32 2.2000000000000002e+00 1.0032750000000000e+01 1.0032750000000000e+01 1.4332499999999999e+00 -1.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
diff --git a/examples/SPIN/gneb/iron/in.gneb.iron b/examples/SPIN/gneb/iron/in.gneb.iron
new file mode 100644
index 0000000000000000000000000000000000000000..95e7071cb07f0ee91fff44d7a4b8b2016b53c635
--- /dev/null
+++ b/examples/SPIN/gneb/iron/in.gneb.iron
@@ -0,0 +1,50 @@
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+# setting mass, mag. moments, and interactions for bcc iron
+# (mass not necessary for fixed lattice calculation)
+
+read_data       initial.iron_spin
+mass		1 55.845
+
+pair_style 	spin/exchange 3.5
+pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.1 0.0 0.0 1.0 anisotropy 0.0001 1.0 0.0 0.0 
+fix_modify	1 energy yes
+fix		3 all neb/spin 1.0  
+
+timestep	0.0001
+thermo		100
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+variable	u universe 1 2 3 4
+dump 		1 all custom 200 dump.$u type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+neb/spin	1.0e-12 1.0e-12 200000 100000 1000 final final.iron_spin verbose
diff --git a/examples/SPIN/gneb/iron/initial.iron_spin b/examples/SPIN/gneb/iron/initial.iron_spin
new file mode 100644
index 0000000000000000000000000000000000000000..1d28afe4000979fe55050d10831ad3855439689d
--- /dev/null
+++ b/examples/SPIN/gneb/iron/initial.iron_spin
@@ -0,0 +1,82 @@
+LAMMPS data file via write_data, version 4 Jan 2019, timestep = 0
+
+32 atoms
+1 atom types
+
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diff --git a/examples/SPIN/gneb/skyrmion/final.skyrmion b/examples/SPIN/gneb/skyrmion/final.skyrmion
new file mode 100644
index 0000000000000000000000000000000000000000..4ff51f63765636aa1565cc78035e1521ded25e58
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diff --git a/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion b/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
new file mode 100644
index 0000000000000000000000000000000000000000..37075c2e30c39a1098eed512b991413255333398
--- /dev/null
+++ b/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
@@ -0,0 +1,47 @@
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+# setting mass, mag. moments, and interactions for bcc iron
+# (mass not necessary for fixed lattice calculation)
+
+read_data       initial.skyrmion
+mass		1 55.845
+
+pair_style 	hybrid/overlay spin/exchange 3.1 spin/dmi 3.1
+pair_coeff 	* * spin/exchange exchange 3.1 0.01593 0.06626915552 1.211
+pair_coeff 	* * spin/dmi dmi 3.1 0.12e-03 0.0 0.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 5e-05 0.0 0.0 1.0 
+fix_modify	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+fix		3 all neb/spin 1.0  
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+variable	u universe 1 2 3 4
+dump 		1 all custom 1 dump.$u type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+neb/spin	1.0e-9 1.0e-9 10000 10000 10 final final.skyrmion
diff --git a/examples/SPIN/gneb/skyrmion/initial.skyrmion b/examples/SPIN/gneb/skyrmion/initial.skyrmion
new file mode 100644
index 0000000000000000000000000000000000000000..f940aee18231a5a56a86cf5f273dab9b00471cae
--- /dev/null
+++ b/examples/SPIN/gneb/skyrmion/initial.skyrmion
@@ -0,0 +1,818 @@
+LAMMPS data file via write_data, version 28 Feb 2019, timestep = 6
+
+400 atoms
+1 atom types
+
+0.0000000000000000e+00 6.0000000000000000e+01 xlo xhi
+0.0000000000000000e+00 6.0000000000000000e+01 ylo yhi
+0.0000000000000000e+00 3.0000000000000000e+00 zlo zhi
+
+Masses
+
+1 55.845
+
+Atoms # spin
+
+1 1 2.5000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 -3.9693242391277868e-03 -3.9693242391277929e-03 9.9998424434096433e-01 0 0 0
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+41 1 2.5000000000000000e+00 6.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 -1.9561861499557517e-02 -6.5828744882500201e-03 9.9978697697966845e-01 0 0 0
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+101 1 2.5000000000000000e+00 1.5000000000000000e+01 0.0000000000000000e+00 0.0000000000000000e+00 -3.5634992015801843e-02 -1.8429703183501425e-02 9.9919492261750509e-01 0 0 0
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+201 1 2.5000000000000000e+00 3.0000000000000000e+01 0.0000000000000000e+00 0.0000000000000000e+00 7.2971667669136028e-03 -3.7860607272964066e-02 9.9925638640646086e-01 0 0 0
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diff --git a/examples/SPIN/iron/in.spin.iron b/examples/SPIN/iron/in.spin.iron
index 1db5007dffd87c33898acf752575ff3c31eaff49..bb1b0e1b4d4305d9fcb1c4d5eca4d86b4ba5efae 100644
--- a/examples/SPIN/iron/in.spin.iron
+++ b/examples/SPIN/iron/in.spin.iron
@@ -19,7 +19,8 @@ create_atoms 	1 box
 
 mass		1 55.845
 
-set 		group all spin/random 31 2.2
+#set 		group all spin/random 31 2.2
+set 		group all spin 2.2 0.0 0.0 1.0
 velocity 	all create 100 4928459 rot yes dist gaussian
 
 pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
diff --git a/examples/SPIN/iron/in.spin.iron_cubic b/examples/SPIN/iron/in.spin.iron_cubic
new file mode 100644
index 0000000000000000000000000000000000000000..d4703a2959179a52699aa86ae6eed9d3d1351ca1
--- /dev/null
+++ b/examples/SPIN/iron/in.spin.iron_cubic
@@ -0,0 +1,60 @@
+# bcc iron in a 3d periodic box
+
+clear 
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	bcc 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
+# min_style 	spin
+# min_modify	alpha_damp 1.0 discrete_factor 10
+# minimize 	1.0e-16 1.0e-16 10000 10000
diff --git a/examples/SPIN/iron/log.11May18.spin.iron.g++.1 b/examples/SPIN/iron/log.11May18.spin.iron.g++.1
deleted file mode 100644
index 1b27478002833f74c99fc56572e8bc786c9f3b01..0000000000000000000000000000000000000000
--- a/examples/SPIN/iron/log.11May18.spin.iron.g++.1
+++ /dev/null
@@ -1,1115 +0,0 @@
-LAMMPS (11 May 2018)
-# bcc iron in a 3d periodic box
-
-clear
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	bcc 2.8665
-Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
-  1 by 1 by 1 MPI processor grid
-create_atoms 	1 box
-Created 250 atoms
-  Time spent = 0.000727415 secs
-
-# setting mass, mag. moments, and interactions for bcc iron
-
-mass		1 55.845
-
-set 		group all spin/random 31 2.2
-  250 settings made for spin/random
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
-pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
-pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		50000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.77337
-  ghost atom cutoff = 5.77337
-  binsize = 2.88668, bins = 5 5 5
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.319 | 7.319 | 7.319 Mbytes
-Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
-       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
-      50        0.005  0.076456974    9316.7659    96.663685  -0.86504718    3.1111957   -1070.7504   -1067.6392 
-     100         0.01  0.076456983    9488.3743    86.965803  -0.88035771    2.7990619   -1070.4383   -1067.6392 
-     150        0.015  0.076456973    9589.0566    72.421197   -0.8996913    2.3309324   -1069.9702   -1067.6392 
-     200         0.02  0.076456944    9415.3095    55.633188    -0.921682    1.7905973   -1069.4298   -1067.6392 
-     250        0.025  0.076456953    8878.9394    39.802206  -0.94649004    1.2810649   -1068.9203   -1067.6392 
-     300         0.03  0.076457027    8203.3388    27.882295  -0.97253854    0.8974133   -1068.5366   -1067.6392 
-     350        0.035  0.076457103     7720.309    21.776538  -0.99708692   0.70089477   -1068.3401   -1067.6392 
-     400         0.04  0.076457117    7531.0683    21.857102   -1.0190244   0.70348778   -1068.3427   -1067.6392 
-     450        0.045  0.076457072    7479.8073    26.959407   -1.0389343   0.86770942   -1068.5069   -1067.6392 
-     500         0.05  0.076457001    7461.6683     34.92521   -1.0582008     1.124095   -1068.7633   -1067.6392 
-     550        0.055  0.076456962    7396.1112    43.405912   -1.0785156     1.397053   -1069.0363   -1067.6392 
-     600         0.06  0.076456997     7121.894    50.544844    -1.102048     1.626825   -1069.2661   -1067.6392 
-     650        0.065  0.076457079    6683.4805    55.261218   -1.1296588    1.7786252   -1069.4179   -1067.6392 
-     700         0.07  0.076457136    6313.6896     57.25083   -1.1595102    1.8426624   -1069.4819   -1067.6392 
-     750        0.075  0.076457132    6199.0363    56.934336   -1.1893875    1.8324758   -1069.4717   -1067.6392 
-     800         0.08  0.076457116     6265.997    55.266343   -1.2181223    1.7787901    -1069.418   -1067.6392 
-     850        0.085  0.076457116    6326.5886    53.376453   -1.2443326    1.7179626   -1069.3572   -1067.6392 
-     900         0.09  0.076457121    6336.1261    52.279557   -1.2676425    1.6826581   -1069.3219   -1067.6392 
-     950        0.095  0.076457122    6288.4204    52.667743   -1.2902335    1.6951522   -1069.3344   -1067.6392 
-    1000          0.1  0.076457135    6122.1622    54.684094    -1.314147      1.76005   -1069.3993   -1067.6392 
-    1050        0.105  0.076457155    5830.2219    57.880399   -1.3392396    1.8629256   -1069.5022   -1067.6392 
-    1100         0.11  0.076457162    5477.4214    61.505616   -1.3662331     1.979606   -1069.6188   -1067.6392 
-    1150        0.115  0.076457195    5194.1423    64.810972   -1.3984474    2.0859914   -1069.7252   -1067.6392 
-    1200         0.12  0.076457219    5096.2484    67.147472    -1.438326    2.1611935   -1069.8004   -1067.6392 
-    1250        0.125  0.076457214    5180.7444    67.957533   -1.4822383    2.1872659   -1069.8265   -1067.6392 
-    1300         0.13  0.076457208    5332.4483     66.96652   -1.5226303    2.1553694   -1069.7946   -1067.6392 
-    1350        0.135  0.076457225    5441.1287    64.471602   -1.5553539    2.0750686   -1069.7143   -1067.6392 
-    1400         0.14  0.076457244    5466.8622    61.292592   -1.5804721    1.9727496    -1069.612   -1067.6392 
-    1450        0.145   0.07645724     5403.309    58.518161   -1.6006864    1.8834524   -1069.5227   -1067.6392 
-    1500         0.15  0.076457224    5275.2171      57.1713   -1.6196756    1.8401027   -1069.4793   -1067.6392 
-    1550        0.155  0.076457217    5122.7481    57.878063   -1.6407322    1.8628504   -1069.5021   -1067.6392 
-    1600         0.16  0.076457217    4968.5049    60.639452   -1.6657935    1.9517278    -1069.591   -1067.6392 
-    1650        0.165  0.076457208    4850.1861    64.668839    -1.690847    2.0814168   -1069.7206   -1067.6392 
-    1700         0.17  0.076457217    4809.0194    68.693586   -1.7087416    2.2109564   -1069.8502   -1067.6392 
-    1750        0.175  0.076457274    4835.8611    71.611033   -1.7188587    2.3048567   -1069.9441   -1067.6392 
-    1800         0.18  0.076457318    4929.7428    72.815077   -1.7280248    2.3436098   -1069.9828   -1067.6392 
-    1850        0.185  0.076457279    5036.6365    72.102335   -1.7426092    2.3206696   -1069.9599   -1067.6392 
-    1900         0.19  0.076457222    5116.2436    69.579977   -1.7638235    2.2394856   -1069.8787   -1067.6392 
-    1950        0.195  0.076457228    5207.2334    65.715745   -1.7895824    2.1151122   -1069.7543   -1067.6392 
-    2000          0.2  0.076457288    5216.0413    61.340972   -1.8174915    1.9743068   -1069.6135   -1067.6392 
-    2050        0.205  0.076457267    5023.1601    57.468628   -1.8456914    1.8496724   -1069.4889   -1067.6392 
-    2100         0.21  0.076457198    4748.7818    55.033266   -1.8742291    1.7712884   -1069.4105   -1067.6392 
-    2150        0.215  0.076457199    4558.1302    54.573806   -1.9035225    1.7565003   -1069.3957   -1067.6392 
-    2200         0.22  0.076457185    4483.1644    56.074241   -1.9322669     1.804793    -1069.444   -1067.6392 
-    2250        0.225  0.076457114    4430.1583      59.0552   -1.9577399    1.9007374     -1069.54   -1067.6392 
-    2300         0.23  0.076457092    4353.7973    62.874849   -1.9801275    2.0236758   -1069.6629   -1067.6392 
-    2350        0.235  0.076457145    4303.5275    66.892738   -2.0022129    2.1529947   -1069.7922   -1067.6392 
-    2400         0.24  0.076457171    4258.6889    70.426826   -2.0233072    2.2667421    -1069.906   -1067.6392 
-    2450        0.245  0.076457169    4178.5775    72.910422   -2.0405304    2.3466785   -1069.9859   -1067.6392 
-    2500         0.25   0.07645717     4114.786    74.106367   -2.0531755    2.3851709   -1070.0244   -1067.6392 
-    2550        0.255  0.076457136    4067.5017    74.169349   -2.0634674    2.3871981   -1070.0264   -1067.6392 
-    2600         0.26  0.076457099    4045.3324    73.586199   -2.0755814    2.3684289   -1070.0077   -1067.6392 
-    2650        0.265  0.076457099     4137.898    72.914235   -2.0913646    2.3468012    -1069.986   -1067.6392 
-    2700         0.27  0.076457106     4332.063    72.583192   -2.1091075    2.3361464   -1069.9754   -1067.6392 
-    2750        0.275   0.07645709    4465.1953    72.814559    -2.125099    2.3435931   -1069.9828   -1067.6392 
-    2800         0.28  0.076457051    4516.5192    73.652154   -2.1371914    2.3705517   -1070.0098   -1067.6392 
-    2850        0.285  0.076457019    4555.5962    75.060211   -2.1489378    2.4158711   -1070.0551   -1067.6392 
-    2900         0.29  0.076457069    4544.2734    76.844795   -2.1667679    2.4733094   -1070.1125   -1067.6392 
-    2950        0.295  0.076457172    4460.2109     78.48171   -2.1924421    2.5259948   -1070.1652   -1067.6392 
-    3000          0.3  0.076457219    4323.2746     79.20682   -2.2209955     2.549333   -1070.1886   -1067.6392 
-    3050        0.305  0.076457213     4155.688    78.543529   -2.2505299    2.5279844   -1070.1672   -1067.6392 
-    3100         0.31  0.076457203    3969.6188    76.554785   -2.2858382    2.4639752   -1070.1032   -1067.6392 
-    3150        0.315  0.076457187     3761.432    73.396149   -2.3245055     2.362312   -1070.0015   -1067.6392 
-    3200         0.32  0.076457142    3602.8035    69.313196   -2.3577056     2.230899   -1069.8701   -1067.6392 
-    3250        0.325  0.076457116     3505.707    65.032482   -2.3836874    2.0931209   -1069.7324   -1067.6392 
-    3300         0.33   0.07645716    3424.8795    61.551539   -2.4057167    1.9810841   -1069.6203   -1067.6392 
-    3350        0.335  0.076457236    3335.9672    59.709703   -2.4251844    1.9218031    -1069.561   -1067.6392 
-    3400         0.34  0.076457298    3238.0186    60.026953   -2.4425501    1.9320141   -1069.5712   -1067.6392 
-    3450        0.345  0.076457297    3185.0674    62.613739   -2.4593531    2.0152718   -1069.6545   -1067.6392 
-    3500         0.35   0.07645723    3197.4087    67.011871   -2.4756907    2.1568291   -1069.7961   -1067.6392 
-    3550        0.355  0.076457177    3216.1428    72.316209   -2.4911379    2.3275533   -1069.9668   -1067.6392 
-    3600         0.36  0.076457165    3241.0326    77.550071   -2.5083858    2.4960092   -1070.1352   -1067.6392 
-    3650        0.365  0.076457168    3309.6874    81.877688   -2.5306273    2.6352969   -1070.2745   -1067.6392 
-    3700         0.37   0.07645718     3350.748    84.764646   -2.5595247    2.7282159   -1070.3674   -1067.6392 
-    3750        0.375   0.07645721     3368.085    86.031781   -2.5938559    2.7689996   -1070.4082   -1067.6392 
-    3800         0.38  0.076457208    3425.3173    85.733048   -2.6266899    2.7593847   -1070.3986   -1067.6392 
-    3850        0.385  0.076457165    3420.4429    84.240647   -2.6514805    2.7113506   -1070.3506   -1067.6392 
-    3900         0.39  0.076457146    3323.0403    82.320886   -2.6700966    2.6495616   -1070.2888   -1067.6392 
-    3950        0.395  0.076457179    3273.2625    80.780607   -2.6892405    2.5999865   -1070.2392   -1067.6392 
-    4000          0.4  0.076457229    3313.2671     79.92769    -2.709641    2.5725347   -1070.2118   -1067.6392 
-    4050        0.405  0.076457272    3381.1117    79.663389   -2.7291493     2.564028   -1070.2033   -1067.6392 
-    4100         0.41   0.07645731    3373.3005    79.895158   -2.7514856    2.5714877   -1070.2107   -1067.6392 
-    4150        0.415  0.076457296    3279.6989    80.402828   -2.7788004    2.5878274   -1070.2271   -1067.6392 
-    4200         0.42  0.076457251    3197.0478    80.770336   -2.8064773     2.599656   -1070.2389   -1067.6392 
-    4250        0.425  0.076457243    3160.9065    80.756747   -2.8307967    2.5992186   -1070.2385   -1067.6392 
-    4300         0.43  0.076457282    3173.9599    80.446488    -2.852192    2.5892326   -1070.2285   -1067.6392 
-    4350        0.435  0.076457289    3185.8003    80.110494   -2.8726607    2.5784184   -1070.2177   -1067.6392 
-    4400         0.44  0.076457262    3166.3054    80.045036   -2.8936787    2.5763116   -1070.2155   -1067.6392 
-    4450        0.445  0.076457226    3177.4332    80.500194   -2.9171408    2.5909612   -1070.2302   -1067.6392 
-    4500         0.45  0.076457174    3238.8362    81.573722   -2.9447352    2.6255135   -1070.2647   -1067.6392 
-    4550        0.455   0.07645714    3277.7104    83.104228    -2.975052    2.6747741    -1070.314   -1067.6392 
-    4600         0.46  0.076457157    3224.8571    84.845473   -3.0065552    2.7308174     -1070.37   -1067.6392 
-    4650        0.465  0.076457215    3112.9952    86.608217     -3.03972    2.7875527   -1070.4268   -1067.6392 
-    4700         0.47  0.076457254     3001.141     88.18732    -3.074928    2.8383773   -1070.4776   -1067.6392 
-    4750        0.475  0.076457235    2904.0735    89.204263   -3.1082127    2.8711084   -1070.5103   -1067.6392 
-    4800         0.48  0.076457195    2832.0276     89.24571    -3.134302    2.8724424   -1070.5117   -1067.6392 
-    4850        0.485  0.076457172    2833.7453    88.206351   -3.1541802    2.8389899   -1070.4782   -1067.6392 
-    4900         0.49  0.076457184     2941.993    86.310712   -3.1725372    2.7779773   -1070.4172   -1067.6392 
-    4950        0.495  0.076457228    3082.4825    84.029047   -3.1931038    2.7045401   -1070.3438   -1067.6392 
-    5000          0.5   0.07645727    3155.7095     81.99875   -3.2175967    2.6391934   -1070.2784   -1067.6392 
-    5050        0.505  0.076457297    3162.1875     80.72053   -3.2420203    2.5980529   -1070.2373   -1067.6392 
-    5100         0.51  0.076457279    3133.3889    80.483768   -3.2606472    2.5904325   -1070.2297   -1067.6392 
-    5150        0.515  0.076457223    3144.6361    81.566513   -3.2759117    2.6252815   -1070.2645   -1067.6392 
-    5200         0.52  0.076457166    3156.8183    84.062018   -3.2944729    2.7056013   -1070.3448   -1067.6392 
-    5250        0.525  0.076457128    3059.9886    87.694328   -3.3209415      2.82251   -1070.4617   -1067.6392 
-    5300         0.53  0.076457126    2891.6506    91.782947   -3.3547324    2.9541054   -1070.5933   -1067.6392 
-    5350        0.535  0.076457151    2751.9451    95.417928   -3.3914125    3.0711001   -1070.7103   -1067.6392 
-    5400         0.54   0.07645725    2681.0265    97.845096   -3.4276651    3.1492204   -1070.7885   -1067.6392 
-    5450        0.545  0.076457325    2657.0871    98.736021   -3.4632111    3.1778955   -1070.8171   -1067.6392 
-    5500         0.55  0.076457263    2653.1919    98.075727   -3.4957627    3.1566434   -1070.7959   -1067.6392 
-    5550        0.555  0.076457185    2644.2053    96.114963   -3.5208827    3.0935347   -1070.7328   -1067.6392 
-    5600         0.56  0.076457195    2622.4174    93.525807   -3.5389264    3.0102007   -1070.6494   -1067.6392 
-    5650        0.565   0.07645725    2616.3851    91.264369   -3.5558733    2.9374145   -1070.5766   -1067.6392 
-    5700         0.57  0.076457256    2608.2454    90.135397   -3.5771374    2.9010777   -1070.5403   -1067.6392 
-    5750        0.575  0.076457193     2573.217    90.456889   -3.6030061    2.9114252   -1070.5507   -1067.6392 
-    5800         0.58  0.076457145    2565.3325    92.099499   -3.6318265    2.9642939   -1070.6035   -1067.6392 
-    5850        0.585  0.076457161    2566.2763     94.62532   -3.6627041    3.0455894   -1070.6848   -1067.6392 
-    5900         0.59  0.076457186    2564.6814    97.321391   -3.6927592    3.1323645   -1070.7716   -1067.6392 
-    5950        0.595  0.076457195    2570.6317    99.384979   -3.7170023    3.1987827    -1070.838   -1067.6392 
-    6000          0.6  0.076457206    2556.8466     100.3814   -3.7363622    3.2308533   -1070.8701   -1067.6392 
-    6050        0.605  0.076457195    2521.7989    100.35237   -3.7587516    3.2299188   -1070.8692   -1067.6392 
-    6100         0.61  0.076457175    2476.1857    99.370382   -3.7869326    3.1983129   -1070.8375   -1067.6392 
-    6150        0.615  0.076457178    2397.2805    97.465979   -3.8168635    3.1370182   -1070.7763   -1067.6392 
-    6200         0.62   0.07645713    2286.8528    94.931714   -3.8450242    3.0554509   -1070.6947   -1067.6392 
-    6250        0.625  0.076457116    2250.5238    92.438461   -3.8722441    2.9752036   -1070.6144   -1067.6392 
-    6300         0.63  0.076457156     2338.521    90.714356   -3.9006124    2.9197119   -1070.5589   -1067.6392 
-    6350        0.635   0.07645717    2433.0115    90.142291   -3.9291158    2.9012996   -1070.5405   -1067.6392 
-    6400         0.64  0.076457159    2467.5348    90.771111   -3.9562691    2.9215387   -1070.5608   -1067.6392 
-    6450        0.645  0.076457107    2475.8592    92.488016   -3.9828131    2.9767986    -1070.616   -1067.6392 
-    6500         0.65    0.0764571    2489.7418    95.127451   -4.0122141    3.0617508    -1070.701   -1067.6392 
-    6550        0.655  0.076457169    2500.4747    98.171693   -4.0419177    3.1597321    -1070.799   -1067.6392 
-    6600         0.66  0.076457208    2530.7924    100.74938   -4.0631997     3.242697   -1070.8819   -1067.6392 
-    6650        0.665  0.076457205    2539.1274    102.26227   -4.0743158    3.2913904   -1070.9306   -1067.6392 
-    6700         0.67  0.076457193    2456.6296    102.74328    -4.083416    3.3068723   -1070.9461   -1067.6392 
-    6750        0.675  0.076457138    2387.5795    102.56259   -4.0973623    3.3010567   -1070.9403   -1067.6392 
-    6800         0.68  0.076457109    2401.1036    102.04306    -4.113996     3.284335   -1070.9236   -1067.6392 
-    6850        0.685  0.076457149    2426.9334    101.49407   -4.1282015    3.2666654   -1070.9059   -1067.6392 
-    6900         0.69  0.076457185    2389.4808    101.35428   -4.1401792    3.2621662   -1070.9014   -1067.6392 
-    6950        0.695  0.076457175    2323.8732    101.97431   -4.1517617    3.2821222   -1070.9214   -1067.6392 
-    7000          0.7  0.076457145    2273.8742     103.4638   -4.1630859    3.3300628   -1070.9693   -1067.6392 
-    7050        0.705  0.076457126    2231.6619    105.80757   -4.1770066    3.4054989   -1071.0447   -1067.6392 
-    7100         0.71  0.076457114    2185.0913    108.81901   -4.1989399    3.5024243   -1071.1417   -1067.6392 
-    7150        0.715  0.076457137    2139.1488    111.85718   -4.2283649      3.60021   -1071.2394   -1067.6392 
-    7200         0.72  0.076457149    2101.4843    113.84985   -4.2560033    3.6643459   -1071.3036   -1067.6392 
-    7250        0.725   0.07645712    2118.2459     113.9441   -4.2761251    3.6673792   -1071.3066   -1067.6392 
-    7300         0.73  0.076457121    2191.8612    111.95162   -4.2925363    3.6032496   -1071.2425   -1067.6392 
-    7350        0.735  0.076457137    2227.2133    108.21226   -4.3103732    3.4828957   -1071.1221   -1067.6392 
-    7400         0.74  0.076457111    2182.8818    103.43153   -4.3300151     3.329024   -1070.9683   -1067.6392 
-    7450        0.745  0.076457109    2101.9195    98.839733    -4.354205    3.1812335   -1070.8205   -1067.6392 
-    7500         0.75  0.076457149    2036.6331    95.828658   -4.3866968    3.0843197   -1070.7235   -1067.6392 
-    7550        0.755  0.076457161    1994.7766    95.143411   -4.4221882    3.0622645   -1070.7015   -1067.6392 
-    7600         0.76  0.076457127    1970.8688    96.749372   -4.4522754    3.1139536   -1070.7532   -1067.6392 
-    7650        0.765  0.076457086    1994.0036    100.15642   -4.4763519     3.223612   -1070.8628   -1067.6392 
-    7700         0.77  0.076457048     2073.628    104.50472    -4.498005    3.3635656   -1071.0028   -1067.6392 
-    7750        0.775  0.076457027    2167.9613    108.65949   -4.5168957      3.49729   -1071.1365   -1067.6392 
-    7800         0.78   0.07645702    2217.2571    111.71851   -4.5326316    3.5957471    -1071.235   -1067.6392 
-    7850        0.785  0.076457018    2202.7741    113.32785    -4.548779    3.6475449   -1071.2868   -1067.6392 
-    7900         0.79  0.076457015    2164.9013    113.50963   -4.5689927    3.6533954   -1071.2926   -1067.6392 
-    7950        0.795  0.076457037    2130.7469    112.46016   -4.5932603    3.6196176   -1071.2589   -1067.6392 
-    8000          0.8  0.076457043    2075.0145    110.59865   -4.6198672    3.5597035   -1071.1989   -1067.6392 
-    8050        0.805  0.076457061    2007.4917     108.6927   -4.6506917    3.4983589   -1071.1376   -1067.6392 
-    8100         0.81  0.076457077    1991.5702    107.59433   -4.6877068    3.4630069   -1071.1022   -1067.6392 
-    8150        0.815   0.07645708    2031.0743    107.95739   -4.7305236    3.4746923   -1071.1139   -1067.6392 
-    8200         0.82  0.076457089    2054.3404    109.99515   -4.7756305    3.5402792   -1071.1795   -1067.6392 
-    8250        0.825  0.076457091    2082.2542     113.4122   -4.8195703    3.6502597   -1071.2895   -1067.6392 
-    8300         0.83  0.076457089    2137.8944    117.42257   -4.8606167    3.7793367   -1071.4186   -1067.6392 
-    8350        0.835  0.076457127    2145.0506    120.77123   -4.8931181    3.8871159   -1071.5263   -1067.6392 
-    8400         0.84  0.076457184    2101.9996    122.34334   -4.9126837    3.9377155   -1071.5769   -1067.6392 
-    8450        0.845  0.076457201    2057.1092    121.73484    -4.921619    3.9181301   -1071.5574   -1067.6392 
-    8500         0.85  0.076457149    2005.1132     119.2385   -4.9251343    3.8377838    -1071.477   -1067.6392 
-    8550        0.855  0.076457098    1942.6247    115.64537   -4.9291799     3.722136   -1071.3614   -1067.6392 
-    8600         0.86  0.076457115    1910.1502    111.98317   -4.9396222    3.6042654   -1071.2435   -1067.6392 
-    8650        0.865  0.076457185    1943.3663    109.19353   -4.9603011    3.5144784   -1071.1537   -1067.6392 
-    8700         0.87  0.076457254    2019.4182    107.80177   -4.9898541    3.4696837   -1071.1089   -1067.6392 
-    8750        0.875  0.076457249    2073.1225    107.76716   -5.0205034    3.4685697   -1071.1078   -1067.6392 
-    8800         0.88  0.076457175    2088.6545    108.72646   -5.0437829    3.4994455   -1071.1387   -1067.6392 
-    8850        0.885  0.076457093    2077.5406    110.36499   -5.0572565    3.5521827   -1071.1914   -1067.6392 
-    8900         0.89  0.076457088    2039.5392    112.51291   -5.0650529    3.6213154   -1071.2605   -1067.6392 
-    8950        0.895  0.076457167    2016.6853    114.99374   -5.0744542    3.7011627   -1071.3404   -1067.6392 
-    9000          0.9  0.076457241    2000.3012    117.47475   -5.0917242     3.781016   -1071.4202   -1067.6392 
-    9050        0.905  0.076457226    1957.0091    119.35854   -5.1139655    3.8416472   -1071.4809   -1067.6392 
-    9100         0.91  0.076457166    1923.1545    120.23087   -5.1350957     3.869724    -1071.509   -1067.6392 
-    9150        0.915  0.076457128     1933.618    120.11319   -5.1511544    3.8659364   -1071.5052   -1067.6392 
-    9200         0.92  0.076457114    1961.4473     119.3017   -5.1596749    3.8398178   -1071.4791   -1067.6392 
-    9250        0.925  0.076457136       1962.1    118.34889   -5.1642618    3.8091509   -1071.4484   -1067.6392 
-    9300         0.93  0.076457156    1942.9357    117.84262   -5.1720815    3.7928561   -1071.4321   -1067.6392 
-    9350        0.935  0.076457138    1911.4886    118.10075   -5.1877615    3.8011641   -1071.4404   -1067.6392 
-    9400         0.94  0.076457123    1890.6033    118.99959   -5.2079977     3.830094   -1071.4693   -1067.6392 
-    9450        0.945  0.076457145    1911.9879    120.23989   -5.2265042    3.8700141   -1071.5092   -1067.6392 
-    9500         0.95  0.076457172    1944.8053    121.67513   -5.2423826    3.9162086   -1071.5554   -1067.6392 
-    9550        0.955  0.076457175    1950.6137    123.16708   -5.2566963    3.9642282   -1071.6035   -1067.6392 
-    9600         0.96  0.076457174     1953.467    124.46943   -5.2686278    4.0061451   -1071.6454   -1067.6392 
-    9650        0.965  0.076457174     1991.321    125.52237   -5.2816008    4.0400348   -1071.6793   -1067.6392 
-    9700         0.97  0.076457153    2064.4494    126.48746   -5.3037304    4.0710971   -1071.7103   -1067.6392 
-    9750        0.975  0.076457119    2117.0576    127.38593   -5.3401962     4.100015   -1071.7392   -1067.6392 
-    9800         0.98  0.076457147    2129.8396    127.90735     -5.38872    4.1167973    -1071.756   -1067.6392 
-    9850        0.985  0.076457201    2114.5902    127.47883   -5.4369444     4.103005   -1071.7422   -1067.6392 
-    9900         0.99  0.076457216    2054.2807    125.71916   -5.4695662    4.0463688   -1071.6856   -1067.6392 
-    9950        0.995  0.076457168    1984.2158    123.01154   -5.4834672    3.9592219   -1071.5985   -1067.6392 
-   10000            1  0.076457131    1962.6658    120.32305   -5.4872199    3.8726906   -1071.5119   -1067.6392 
-   10050        1.005  0.076457159    1973.2973    118.61523   -5.4922129    3.8177233    -1071.457   -1067.6392 
-   10100         1.01  0.076457216    1957.9424    118.36973   -5.5066432    3.8098215   -1071.4491   -1067.6392 
-   10150        1.015  0.076457197    1942.1125    119.27525   -5.5290592    3.8389666   -1071.4782   -1067.6392 
-   10200         1.02  0.076457142    1978.3009     120.6949   -5.5571675    3.8846591   -1071.5239   -1067.6392 
-   10250        1.025  0.076457171    2058.9652    122.05983   -5.5914809    3.9285903   -1071.5678   -1067.6392 
-   10300         1.03   0.07645722    2104.5325    122.92754   -5.6303584    3.9565181   -1071.5958   -1067.6392 
-   10350        1.035   0.07645723    2072.9687    123.15237   -5.6697758    3.9637547    -1071.603   -1067.6392 
-   10400         1.04  0.076457234     2012.912    123.02584   -5.7067292    3.9596822   -1071.5989   -1067.6392 
-   10450        1.045  0.076457242    1971.6903    123.23438   -5.7426231    3.9663941   -1071.6056   -1067.6392 
-   10500         1.05    0.0764573    1932.8929    124.43675   -5.7779702    4.0050935   -1071.6443   -1067.6392 
-   10550        1.055  0.076457357    1892.1027    126.80016   -5.8082237    4.0811614   -1071.7204   -1067.6392 
-   10600         1.06  0.076457317    1911.4422    130.09167   -5.8347562    4.1871012   -1071.8263   -1067.6392 
-   10650        1.065  0.076457251    1994.4648    133.74505   -5.8634891    4.3046881   -1071.9439   -1067.6392 
-   10700         1.07  0.076457242    2058.3043    136.94864   -5.8957766    4.4077983    -1072.047   -1067.6392 
-   10750        1.075  0.076457284    2065.4421    138.83647   -5.9266133    4.4685595   -1072.1078   -1067.6392 
-   10800         1.08  0.076457341    2054.3284    138.84647   -5.9519915    4.4688815   -1072.1081   -1067.6392 
-   10850        1.085  0.076457339    2019.0718     136.8565   -5.9690783    4.4048328   -1072.0441   -1067.6392 
-   10900         1.09  0.076457316    1950.5439    133.30535   -5.9772058     4.290536   -1071.9298   -1067.6392 
-   10950        1.095  0.076457386    1880.7681    129.31046   -5.9839906    4.1619576   -1071.8012   -1067.6392 
-   11000          1.1  0.076457422    1858.5762    126.17301   -5.9991286    4.0609761   -1071.7002   -1067.6392 
-   11050        1.105  0.076457344    1895.8864    124.66179   -6.0225804    4.0123366   -1071.6516   -1067.6392 
-   11100         1.11  0.076457251    1940.5442    124.88033   -6.0460181    4.0193704   -1071.6586   -1067.6392 
-   11150        1.115  0.076457202    1961.4346    126.74742   -6.0683173    4.0794642   -1071.7187   -1067.6392 
-   11200         1.12  0.076457268    1940.4836    129.91024   -6.0923522    4.1812618   -1071.8205   -1067.6392 
-   11250        1.125   0.07645736    1893.8666    133.48134   -6.1129806    4.2962004   -1071.9354   -1067.6392 
-   11300         1.13  0.076457404    1883.0365    136.68921    -6.127246    4.3994482   -1072.0387   -1067.6392 
-   11350        1.135  0.076457466    1882.1011     139.1981   -6.1379481     4.480199   -1072.1194   -1067.6392 
-   11400         1.14  0.076457485    1867.5435    140.91567   -6.1513193    4.5354803   -1072.1747   -1067.6392 
-   11450        1.145  0.076457418    1847.4052    141.74281   -6.1759478    4.5621023   -1072.2013   -1067.6392 
-   11500         1.15  0.076457338    1813.6291    141.28184   -6.2119682    4.5472657   -1072.1865   -1067.6392 
-   11550        1.155  0.076457333    1784.6892    139.23575   -6.2525061    4.4814106   -1072.1206   -1067.6392 
-   11600         1.16  0.076457369    1755.4332    135.80671   -6.2888206    4.3710442   -1072.0103   -1067.6392 
-   11650        1.165  0.076457401    1699.9293    131.63594   -6.3110048     4.236805    -1071.876   -1067.6392 
-   11700         1.17  0.076457404    1653.9907    128.00726   -6.3221466     4.120013   -1071.7592   -1067.6392 
-   11750        1.175  0.076457374    1643.4316    126.38341   -6.3360107     4.067748    -1071.707   -1067.6392 
-   11800         1.18   0.07645738    1673.0949    127.37545   -6.3582141    4.0996777   -1071.7389   -1067.6392 
-   11850        1.185  0.076457443    1718.7225    130.55123   -6.3857492    4.2018928   -1071.8411   -1067.6392 
-   11900         1.19  0.076457444     1724.682    134.87067   -6.4146926    4.3409171   -1071.9801   -1067.6392 
-   11950        1.195  0.076457414    1724.3414    139.24431   -6.4451679    4.4816863   -1072.1209   -1067.6392 
-   12000          1.2   0.07645743     1749.066    142.81679   -6.4797792    4.5966692   -1072.2359   -1067.6392 
-   12050        1.205  0.076457426    1742.2617    144.86234   -6.5158489    4.6625067   -1072.3017   -1067.6392 
-   12100         1.21  0.076457401    1675.5507    144.96503    -6.548258    4.6658119    -1072.305   -1067.6392 
-   12150        1.215  0.076457385    1610.7217    143.28189   -6.5749551    4.6116388   -1072.2509   -1067.6392 
-   12200         1.22   0.07645736    1594.8876    140.48135   -6.5962025    4.5215012   -1072.1607   -1067.6392 
-   12250        1.225  0.076457308    1625.0427    137.50616   -6.6145044    4.4257425    -1072.065   -1067.6392 
-   12300         1.23  0.076457299    1685.9568    135.20765   -6.6302129    4.3517632    -1071.991   -1067.6392 
-   12350        1.235   0.07645735     1733.821    134.30584   -6.6414385    4.3227378    -1071.962   -1067.6392 
-   12400         1.24  0.076457353     1729.246    135.30039   -6.6446018    4.3547479    -1071.994   -1067.6392 
-   12450        1.245  0.076457334     1680.067    138.31057   -6.6400277    4.4516331   -1072.0909   -1067.6392 
-   12500         1.25  0.076457325    1617.8899    143.09184   -6.6404768    4.6055219   -1072.2448   -1067.6392 
-   12550        1.255   0.07645726    1599.1888    148.81179   -6.6580865    4.7896229   -1072.4289   -1067.6392 
-   12600         1.26  0.076457209    1658.9431    154.06138   -6.6888278    4.9585849   -1072.5978   -1067.6392 
-   12650        1.265   0.07645722    1736.4699    157.49898   -6.7220069    5.0692269   -1072.7085   -1067.6392 
-   12700         1.27  0.076457274    1779.2323    158.32957   -6.7551291      5.09596   -1072.7352   -1067.6392 
-   12750        1.275  0.076457311    1789.9676    156.14983   -6.7885643    5.0258035    -1072.665   -1067.6392 
-   12800         1.28  0.076457268    1802.2393    151.08471   -6.8186653    4.8627787    -1072.502   -1067.6392 
-   12850        1.285  0.076457196    1818.1637    144.48302   -6.8490939     4.650298   -1072.2895   -1067.6392 
-   12900         1.29  0.076457211    1817.2314    138.47831   -6.8873527    4.4570318   -1072.0963   -1067.6392 
-   12950        1.295  0.076457276    1820.0753    134.61334   -6.9279428    4.3326347   -1071.9719   -1067.6392 
-   13000          1.3  0.076457312    1845.4907    133.46496   -6.9596793    4.2956734   -1071.9349   -1067.6392 
-   13050        1.305  0.076457338    1874.3042    135.13413   -6.9813982    4.3493968   -1071.9886   -1067.6392 
-   13100         1.31  0.076457326    1866.7738    139.17204   -6.9940579    4.4793602   -1072.1186   -1067.6392 
-   13150        1.315  0.076457289    1832.5745    144.49783   -6.9974757    4.6507749     -1072.29   -1067.6392 
-   13200         1.32  0.076457244    1807.0747    149.77919   -6.9983839    4.8207594     -1072.46   -1067.6392 
-   13250        1.325  0.076457187    1796.8435    153.72265   -7.0061211    4.9476829   -1072.5869   -1067.6392 
-   13300         1.33  0.076457166    1784.1488    155.25389   -7.0202393    4.9969671   -1072.6362   -1067.6392 
-   13350        1.335  0.076457229    1753.2853    154.01439   -7.0330486    4.9570726   -1072.5963   -1067.6392 
-   13400         1.34    0.0764573    1735.0082    150.84246   -7.0447346    4.8549818   -1072.4942   -1067.6392 
-   13450        1.345  0.076457318    1726.8186    147.29221   -7.0628093    4.7407141   -1072.3799   -1067.6392 
-   13500         1.35  0.076457297     1714.977    144.61665   -7.0896843     4.654599   -1072.2938   -1067.6392 
-   13550        1.355  0.076457254     1740.268    143.14927   -7.1129029    4.6073704   -1072.2466   -1067.6392 
-   13600         1.36  0.076457211    1795.1636    143.04769   -7.1231397    4.6041009   -1072.2433   -1067.6392 
-   13650        1.365  0.076457195    1823.9739    144.93969      -7.1325    4.6649965   -1072.3042   -1067.6392 
-   13700         1.37  0.076457222    1791.6272    148.76155   -7.1501954    4.7880059   -1072.4272   -1067.6392 
-   13750        1.375  0.076457214     1717.918    153.25937   -7.1700837    4.9327719    -1072.572   -1067.6392 
-   13800         1.38  0.076457173    1650.2116    156.96821   -7.1856522    5.0521435   -1072.6914   -1067.6392 
-   13850        1.385  0.076457198    1622.7393    158.94614   -7.1959656    5.1158049    -1072.755   -1067.6392 
-   13900         1.39  0.076457218     1637.783    158.98661   -7.2040613    5.1171074   -1072.7563   -1067.6392 
-   13950        1.395  0.076457202    1657.4634    157.44492    -7.212632    5.0674868   -1072.7067   -1067.6392 
-   14000          1.4  0.076457212    1629.5225    155.05742   -7.2266988    4.9906432   -1072.6299   -1067.6392 
-   14050        1.405  0.076457239    1593.2904    152.54882   -7.2502659     4.909902   -1072.5491   -1067.6392 
-   14100         1.41   0.07645727     1606.034    150.42146   -7.2818725    4.8414313   -1072.4807   -1067.6392 
-   14150        1.415  0.076457309    1640.1759    149.04348   -7.3155252    4.7970802   -1072.4363   -1067.6392 
-   14200         1.42  0.076457319    1638.1785    148.56697   -7.3411886    4.7817433    -1072.421   -1067.6392 
-   14250        1.425   0.07645727    1612.0972    148.95521   -7.3526259    4.7942389   -1072.4335   -1067.6392 
-   14300         1.43  0.076457238    1604.4691    150.10919   -7.3547431    4.8313808   -1072.4706   -1067.6392 
-   14350        1.435  0.076457245    1636.4307    151.65208   -7.3541157      4.88104   -1072.5203   -1067.6392 
-   14400         1.44  0.076457266    1696.8545    152.99826    -7.354098    4.9243678   -1072.5636   -1067.6392 
-   14450        1.445  0.076457266    1741.9828    153.81879   -7.3623341    4.9507773     -1072.59   -1067.6392 
-   14500         1.45  0.076457331    1723.2799    153.89268   -7.3834301    4.9531555   -1072.5924   -1067.6392 
-   14550        1.455  0.076457432    1657.9319    152.98996   -7.4146781    4.9241004   -1072.5633   -1067.6392 
-   14600         1.46  0.076457435    1610.2643    151.16037   -7.4510333    4.8652138   -1072.5044   -1067.6392 
-   14650        1.465  0.076457345    1613.0087       148.97   -7.4863307     4.794715   -1072.4339   -1067.6392 
-   14700         1.47  0.076457271    1634.4356    147.61305   -7.5183727    4.7510405   -1072.3903   -1067.6392 
-   14750        1.475  0.076457283    1633.8891    148.27943   -7.5460376    4.7724886   -1072.4117   -1067.6392 
-   14800         1.48  0.076457348     1618.243    151.33474   -7.5665855     4.870826   -1072.5101   -1067.6392 
-   14850        1.485  0.076457439    1627.6856     156.2869   -7.5835708    5.0302153   -1072.6694   -1067.6392 
-   14900         1.49  0.076457511    1648.6155    162.01117   -7.6018187    5.2144553   -1072.8537   -1067.6392 
-   14950        1.495  0.076457476    1659.3058      167.117   -7.6196613    5.3787903    -1073.018   -1067.6392 
-   15000          1.5  0.076457375    1669.5167    170.51349   -7.6348747    5.4881089   -1073.1273   -1067.6392 
-   15050        1.505  0.076457377    1665.0495     171.6971   -7.6501299    5.5262045   -1073.1654   -1067.6392 
-   15100         1.51  0.076457509    1653.5232    170.56263    -7.668555    5.4896905   -1073.1289   -1067.6392 
-   15150        1.515   0.07645762    1663.0378    167.19624   -7.6903772    5.3813406   -1073.0206   -1067.6392 
-   15200         1.52  0.076457618    1681.9976    161.85457   -7.7108297     5.209415   -1072.8486   -1067.6392 
-   15250        1.525  0.076457556     1694.698      155.288   -7.7230717    4.9980649   -1072.6373   -1067.6392 
-   15300         1.53  0.076457526    1707.5473    149.10693    -7.726013    4.7991221   -1072.4384   -1067.6392 
-   15350        1.535  0.076457503     1714.975    145.26109   -7.7215489    4.6753408   -1072.3146   -1067.6392 
-   15400         1.54  0.076457471    1739.6517    145.03787   -7.7121713    4.6681565   -1072.3074   -1067.6392 
-   15450        1.545  0.076457463     1779.381    148.49637   -7.7068895    4.7794708   -1072.4187   -1067.6392 
-   15500         1.55   0.07645747    1810.3562    154.24813   -7.7125777    4.9645959   -1072.6038   -1067.6392 
-   15550        1.555  0.076457505    1808.4717    160.18471   -7.7266491    5.1556691   -1072.7949   -1067.6392 
-   15600         1.56  0.076457526    1770.3298    164.69045   -7.7419766    5.3006898   -1072.9399   -1067.6392 
-   15650        1.565    0.0764575     1738.214    167.21043   -7.7549828    5.3817975    -1073.021   -1067.6392 
-   15700         1.57  0.076457497    1697.7709    168.21074   -7.7723359    5.4139933   -1073.0532   -1067.6392 
-   15750        1.575  0.076457555    1621.7132    168.50851   -7.8026216    5.4235772   -1073.0628   -1067.6392 
-   15800         1.58  0.076457525    1558.2186    168.47199   -7.8436156    5.4224019   -1073.0616   -1067.6392 
-   15850        1.585  0.076457429    1502.1375    167.96717   -7.8883594    5.4061538   -1073.0454   -1067.6392 
-   15900         1.59  0.076457478    1425.3742    166.66576    -7.932759    5.3642668   -1073.0035   -1067.6392 
-   15950        1.595  0.076457632    1386.0338    164.33246   -7.9718972    5.2891677   -1072.9284   -1067.6392 
-   16000          1.6  0.076457666    1419.1839    161.41038   -8.0074959    5.1951185   -1072.8344   -1067.6392 
-   16050        1.605  0.076457544    1468.9614    158.91164   -8.0487546    5.1146946   -1072.7539   -1067.6392 
-   16100         1.61  0.076457494    1490.7382    157.31753   -8.0937558     5.063387   -1072.7026   -1067.6392 
-   16150        1.615  0.076457538    1474.5813    156.42997   -8.1330424      5.03482   -1072.6741   -1067.6392 
-   16200         1.62  0.076457556    1437.0783    156.08614    -8.164616    5.0237536    -1072.663   -1067.6392 
-   16250        1.625   0.07645755    1438.9601    156.34668   -8.1896203    5.0321393   -1072.6714   -1067.6392 
-   16300         1.63  0.076457624    1484.8299    157.40778   -8.2067204    5.0662916   -1072.7055   -1067.6392 
-   16350        1.635  0.076457699    1524.3051    159.66771    -8.218867    5.1390293   -1072.7783   -1067.6392 
-   16400         1.64  0.076457644    1544.3149    163.28567   -8.2298125     5.255476   -1072.8947   -1067.6392 
-   16450        1.645  0.076457498    1553.8417    167.83654   -8.2377547    5.4019493   -1073.0412   -1067.6392 
-   16500         1.65  0.076457465     1570.695     172.8939   -8.2462061    5.5647244    -1073.204   -1067.6392 
-   16550        1.655  0.076457507    1593.9327    178.16048   -8.2624521    5.7342334   -1073.3735   -1067.6392 
-   16600         1.66  0.076457489    1603.2741    183.00592   -8.2872119    5.8901875   -1073.5294   -1067.6392 
-   16650        1.665  0.076457496    1571.7154    186.29884    -8.312974    5.9961727   -1073.6354   -1067.6392 
-   16700         1.67   0.07645753    1518.6156    186.99911   -8.3350509    6.0187115   -1073.6579   -1067.6392 
-   16750        1.675   0.07645752     1499.821    184.74394   -8.3580495    5.9461271   -1073.5854   -1067.6392 
-   16800         1.68  0.076457499    1530.7723    179.78119   -8.3875745    5.7863972   -1073.4256   -1067.6392 
-   16850        1.685  0.076457548    1575.4962     172.5183   -8.4158429    5.5526355   -1073.1919   -1067.6392 
-   16900         1.69  0.076457558    1612.3074    163.97541   -8.4338169     5.277676   -1072.9169   -1067.6392 
-   16950        1.695  0.076457479    1635.3132    156.35605   -8.4487945    5.0324408   -1072.6717   -1067.6392 
-   17000          1.7  0.076457438    1614.5636    151.92591   -8.4700427    4.8898534   -1072.5291   -1067.6392 
-   17050        1.705  0.076457424    1564.7085    151.36605   -8.4902367    4.8718339   -1072.5111   -1067.6392 
-   17100         1.71  0.076457358    1535.6285    153.90525   -8.4942176      4.95356   -1072.5928   -1067.6392 
-   17150        1.715   0.07645735     1518.627    158.54937   -8.4805275    5.1030346   -1072.7423   -1067.6392 
-   17200         1.72   0.07645738    1514.2327    164.40935   -8.4621733    5.2916425   -1072.9309   -1067.6392 
-   17250        1.725  0.076457379    1551.5372    170.62245   -8.4562493    5.4916159   -1073.1308   -1067.6392 
-   17300         1.73  0.076457343    1595.3198    176.25515   -8.4715899    5.6729089   -1073.3121   -1067.6392 
-   17350        1.735  0.076457342    1587.5028    180.16731   -8.4978474    5.7988247   -1073.4381   -1067.6392 
-   17400         1.74  0.076457376    1544.7126    181.61601   -8.5200915    5.8454522   -1073.4847   -1067.6392 
-   17450        1.745  0.076457389    1509.6731    180.91787   -8.5397072    5.8229821   -1073.4622   -1067.6392 
-   17500         1.75  0.076457336    1478.9973    178.87414     -8.56042    5.7572029   -1073.3964   -1067.6392 
-   17550        1.755  0.076457332    1451.7239    176.20376   -8.5752611    5.6712547   -1073.3105   -1067.6392 
-   17600         1.76  0.076457348    1448.0805    173.64327   -8.5784834    5.5888433   -1073.2281   -1067.6392 
-   17650        1.765  0.076457351    1433.0266    171.81431   -8.5726784    5.5299771   -1073.1692   -1067.6392 
-   17700         1.77  0.076457438    1390.9365    171.02874    -8.564521    5.5046929   -1073.1439   -1067.6392 
-   17750        1.775  0.076457533    1349.1394    171.41687   -8.5621201     5.517185   -1073.1564   -1067.6392 
-   17800         1.78  0.076457498    1329.3506    172.86493   -8.5713277     5.563792    -1073.203   -1067.6392 
-   17850        1.785  0.076457438    1327.4567    174.82124   -8.5922814    5.6267573    -1073.266   -1067.6392 
-   17900         1.79  0.076457427    1319.5199    176.42672   -8.6210646    5.6784309   -1073.3177   -1067.6392 
-   17950        1.795  0.076457411    1304.8013    176.80992    -8.649668    5.6907647     -1073.33   -1067.6392 
-   18000          1.8  0.076457418    1286.8171    175.49891   -8.6685582    5.6485687   -1073.2878   -1067.6392 
-   18050        1.805  0.076457416    1286.4901     172.8819   -8.6780447    5.5643383   -1073.2036   -1067.6392 
-   18100         1.81  0.076457432    1323.7883    169.97231   -8.6878072    5.4706908   -1073.1099   -1067.6392 
-   18150        1.815  0.076457437    1368.7263    167.90229   -8.7078544    5.4040655   -1073.0433   -1067.6392 
-   18200         1.82  0.076457419    1375.2794    167.69816   -8.7440081    5.3974953   -1073.0367   -1067.6392 
-   18250        1.825  0.076457418    1341.4685    169.86898   -8.7923763     5.467365   -1073.1066   -1067.6392 
-   18300         1.83  0.076457444    1302.4142    174.12507   -8.8422065    5.6043505   -1073.2436   -1067.6392 
-   18350        1.835   0.07645748    1271.1442    179.47439   -8.8848553    5.7765226   -1073.4158   -1067.6392 
-   18400         1.84   0.07645751    1240.9996    184.64305   -8.9194649    5.9428799   -1073.5821   -1067.6392 
-   18450        1.845   0.07645748    1233.4446    188.58667   -8.9527618    6.0698084    -1073.709   -1067.6392 
-   18500         1.85   0.07645741      1261.96    190.37217   -8.9842233    6.1272761   -1073.7665   -1067.6392 
-   18550        1.855  0.076457388    1308.7001    189.47505   -9.0098977    6.0984017   -1073.7376   -1067.6392 
-   18600         1.86  0.076457432    1358.6974    185.96915   -9.0244894    5.9855615   -1073.6248   -1067.6392 
-   18650        1.865  0.076457467    1405.4436    180.67131   -9.0286656    5.8150463   -1073.4543   -1067.6392 
-   18700         1.87  0.076457462    1433.4669    175.00624   -9.0350323    5.6327117   -1073.2719   -1067.6392 
-   18750        1.875    0.0764574    1445.5264    170.24923    -9.048183    5.4796035   -1073.1188   -1067.6392 
-   18800         1.88   0.07645736    1443.3405    167.50038   -9.0636349    5.3911298   -1073.0304   -1067.6392 
-   18850        1.885  0.076457415    1447.0868    167.72835    -9.083147    5.3984671   -1073.0377   -1067.6392 
-   18900         1.89  0.076457524    1458.9885    171.02105   -9.1096362    5.5044452   -1073.1437   -1067.6392 
-   18950        1.895  0.076457539    1446.6895    176.34791   -9.1375492    5.6758943   -1073.3151   -1067.6392 
-   19000          1.9  0.076457474    1411.5198    182.40529    -9.161382    5.8708558   -1073.5101   -1067.6392 
-   19050        1.905  0.076457448    1385.2991     188.2183   -9.1852956    6.0579522   -1073.6972   -1067.6392 
-   19100         1.91  0.076457528    1413.6999    192.85984    -9.215331    6.2073435   -1073.8466   -1067.6392 
-   19150        1.915  0.076457582     1480.043    195.28016   -9.2474153    6.2852437   -1073.9245   -1067.6392 
-   19200         1.92  0.076457539    1547.1186    195.01127   -9.2733006    6.2765891   -1073.9158   -1067.6392 
-   19250        1.925   0.07645751    1605.8035    192.80171   -9.2939477    6.2054728   -1073.8447   -1067.6392 
-   19300         1.93  0.076457473    1598.3059    190.10762   -9.3163636    6.1187613    -1073.758   -1067.6392 
-   19350        1.935  0.076457416    1509.2408    188.03157   -9.3412168    6.0519421   -1073.6912   -1067.6392 
-   19400         1.94  0.076457518    1434.6458    186.83194   -9.3626576    6.0133311   -1073.6526   -1067.6392 
-   19450        1.945  0.076457638    1403.9558    186.03899   -9.3780305    5.9878093    -1073.627   -1067.6392 
-   19500         1.95  0.076457559    1394.7584    185.05086   -9.3957021    5.9560055   -1073.5952   -1067.6392 
-   19550        1.955  0.076457442    1413.4384     183.7353   -9.4257255    5.9136631   -1073.5529   -1067.6392 
-   19600         1.96  0.076457383    1421.2339    182.69045   -9.4681432     5.880034   -1073.5193   -1067.6392 
-   19650        1.965  0.076457413    1420.5968    182.99886   -9.5190918    5.8899604   -1073.5292   -1067.6392 
-   19700         1.97  0.076457479    1422.3009    185.07328   -9.5688775    5.9567273    -1073.596   -1067.6392 
-   19750        1.975  0.076457568    1401.8644    188.22803   -9.6031318    6.0582654   -1073.6975   -1067.6392 
-   19800         1.98  0.076457554    1393.8386    191.47532   -9.6182282    6.1627819    -1073.802   -1067.6392 
-   19850        1.985  0.076457465    1418.2809    194.07382   -9.6229072    6.2464164   -1073.8856   -1067.6392 
-   19900         1.99  0.076457438    1451.5379    195.52045   -9.6257452    6.2929776   -1073.9322   -1067.6392 
-   19950        1.995  0.076457422     1478.147     195.5996   -9.6318225     6.295525   -1073.9348   -1067.6392 
-   20000            2  0.076457344    1467.9497    194.43701   -9.6465325     6.258106   -1073.8973   -1067.6392 
-   20050        2.005  0.076457295     1455.781    192.15793   -9.6679695    6.1847521    -1073.824   -1067.6392 
-   20100         2.01  0.076457282    1475.7234    188.99879   -9.6853381    6.0830729   -1073.7223   -1067.6392 
-   20150        2.015  0.076457336    1511.2492     185.9129   -9.6914823     5.983751    -1073.623   -1067.6392 
-   20200         2.02  0.076457369     1535.108    184.55863   -9.6947447    5.9401628   -1073.5794   -1067.6392 
-   20250        2.025   0.07645738    1549.6908    186.04749   -9.7111475    5.9880829   -1073.6273   -1067.6392 
-   20300         2.03  0.076457371    1573.2987    189.74993   -9.7443086    6.1072487   -1073.7465   -1067.6392 
-   20350        2.035  0.076457335    1598.8027    193.78171   -9.7835665    6.2370146   -1073.8762   -1067.6392 
-   20400         2.04  0.076457321    1612.4365    196.34944   -9.8182578    6.3196591   -1073.9589   -1067.6392 
-   20450        2.045  0.076457294    1595.6224    196.49735   -9.8435079    6.3244197   -1073.9637   -1067.6392 
-   20500         2.05  0.076457341    1551.0932     194.1488   -9.8554709    6.2488299   -1073.8881   -1067.6392 
-   20550        2.055  0.076457438    1523.3882    190.11991   -9.8537895    6.1191568   -1073.7584   -1067.6392 
-   20600         2.06   0.07645743     1505.948    186.07182   -9.8495482    5.9888659   -1073.6281   -1067.6392 
-   20650        2.065  0.076457406    1490.3445    183.51625   -9.8537234     5.906613   -1073.5458   -1067.6392 
-   20700         2.07  0.076457442     1490.946     182.9075   -9.8637593    5.8870197   -1073.5263   -1067.6392 
-   20750        2.075  0.076457441    1481.0717    184.03654   -9.8709996    5.9233588   -1073.5626   -1067.6392 
-   20800         2.08  0.076457493    1467.9055    186.97232   -9.8793685    6.0178494   -1073.6571   -1067.6392 
-   20850        2.085  0.076457525    1469.5229     191.9059   -9.9019503    6.1766405   -1073.8159   -1067.6392 
-   20900         2.09   0.07645743    1500.8747    198.14128   -9.9382469    6.3773308   -1074.0166   -1067.6392 
-   20950        2.095  0.076457353    1522.7523    204.22851   -9.9761093     6.573253   -1074.2125   -1067.6392 
-   21000          2.1  0.076457408    1493.9748    209.08499   -10.009592    6.7295628   -1074.3688   -1067.6392 
-   21050        2.105  0.076457469    1446.2705    212.35054   -10.040544    6.8346669   -1074.4739   -1067.6392 
-   21100         2.11  0.076457354    1411.2601    213.76664   -10.067187    6.8802453   -1074.5195   -1067.6392 
-   21150        2.115   0.07645727    1391.2445    213.01118   -10.083619    6.8559303   -1074.4952   -1067.6392 
-   21200         2.12   0.07645735    1371.2169    210.04448   -10.087484    6.7604446   -1074.3997   -1067.6392 
-   21250        2.125  0.076457381    1340.7221    205.38603    -10.08789    6.6105088   -1074.2497   -1067.6392 
-   21300         2.13  0.076457303    1325.8617    199.86436   -10.098269    6.4327894    -1074.072   -1067.6392 
-   21350        2.135  0.076457273    1350.6616    194.28131    -10.12363    6.2530948   -1073.8923   -1067.6392 
-   21400         2.14  0.076457275    1394.6898    189.37392   -10.157685    6.0951465   -1073.7344   -1067.6392 
-   21450        2.145  0.076457319    1404.9529    186.00624   -10.193758    5.9867551    -1073.626   -1067.6392 
-   21500         2.15  0.076457343    1377.3399    184.88515   -10.229093     5.950672   -1073.5899   -1067.6392 
-   21550        2.155  0.076457316    1331.0234    185.97828   -10.259659    5.9858551   -1073.6251   -1067.6392 
-   21600         2.16  0.076457281    1273.4665    188.83363    -10.28823     6.077757    -1073.717   -1067.6392 
-   21650        2.165  0.076457288    1243.3898    192.93897   -10.322287    6.2098905   -1073.8491   -1067.6392 
-   21700         2.17  0.076457281    1219.7561    197.68298   -10.364391    6.3625801   -1074.0018   -1067.6392 
-   21750        2.175  0.076457285    1200.7077    202.03274   -10.403933    6.5025805   -1074.1418   -1067.6392 
-   21800         2.18  0.076457259    1184.4538    204.87849   -10.429043    6.5941733   -1074.2334   -1067.6392 
-   21850        2.185  0.076457258    1175.6721    205.68948   -10.440346    6.6202757   -1074.2595   -1067.6392 
-   21900         2.19  0.076457315    1180.8341     204.8243   -10.448053    6.5924291   -1074.2317   -1067.6392 
-   21950        2.195   0.07645731    1194.0301    203.45174   -10.464561    6.5482521   -1074.1875   -1067.6392 
-   22000          2.2  0.076457233    1221.9791    202.73877   -10.493309    6.5253048   -1074.1645   -1067.6392 
-   22050        2.205  0.076457231    1250.0249    203.00033   -10.523727    6.5337233    -1074.173   -1067.6392 
-   22100         2.21  0.076457313    1249.3152    204.03327   -10.546944    6.5669691   -1074.2062   -1067.6392 
-   22150        2.215  0.076457371    1237.3367    205.55066   -10.562365    6.6158075    -1074.255   -1067.6392 
-   22200         2.22  0.076457296    1243.2787    207.11609   -10.573015    6.6661921   -1074.3054   -1067.6392 
-   22250        2.225  0.076457216    1271.1183    208.31179   -10.585742    6.7046767   -1074.3439   -1067.6392 
-   22300         2.23  0.076457244    1284.8837     208.8428   -10.603798    6.7217677    -1074.361   -1067.6392 
-   22350        2.235  0.076457332    1283.4661    208.59905   -10.624708    6.7139222   -1074.3532   -1067.6392 
-   22400         2.24   0.07645736    1303.7498    207.46236     -10.6408    6.6773371   -1074.3166   -1067.6392 
-   22450        2.245  0.076457355    1335.4979    205.36278   -10.647746    6.6097605    -1074.249   -1067.6392 
-   22500         2.25  0.076457336    1346.4145    202.64405   -10.654521    6.5222561   -1074.1615   -1067.6392 
-   22550        2.255  0.076457311    1346.1625    199.76606   -10.666656    6.4296256   -1074.0689   -1067.6392 
-   22600         2.26  0.076457308    1340.0768    197.47287    -10.68361    6.3558176    -1073.995   -1067.6392 
-   22650        2.265  0.076457239    1331.9216    197.00994   -10.705717    6.3409178   -1073.9801   -1067.6392 
-   22700         2.27  0.076457144    1323.8234     199.2165   -10.723115    6.4119377   -1074.0512   -1067.6392 
-   22750        2.275  0.076457155    1328.8167    204.12885   -10.731517    6.5700455   -1074.2093   -1067.6392 
-   22800         2.28  0.076457245    1341.6384    210.71157   -10.738456    6.7819153   -1074.4211   -1067.6392 
-   22850        2.285  0.076457291    1356.1262    216.84292   -10.742858    6.9792578   -1074.6185   -1067.6392 
-   22900         2.29   0.07645725    1366.5895    220.63144   -10.743306    7.1011942   -1074.7404   -1067.6392 
-   22950        2.295  0.076457156    1344.6768    221.40356   -10.750585    7.1260454   -1074.7653   -1067.6392 
-   23000          2.3  0.076457186    1294.1965    219.35393   -10.774867    7.0600763   -1074.6993   -1067.6392 
-   23050        2.305  0.076457196    1239.1224    214.99785   -10.815487    6.9198728   -1074.5591   -1067.6392 
-   23100         2.31  0.076457076    1215.0106    208.92641   -10.858673    6.7244588   -1074.3637   -1067.6392 
-   23150        2.315  0.076457176    1230.6321    202.19142   -10.890066    6.5076879   -1074.1469   -1067.6392 
-   23200         2.32  0.076457304    1238.2351     196.6442   -10.911075    6.3291462   -1073.9684   -1067.6392 
-   23250        2.325  0.076457249    1239.4105    194.24059   -10.931389    6.2517841    -1073.891   -1067.6392 
-   23300         2.33  0.076457161    1257.0758    195.88203   -10.952578    6.3046152   -1073.9438   -1067.6392 
-   23350        2.335  0.076457197    1279.1537    200.82031   -10.967466    6.4635575   -1074.1028   -1067.6392 
-   23400         2.34  0.076457257    1300.7395     207.5662   -10.975013    6.6806793   -1074.3199   -1067.6392 
-   23450        2.345   0.07645726    1308.5908    214.80077    -10.98098    6.9135294   -1074.5528   -1067.6392 
-   23500         2.35  0.076457272    1289.4755    221.18513   -10.987842    7.1190149   -1074.7582   -1067.6392 
-   23550        2.355  0.076457236    1283.5991    225.44351   -10.997358    7.2560744   -1074.8953   -1067.6392 
-   23600         2.36  0.076457163    1312.3799    226.64105   -11.007971     7.294618   -1074.9339   -1067.6392 
-   23650        2.365  0.076457229    1344.3851    224.59123   -11.019084    7.2286432   -1074.8679   -1067.6392 
-   23700         2.37   0.07645729     1365.885    219.94976   -11.030767    7.0792538   -1074.7185   -1067.6392 
-   23750        2.375  0.076457227    1401.6314    214.22979   -11.045135     6.895152   -1074.5344   -1067.6392 
-   23800         2.38  0.076457188    1427.6864    209.29217   -11.064939    6.7362309   -1074.3755   -1067.6392 
-   23850        2.385  0.076457163    1408.8222    206.27856   -11.086967    6.6392355   -1074.2785   -1067.6392 
-   23900         2.39   0.07645708    1385.5983    205.10952   -11.107172    6.6016091   -1074.2408   -1067.6392 
-   23950        2.395  0.076457071    1387.0133    205.04577   -11.129799    6.5995574   -1074.2388   -1067.6392 
-   24000          2.4  0.076457108    1390.5162    205.39894   -11.156831    6.6109242   -1074.2502   -1067.6392 
-   24050        2.405  0.076457131    1357.8774    206.15789   -11.185375    6.6353518   -1074.2746   -1067.6392 
-   24100         2.41  0.076457132    1299.8027    207.97437   -11.215364    6.6938165    -1074.333   -1067.6392 
-   24150        2.415  0.076457046    1264.5476    211.18407   -11.243431    6.7971232   -1074.4364   -1067.6392 
-   24200         2.42  0.076456997    1257.3066    215.49914   -11.266145    6.9360069   -1074.5752   -1067.6392 
-   24250        2.425  0.076457004    1257.7398    220.04117   -11.280372    7.0821959   -1074.7214   -1067.6392 
-   24300         2.43   0.07645702    1251.1577     223.4371   -11.283992    7.1914966   -1074.8307   -1067.6392 
-   24350        2.435  0.076457022    1252.7715    224.64315   -11.285671     7.230314   -1074.8695   -1067.6392 
-   24400         2.44  0.076456984    1265.9957    223.69761   -11.294539    7.1998812   -1074.8391   -1067.6392 
-   24450        2.445  0.076456934    1262.7138    221.81546   -11.310639    7.1393028   -1074.7785   -1067.6392 
-   24500         2.45  0.076456873    1233.0144    220.50339   -11.329658    7.0970727   -1074.7363   -1067.6392 
-   24550        2.455  0.076456875    1202.6505    220.34157   -11.349408    7.0918644   -1074.7311   -1067.6392 
-   24600         2.46  0.076456941    1202.6676    220.33665   -11.361751    7.0917062   -1074.7309   -1067.6392 
-   24650        2.465  0.076456963    1226.7474    219.30132   -11.363433     7.058383   -1074.6976   -1067.6392 
-   24700         2.47  0.076456936    1249.5386    217.48305    -11.36762    6.9998606   -1074.6391   -1067.6392 
-   24750        2.475  0.076456975    1268.5471     215.9159    -11.38311    6.9494209   -1074.5887   -1067.6392 
-   24800         2.48  0.076456964    1270.5323    215.29735   -11.406944    6.9295122   -1074.5687   -1067.6392 
-   24850        2.485  0.076456848    1246.8523    215.79179   -11.434782    6.9454262   -1074.5847   -1067.6392 
-   24900         2.49  0.076456767    1228.3555    217.27323   -11.464221    6.9931074   -1074.6323   -1067.6392 
-   24950        2.495  0.076456798    1234.9605    219.39808    -11.48602    7.0614974   -1074.7007   -1067.6392 
-   25000          2.5  0.076456902    1253.6133     221.8827   -11.487009    7.1414669   -1074.7807   -1067.6392 
-   25050        2.505  0.076456945    1263.1766    224.65139   -11.467154    7.2305793   -1074.8698   -1067.6392 
-   25100         2.51  0.076456885    1268.8469    227.19826    -11.44163    7.3125522   -1074.9518   -1067.6392 
-   25150        2.515  0.076456776    1270.7217    228.36783   -11.425894    7.3501958   -1074.9894   -1067.6392 
-   25200         2.52  0.076456734    1279.1408    227.30965   -11.424483    7.3161374   -1074.9554   -1067.6392 
-   25250        2.525  0.076456742    1292.6915    224.19273   -11.429236    7.2158169   -1074.8551   -1067.6392 
-   25300         2.53   0.07645679    1314.5843    219.60843   -11.430397    7.0682677   -1074.7075   -1067.6392 
-   25350        2.535   0.07645686     1334.032    213.71531   -11.425496    6.8785933   -1074.5178   -1067.6392 
-   25400         2.54  0.076456849    1349.3813     207.2907   -11.418326    6.6718121    -1074.311   -1067.6392 
-   25450        2.545   0.07645677    1377.8998    202.81528   -11.421994    6.5277672    -1074.167   -1067.6392 
-   25500         2.55  0.076456793    1396.8932    202.49375   -11.445285    6.5174184   -1074.1566   -1067.6392 
-   25550        2.555  0.076456881    1384.3333    205.94001   -11.474157     6.628339   -1074.2676   -1067.6392 
-   25600         2.56  0.076456893    1392.2099    211.07888   -11.490781    6.7937375    -1074.433   -1067.6392 
-   25650        2.565  0.076456856     1425.474    216.44999   -11.500276     6.966611   -1074.6058   -1067.6392 
-   25700         2.57   0.07645682    1422.3347     221.7408   -11.521064    7.1368997   -1074.7761   -1067.6392 
-   25750        2.575  0.076456827    1389.5116    226.77774   -11.558724    7.2990176   -1074.9383   -1067.6392 
-   25800         2.58  0.076456894    1376.0165    230.42348   -11.588294    7.4163587   -1075.0556   -1067.6392 
-   25850        2.585  0.076456848    1392.9987    231.78982   -11.595522    7.4603351   -1075.0996   -1067.6392 
-   25900         2.59   0.07645674     1406.285    231.56537   -11.605309    7.4531113   -1075.0923   -1067.6392 
-   25950        2.595  0.076456751    1413.5397    230.66657   -11.635338    7.4241825   -1075.0634   -1067.6392 
-   26000          2.6  0.076456899     1416.443    229.45699   -11.678587    7.3852513   -1075.0245   -1067.6392 
-   26050        2.605  0.076457003     1403.885    228.28072   -11.723713    7.3473922   -1074.9866   -1067.6392 
-   26100         2.61  0.076457021    1373.3644    227.67281   -11.766892    7.3278259   -1074.9671   -1067.6392 
-   26150        2.615  0.076456911    1340.7862    227.79846   -11.809643    7.3318702   -1074.9711   -1067.6392 
-   26200         2.62  0.076456907     1300.443     227.6998   -11.840279    7.3286948   -1074.9679   -1067.6392 
-   26250        2.625  0.076456986    1245.9108    226.64351   -11.849238    7.2946973   -1074.9339   -1067.6392 
-   26300         2.63  0.076456906    1213.3895    225.39942   -11.849142    7.2546552   -1074.8939   -1067.6392 
-   26350        2.635  0.076456826    1226.1376    224.51387   -11.849268    7.2261533   -1074.8654   -1067.6392 
-   26400         2.64  0.076456838    1277.7083    223.02405   -11.845728    7.1782022   -1074.8174   -1067.6392 
-   26450        2.645  0.076456848    1348.5108    219.94872   -11.843068    7.0792202   -1074.7185   -1067.6392 
-   26500         2.65  0.076456809    1384.7118    215.79754   -11.858605    6.9456112   -1074.5848   -1067.6392 
-   26550        2.655  0.076456789    1365.0705     211.7995   -11.891933    6.8169312   -1074.4562   -1067.6392 
-   26600         2.66  0.076456914     1299.543    209.09625   -11.921163     6.729925   -1074.3692   -1067.6392 
-   26650        2.665  0.076457016    1239.2364    208.71915   -11.931351    6.7177878    -1074.357   -1067.6392 
-   26700         2.67  0.076456972    1214.9068      211.699   -11.935106    6.8136966   -1074.4529   -1067.6392 
-   26750        2.675  0.076456871    1213.0891    218.33214   -11.952461    7.0271895   -1074.6664   -1067.6392 
-   26800         2.68  0.076456798    1223.6985    227.28091   -11.983537    7.3152126   -1074.9544   -1067.6392 
-   26850        2.685  0.076456809    1225.5098    236.07415   -12.013499    7.5982297   -1075.2375   -1067.6392 
-   26900         2.69  0.076456872    1227.6603     242.5254   -12.033513    7.8058683   -1075.4451   -1067.6392 
-   26950        2.695  0.076456972    1258.3608    245.56912   -12.047317    7.9038328   -1075.5431   -1067.6392 
-   27000          2.7  0.076456994    1275.6126    245.13472   -12.061439    7.8898512   -1075.5291   -1067.6392 
-   27050        2.705  0.076456887    1268.2866     241.7328   -12.077934    7.7803577   -1075.4196   -1067.6392 
-   27100         2.71  0.076456789    1276.6398    236.41209   -12.099691    7.6091067   -1075.2483   -1067.6392 
-   27150        2.715  0.076456817     1285.086    230.59357   -12.127675    7.4218332   -1075.0611   -1067.6392 
-   27200         2.72  0.076456956    1279.8644     225.6959   -12.152964    7.2641976   -1074.9034   -1067.6392 
-   27250        2.725  0.076457008    1265.0918     222.9285   -12.162529    7.1751269   -1074.8144   -1067.6392 
-   27300         2.73  0.076456892    1255.4758    223.34114   -12.160471    7.1884079   -1074.8276   -1067.6392 
-   27350        2.735  0.076456791    1255.3028    227.16525   -12.168727    7.3114899   -1074.9507   -1067.6392 
-   27400         2.74   0.07645683    1235.3098    232.49107   -12.190625    7.4829055   -1075.1221   -1067.6392 
-   27450        2.745  0.076456913    1195.6445    236.20823   -12.208759    7.6025451   -1075.2418   -1067.6392 
-   27500         2.75  0.076456943    1161.6213    236.76136    -12.22307    7.6203482   -1075.2596   -1067.6392 
-   27550        2.755  0.076456918    1154.7881    234.39737   -12.238887    7.5442614   -1075.1835   -1067.6392 
-   27600         2.76  0.076456852    1164.6343     230.1096   -12.253338    7.4062559   -1075.0455   -1067.6392 
-   27650        2.765   0.07645681    1192.4719    225.31606   -12.266794    7.2519722   -1074.8912   -1067.6392 
-   27700         2.77  0.076456909    1231.6135    221.89166   -12.281503    7.1417553    -1074.781   -1067.6392 
-   27750        2.775  0.076457006    1235.7541    221.87696   -12.295173    7.1412822   -1074.7805   -1067.6392 
-   27800         2.78   0.07645698    1208.1367    226.64974   -12.307425    7.2948978   -1074.9341   -1067.6392 
-   27850        2.785  0.076456891    1176.1511    235.51318   -12.317651    7.5801745   -1075.2194   -1067.6392 
-   27900         2.79  0.076456848    1164.9233    245.47424   -12.322706    7.9007791     -1075.54   -1067.6392 
-   27950        2.795  0.076456846    1164.6239    253.11209    -12.32738    8.1466091   -1075.7858   -1067.6392 
-   28000          2.8  0.076456848    1160.4177    256.41801   -12.347417    8.2530127   -1075.8922   -1067.6392 
-   28050        2.805  0.076456824    1162.4022     254.7287   -12.389013    8.1986408   -1075.8379   -1067.6392 
-   28100         2.81  0.076456816    1169.0586    248.13397   -12.435631    7.9863846   -1075.6256   -1067.6392 
-   28150        2.815  0.076456796    1178.5376    238.03172   -12.470806    7.6612358   -1075.3005   -1067.6392 
-   28200         2.82  0.076456763    1199.2585    227.28714   -12.495824    7.3154129   -1074.9546   -1067.6392 
-   28250        2.825   0.07645681    1234.5536    218.97616   -12.518189    7.0479177   -1074.6871   -1067.6392 
-   28300         2.83  0.076456865    1276.7135    215.42144   -12.539753    6.9335061   -1074.5727   -1067.6392 
-   28350        2.835  0.076456943    1320.0112    217.52061   -12.555571    7.0010697   -1074.6403   -1067.6392 
-   28400         2.84   0.07645694    1322.7705    223.90193   -12.561183    7.2064573   -1074.8457   -1067.6392 
-   28450        2.845  0.076456873    1274.2662    231.82206   -12.558374     7.461373   -1075.1006   -1067.6392 
-   28500         2.85   0.07645682    1212.3657    239.21446   -12.557378    7.6993032   -1075.3385   -1067.6392 
-   28550        2.855  0.076456743    1168.3546    245.06433   -12.567018    7.8875858   -1075.5268   -1067.6392 
-   28600         2.86  0.076456731    1159.1141    248.78928   -12.591534     8.007476   -1075.6467   -1067.6392 
-   28650        2.865   0.07645684    1173.7764    249.83877   -12.632126    8.0412547   -1075.6805   -1067.6392 
-   28700         2.87  0.076456919    1172.0608    247.79274   -12.684385    7.9754016   -1075.6146   -1067.6392 
-   28750        2.875  0.076456876    1150.8061    243.05242   -12.738771    7.8228308   -1075.4621   -1067.6392 
-   28800         2.88  0.076456855    1119.2348    237.23074   -12.782276    7.6354555   -1075.2747   -1067.6392 
-   28850        2.885  0.076456907    1109.9511    233.14457   -12.809798    7.5039389   -1075.1432   -1067.6392 
-   28900         2.89  0.076456909    1118.3015     233.7173   -12.825932    7.5223728   -1075.1616   -1067.6392 
-   28950        2.895  0.076456802    1110.4763     239.3953   -12.836993    7.7051234   -1075.3444   -1067.6392 
-   29000          2.9  0.076456789    1094.3593    246.77428   -12.846357    7.9426216   -1075.5819   -1067.6392 
-   29050        2.905  0.076456914     1087.347    250.95238   -12.854444     8.077097   -1075.7163   -1067.6392 
-   29100         2.91  0.076456912    1080.3745    249.15916   -12.864944     8.019381   -1075.6586   -1067.6392 
-   29150        2.915  0.076456867    1077.8142    242.15509   -12.879291    7.7939495   -1075.4332   -1067.6392 
-   29200         2.92  0.076456965     1073.411    233.44287   -12.891242    7.5135398   -1075.1528   -1067.6392 
-   29250        2.925  0.076457115    1072.0744    227.42913    -12.90317    7.3199831   -1074.9592   -1067.6392 
-   29300         2.93  0.076457151    1093.6395    227.10626   -12.933289    7.3095913   -1074.9488   -1067.6392 
-   29350        2.935  0.076457038    1119.3849    232.36032   -12.988079    7.4786974   -1075.1179   -1067.6392 
-   29400         2.94  0.076456921    1134.6243    240.72805   -13.055919     7.748019   -1075.3873   -1067.6392 
-   29450        2.945  0.076456864     1141.918    249.49518   -13.118734    8.0301961   -1075.6694   -1067.6392 
-   29500         2.95  0.076456941    1159.6822    257.15763   -13.165805    8.2768181   -1075.9161   -1067.6392 
-   29550        2.955   0.07645714    1179.2951    262.93943    -13.20027    8.4629096   -1076.1021   -1067.6392 
-   29600         2.96   0.07645717    1186.3391    265.77303   -13.225007    8.5541112   -1076.1933   -1067.6392 
-   29650        2.965  0.076456962    1198.5613    265.15045   -13.244795    8.5340732   -1076.1733   -1067.6392 
-   29700         2.97   0.07645683    1197.8883    261.64426    -13.26969    8.4212236   -1076.0605   -1067.6392 
-   29750        2.975  0.076456909    1177.7226     255.9899   -13.299001    8.2392337   -1075.8785   -1067.6392 
-   29800         2.98  0.076457063    1159.8441    249.00075   -13.322918    8.0142823   -1075.6535   -1067.6392 
-   29850        2.985  0.076457146    1148.4764    242.18856   -13.338769    7.7950268   -1075.4343   -1067.6392 
-   29900         2.99  0.076457089    1130.9903    237.45135   -13.348753    7.6425559   -1075.2818   -1067.6392 
-   29950        2.995  0.076457001    1117.7814    236.46455   -13.358912     7.610795     -1075.25   -1067.6392 
-   30000            3  0.076456942    1126.2416    239.60448    -13.37352    7.7118561   -1075.3511   -1067.6392 
-   30050        3.005  0.076456886    1156.3534    245.25724   -13.389734    7.8937946    -1075.533   -1067.6392 
-   30100         3.01  0.076456966    1190.7799    250.77536   -13.402583    8.0713994   -1075.7106   -1067.6392 
-   30150        3.015  0.076457085    1203.6351    254.27554   -13.409529    8.1840557   -1075.8233   -1067.6392 
-   30200         3.02  0.076457139    1204.0863     255.8356   -13.413637    8.2342673   -1075.8735   -1067.6392 
-   30250        3.025   0.07645724    1221.2681    256.67609   -13.417029    8.2613191   -1075.9006   -1067.6392 
-   30300         3.03  0.076457187    1256.9158    257.31837   -13.417166    8.2819915   -1075.9212   -1067.6392 
-   30350        3.035  0.076457004    1278.7323    257.24074   -13.411793    8.2794928   -1075.9187   -1067.6392 
-   30400         3.04  0.076457001    1251.5199    256.19386   -13.407137    8.2457981    -1075.885   -1067.6392 
-   30450        3.045  0.076457164    1196.1208    254.69214   -13.410047    8.1974643   -1075.8367   -1067.6392 
-   30500         3.05  0.076457257    1145.1647    253.23253   -13.415744    8.1504855   -1075.7897   -1067.6392 
-   30550        3.055  0.076457144    1116.3699    251.85343   -13.417375    8.1060982   -1075.7453   -1067.6392 
-   30600         3.06  0.076456997    1135.1489    250.16809   -13.409575     8.051854   -1075.6911   -1067.6392 
-   30650        3.065  0.076457054    1166.8172    248.05389   -13.394954    7.9838071    -1075.623   -1067.6392 
-   30700         3.07  0.076457216    1168.9659    245.96158   -13.389042    7.9164642   -1075.5557   -1067.6392 
-   30750        3.075  0.076457229    1179.4894    244.10708    -13.40216    7.8567758    -1075.496   -1067.6392 
-   30800         3.08  0.076457154    1215.0559    242.34737    -13.43183    7.8001383   -1075.4394   -1067.6392 
-   30850        3.085  0.076457184    1249.0791    240.65467   -13.466111    7.7456575   -1075.3849   -1067.6392 
-   30900         3.09  0.076457196    1263.3416    239.28699   -13.484792    7.7016376   -1075.3409   -1067.6392 
-   30950        3.095  0.076457165    1271.4598     239.5317   -13.488388    7.7095135   -1075.3487   -1067.6392 
-   31000          3.1  0.076457184    1286.9333    242.95851   -13.498706    7.8198081    -1075.459   -1067.6392 
-   31050        3.105  0.076457244    1283.9706    249.40628   -13.524063    8.0273348   -1075.6666   -1067.6392 
-   31100         3.11  0.076457303     1260.718    256.94623   -13.554227    8.2700138   -1075.9092   -1067.6392 
-   31150        3.115  0.076457309    1234.9544    263.41539   -13.575646    8.4782287   -1076.1175   -1067.6392 
-   31200         3.12  0.076457299     1221.679    267.76241   -13.587061     8.618141   -1076.2574   -1067.6392 
-   31250        3.125   0.07645728    1205.3199    269.88964   -13.601419    8.6866074   -1076.3258   -1067.6392 
-   31300         3.13  0.076457321    1193.2183    269.84108   -13.633868    8.6850446   -1076.3243   -1067.6392 
-   31350        3.135  0.076457329    1188.8946    267.62378   -13.682779    8.6136792   -1076.2529   -1067.6392 
-   31400         3.14   0.07645724    1172.3644    263.84237   -13.735657    8.4919716   -1076.1312   -1067.6392 
-   31450        3.145  0.076457234    1156.6255    259.26765   -13.777686    8.3447306    -1075.984   -1067.6392 
-   31500         3.15  0.076457352    1146.2606    254.31094   -13.801841    8.1851949   -1075.8244   -1067.6392 
-   31550        3.155  0.076457413    1127.1739    249.59314   -13.819577    8.0333488   -1075.6726   -1067.6392 
-   31600         3.16  0.076457375    1124.4259    245.82878   -13.842426      7.91219   -1075.5514   -1067.6392 
-   31650        3.165  0.076457268    1141.1569    243.59222   -13.866183    7.8402047   -1075.4794   -1067.6392 
-   31700         3.17  0.076457185    1142.9315    243.62712   -13.876409    7.8413279   -1075.4806   -1067.6392 
-   31750        3.175  0.076457201    1127.0843    246.58578   -13.867806    7.9365548   -1075.5758   -1067.6392 
-   31800         3.18  0.076457204    1110.3606    251.69266   -13.849255    8.1009235   -1075.7402   -1067.6392 
-   31850        3.185  0.076457198    1090.6423    257.43936   -13.842194    8.2858857   -1075.9251   -1067.6392 
-   31900         3.19  0.076457249    1070.2837     263.0995   -13.858302    8.4680616   -1076.1073   -1067.6392 
-   31950        3.195  0.076457354    1038.4021    268.06563    -13.88309    8.6279005   -1076.2671   -1067.6392 
-   32000          3.2  0.076457382    1003.1513     271.1038   -13.895783    8.7256861   -1076.3649   -1067.6392 
-   32050        3.205   0.07645731     1001.503    271.56962   -13.890494    8.7406789   -1076.3799   -1067.6392 
-   32100         3.21  0.076457342    1028.1672    270.88408   -13.884736    8.7186143   -1076.3578   -1067.6392 
-   32150        3.215  0.076457246    1043.2279    270.60923   -13.897305     8.709768    -1076.349   -1067.6392 
-   32200         3.22  0.076457163    1061.7278    269.95561   -13.919101     8.688731    -1076.328   -1067.6392 
-   32250        3.225  0.076457192    1099.7924    267.40921   -13.929905    8.6067729    -1076.246   -1067.6392 
-   32300         3.23   0.07645728     1115.399    262.77167   -13.926581    8.4575103   -1076.0967   -1067.6392 
-   32350        3.235  0.076457358    1107.8892    257.08093   -13.924138    8.2743494   -1075.9136   -1067.6392 
-   32400         3.24  0.076457338    1118.6333    252.33081   -13.927952    8.1214629   -1075.7607   -1067.6392 
-   32450        3.245  0.076457214    1128.4292    251.44519   -13.927409    8.0929586   -1075.7322   -1067.6392 
-   32500         3.25  0.076457246    1127.0405    254.99795   -13.916976    8.2073069   -1075.8465   -1067.6392 
-   32550        3.255  0.076457307    1140.3298    259.54929   -13.905249    8.3537953    -1075.993   -1067.6392 
-   32600         3.26  0.076457287    1141.9087    261.74213   -13.898995    8.4243735   -1076.0636   -1067.6392 
-   32650        3.265  0.076457265    1125.1087    260.48084   -13.894888    8.3837781    -1076.023   -1067.6392 
-   32700         3.27  0.076457288    1107.2451    256.23647    -13.88768    8.2471695   -1075.8864   -1067.6392 
-   32750        3.275  0.076457331    1106.2294    250.66639   -13.887159    8.0678924   -1075.7071   -1067.6392 
-   32800         3.28  0.076457361    1102.8873     245.7362   -13.901525    7.9092104   -1075.5484   -1067.6392 
-   32850        3.285    0.0764573    1073.7918    243.36584   -13.927674    7.8329184   -1075.4721   -1067.6392 
-   32900         3.29  0.076457246    1038.3344    245.33181    -13.96315    7.8961946   -1075.5354   -1067.6392 
-   32950        3.295  0.076457262    1052.5387    251.76398   -14.002376     8.103219   -1075.7424   -1067.6392 
-   33000          3.3  0.076457271    1099.7091    260.70233   -14.040774    8.3909068   -1076.0301   -1067.6392 
-   33050        3.305  0.076457299    1122.3662    269.29951   -14.075396    8.6676137   -1076.3068   -1067.6392 
-   33100         3.31  0.076457348    1133.2046    274.78945   -14.097368    8.8443117   -1076.4835   -1067.6392 
-   33150        3.315  0.076457345    1144.5149    275.86818   -14.112263    8.8790314   -1076.5183   -1067.6392 
-   33200         3.32  0.076457354    1152.0065    273.20166   -14.133828    8.7932075   -1076.4324   -1067.6392 
-   33250        3.325  0.076457309    1165.8775    268.65705   -14.161563    8.6469357   -1076.2862   -1067.6392 
-   33300         3.33  0.076457216    1161.3025    264.27145   -14.185104    8.5057818    -1076.145   -1067.6392 
-   33350        3.335  0.076457256    1163.6382    261.21763   -14.196243    8.4074921   -1076.0467   -1067.6392 
-   33400         3.34  0.076457414    1170.8832    259.37361   -14.192673     8.348141   -1075.9874   -1067.6392 
-   33450        3.345  0.076457435    1147.1567    258.47673   -14.188523    8.3192742   -1075.9585   -1067.6392 
-   33500         3.35  0.076457365    1105.1155    258.65363   -14.192309    8.3249679   -1075.9642   -1067.6392 
-   33550        3.355   0.07645739    1090.5352    260.22936   -14.198584    8.3756839   -1076.0149   -1067.6392 
-   33600         3.36  0.076457404    1090.7024    263.15737   -14.207014     8.469924   -1076.1092   -1067.6392 
-   33650        3.365  0.076457298    1076.4632    266.48318   -14.215356     8.576968   -1076.2162   -1067.6392 
-   33700         3.37  0.076457283    1073.0859    269.43944   -14.224471    8.6721174   -1076.3113   -1067.6392 
-   33750        3.375  0.076457376    1089.3381    271.89961   -14.244593    8.7512999   -1076.3905   -1067.6392 
-   33800         3.38  0.076457435    1103.4612    273.25721   -14.276978    8.7949953   -1076.4342   -1067.6392 
-   33850        3.385  0.076457308    1111.4346    272.37848   -14.311851    8.7667127   -1076.4059   -1067.6392 
-   33900         3.39  0.076457152    1121.3405    268.69095   -14.338922    8.6480268   -1076.2873   -1067.6392 
-   33950        3.395  0.076457254      1157.28    262.95636   -14.353057    8.4634547   -1076.1027   -1067.6392 
-   34000          3.4  0.076457397    1196.7048    257.60289   -14.365288    8.2911489   -1075.9304   -1067.6392 
-   34050        3.405  0.076457474    1195.8072    255.33311   -14.384718    8.2180942   -1075.8573   -1067.6392 
-   34100         3.41  0.076457516    1168.6865    257.33079   -14.404595    8.2823911   -1075.9216   -1067.6392 
-   34150        3.415  0.076457484    1150.4642    263.06466   -14.423569    8.4669403   -1076.1062   -1067.6392 
-   34200         3.42  0.076457454    1145.8816    270.24631   -14.440471    8.6980873   -1076.3373   -1067.6392 
-   34250        3.425  0.076457414    1150.0173    275.63341   -14.450898    8.8714751   -1076.5107   -1067.6392 
-   34300         3.43  0.076457415    1133.3958    276.80837   -14.458349    8.9092922   -1076.5485   -1067.6392 
-   34350        3.435  0.076457417    1105.4056    273.08081   -14.468157    8.7893178   -1076.4286   -1067.6392 
-   34400         3.44   0.07645741    1103.7812    265.31563   -14.480189    8.5393893   -1076.1786   -1067.6392 
-   34450        3.445  0.076457445      1111.05    255.73892   -14.490895    8.2311555   -1075.8704   -1067.6392 
-   34500         3.45  0.076457521    1110.7118    247.85989    -14.49958    7.9775629   -1075.6168   -1067.6392 
-   34550        3.455  0.076457579    1130.7725    245.33622   -14.510207    7.8963366   -1075.5356   -1067.6392 
-   34600         3.46   0.07645756    1160.5408    249.98597   -14.528291    8.0459926   -1075.6852   -1067.6392 
-   34650        3.465  0.076457475    1173.3904    260.77724   -14.552952     8.393318   -1076.0325   -1067.6392 
-   34700         3.47  0.076457459    1180.1124    274.58004    -14.57703    8.8375718   -1076.4768   -1067.6392 
-   34750        3.475  0.076457431      1180.26    287.50066   -14.596337    9.2534319   -1076.8927   -1067.6392 
-   34800         3.48  0.076457427    1168.0204    296.32134   -14.616838    9.5373322   -1077.1766   -1067.6392 
-   34850        3.485  0.076457533    1160.6555    299.11042   -14.639374    9.6271011   -1077.2663   -1067.6392 
-   34900         3.49  0.076457572    1154.8977    295.41469   -14.653836    9.5081511   -1077.1474   -1067.6392 
-   34950        3.495  0.076457515    1144.2382    286.47523   -14.655017    9.2204277   -1076.8597   -1067.6392 
-   35000          3.5  0.076457456    1136.3462    275.07037   -14.654715    8.8533533   -1076.4926   -1067.6392 
-   35050        3.505  0.076457435    1137.4511     264.5464   -14.667149    8.5146312   -1076.1539   -1067.6392 
-   35100         3.51  0.076457336    1147.1459    257.28562   -14.689408    8.2809373   -1075.9202   -1067.6392 
-   35150        3.515  0.076457286     1150.785    253.77586   -14.702669     8.167973   -1075.8072   -1067.6392 
-   35200         3.52  0.076457352    1139.7459    253.69403    -14.69943    8.1653391   -1075.8046   -1067.6392 
-   35250        3.525  0.076457425      1116.52    256.58494   -14.694772    8.2583854   -1075.8976   -1067.6392 
-   35300         3.53   0.07645748    1111.2173    261.10191     -14.6981    8.4037676    -1076.043   -1067.6392 
-   35350        3.535  0.076457452    1135.6446    265.79828   -14.707669     8.554924   -1076.1942   -1067.6392 
-   35400         3.54  0.076457288    1139.7867    270.36596   -14.724124    8.7019382   -1076.3412   -1067.6392 
-   35450        3.545  0.076457217    1102.2707    274.78594   -14.743394    8.8441988   -1076.4834   -1067.6392 
-   35500         3.55  0.076457301    1090.3939    278.40484   -14.763703    8.9606757   -1076.5999   -1067.6392 
-   35550        3.555  0.076457358    1123.8334    280.40441   -14.795776    9.0250337   -1076.6643   -1067.6392 
-   35600         3.56  0.076457339    1139.5536    280.69755   -14.849214    9.0344686   -1076.6737   -1067.6392 
-   35650        3.565  0.076457352    1140.7103    280.04749   -14.917058    9.0135457   -1076.6528   -1067.6392 
-   35700         3.57  0.076457331    1142.1674    279.62947   -14.981817    9.0000914   -1076.6393   -1067.6392 
-   35750        3.575   0.07645736    1144.6546    281.13135   -15.039973    9.0484306   -1076.6877   -1067.6392 
-   35800         3.58  0.076457452    1144.7784    285.20803   -15.085998    9.1796418   -1076.8189   -1067.6392 
-   35850        3.585  0.076457435    1129.3741    290.12224   -15.107991    9.3378094    -1076.977   -1067.6392 
-   35900         3.59  0.076457393      1112.74    293.01297    -15.11219      9.43085   -1077.0701   -1067.6392 
-   35950        3.595  0.076457348    1103.3623    292.03339   -15.117469    9.3993213   -1077.0386   -1067.6392 
-   36000          3.6  0.076457342    1092.3592    288.39522   -15.133694     9.282224   -1076.9215   -1067.6392 
-   36050        3.605  0.076457368    1097.7068    284.33868    -15.15275    9.1516611   -1076.7909   -1067.6392 
-   36100         3.61  0.076457447    1089.6532     278.3984    -15.16353    8.9604684   -1076.5997   -1067.6392 
-   36150        3.615  0.076457405    1081.2352    270.14161    -15.16929    8.6947173   -1076.3339   -1067.6392 
-   36200         3.62  0.076457246    1076.5583    262.87042   -15.178409    8.4606885   -1076.0999   -1067.6392 
-   36250        3.625  0.076457235    1061.0661    259.62181     -15.1944    8.3561296   -1075.9954   -1067.6392 
-   36300         3.63   0.07645747    1050.7866    261.15131   -15.213791    8.4053577   -1076.0446   -1067.6392 
-   36350        3.635  0.076457644    1053.0141    266.64658   -15.238262    8.5822271   -1076.2215   -1067.6392 
-   36400         3.64  0.076457572    1037.7841    274.52553   -15.272383    8.8358172    -1076.475   -1067.6392 
-   36450        3.645  0.076457433    1003.6397    283.25391    -15.31747    9.1167468    -1076.756   -1067.6392 
-   36500         3.65  0.076457386    978.50118    290.76048   -15.359824    9.3583516   -1076.9976   -1067.6392 
-   36550        3.655  0.076457382    954.71445     294.4333   -15.380916    9.4765644   -1077.1158   -1067.6392 
-   36600         3.66  0.076457454     934.6731    293.09974   -15.381452    9.4336425   -1077.0729   -1067.6392 
-   36650        3.665  0.076457485    917.05162    288.19168   -15.372846    9.2756729   -1076.9149   -1067.6392 
-   36700         3.67  0.076457404    904.52028    282.67475   -15.369934    9.0981062   -1076.7373   -1067.6392 
-   36750        3.675  0.076457354    922.86218    278.65706   -15.385872    8.9687938    -1076.608   -1067.6392 
-   36800         3.68  0.076457377    950.29972    276.39567   -15.411585    8.8960092   -1076.5352   -1067.6392 
-   36850        3.685  0.076457379    947.97462    275.42079   -15.423194     8.864632   -1076.5039   -1067.6392 
-   36900         3.69  0.076457359    941.51877    276.16385   -15.417289    8.8885477   -1076.5278   -1067.6392 
-   36950        3.695  0.076457353     956.9108    279.42747   -15.409523      8.99359   -1076.6328   -1067.6392 
-   37000          3.7  0.076457317    971.60851    284.78002   -15.412025     9.165866   -1076.8051   -1067.6392 
-   37050        3.705  0.076457306    982.77877    290.53372   -15.432887    9.3510532   -1076.9903   -1067.6392 
-   37100         3.71  0.076457343    997.15237    294.70552   -15.468502    9.4853259   -1077.1246   -1067.6392 
-   37150        3.715  0.076457385    1016.0615    296.28658    -15.49906    9.5362134   -1077.1754   -1067.6392 
-   37200         3.72  0.076457326    1051.0664    296.04901   -15.514614    9.5285671   -1077.1678   -1067.6392 
-   37250        3.725  0.076457371    1089.2886    295.21317   -15.526145     9.501665   -1077.1409   -1067.6392 
-   37300         3.73  0.076457452    1106.1528    293.87568   -15.548007    9.4586168   -1077.0978   -1067.6392 
-   37350        3.735  0.076457445    1104.2757    291.48449   -15.577866    9.3816546   -1077.0209   -1067.6392 
-   37400         3.74  0.076457331    1085.4998    288.23588   -15.602969    9.2770954   -1076.9163   -1067.6392 
-   37450        3.745  0.076457268    1062.8115    285.35794   -15.620806    9.1844668   -1076.8237   -1067.6392 
-   37500         3.75  0.076457259    1070.5416    284.37772   -15.640178    9.1529175   -1076.7921   -1067.6392 
-   37550        3.755  0.076457261    1092.7901     285.9339   -15.668545    9.2030045   -1076.8422   -1067.6392 
-   37600         3.76  0.076457268    1115.2985    288.69513   -15.700277    9.2918767   -1076.9311   -1067.6392 
-   37650        3.765  0.076457312    1142.7167    290.22268   -15.717189    9.3410421   -1076.9803   -1067.6392 
-   37700         3.77  0.076457266    1159.0972    289.01456   -15.704132    9.3021579   -1076.9414   -1067.6392 
-   37750        3.775  0.076457153    1167.8654    285.54867   -15.672789    9.1906054   -1076.8298   -1067.6392 
-   37800         3.78  0.076457127    1147.6845    281.59483   -15.654861    9.0633481   -1076.7026   -1067.6392 
-   37850        3.785  0.076457194    1112.0309    278.61486   -15.657502    8.9674356   -1076.6067   -1067.6392 
-   37900         3.79  0.076457284    1085.8713    277.75431   -15.666153    8.9397381    -1076.579   -1067.6392 
-   37950        3.795  0.076457256    1063.8837    280.32673   -15.681907    9.0225334   -1076.6618   -1067.6392 
-   38000          3.8  0.076457157    1076.2096    286.41182   -15.708072    9.2183866   -1076.8576   -1067.6392 
-   38050        3.805  0.076457093    1101.2483    293.93325   -15.728993    9.4604696   -1077.0997   -1067.6392 
-   38100         3.81  0.076457058    1093.1319    300.15342   -15.736321    9.6606707   -1077.2999   -1067.6392 
-   38150        3.815  0.076457144    1052.1314    302.93086    -15.72822    9.7500647   -1077.3893   -1067.6392 
-   38200         3.82  0.076457165    1022.6071    302.06991   -15.711588    9.7223544   -1077.3616   -1067.6392 
-   38250        3.825  0.076457122    1033.0652    299.22877   -15.705515    9.6309102   -1077.2701   -1067.6392 
-   38300         3.83  0.076457164    1062.0732    295.72691   -15.720213    9.5182002   -1077.1574   -1067.6392 
-   38350        3.835  0.076457203    1064.4455    291.57116    -15.75021     9.384444   -1077.0237   -1067.6392 
-   38400         3.84  0.076457185    1056.9879    286.00051   -15.778615    9.2051482   -1076.8444   -1067.6392 
-   38450        3.845  0.076457163     1051.055    278.73145   -15.794206     8.971188   -1076.6104   -1067.6392 
-   38500         3.85  0.076457045    1043.4921    270.84089   -15.799919    8.7172241   -1076.3565   -1067.6392 
-   38550        3.855   0.07645701    1047.2952     264.8644    -15.80707    8.5248663   -1076.1641   -1067.6392 
-   38600         3.86  0.076457105    1066.4021    263.59538   -15.821774    8.4840218   -1076.1232   -1067.6392 
-   38650        3.865  0.076457109    1081.5763    268.25027   -15.841226    8.6338433   -1076.2731   -1067.6392 
-   38700         3.87  0.076457016    1072.3855    277.54565   -15.859692     8.933022   -1076.5723   -1067.6392 
-   38750        3.875  0.076456913    1054.1463    288.47412   -15.875746    9.2847635    -1076.924   -1067.6392 
-   38800         3.88  0.076456918     1046.099    297.63078    -15.88286    9.5794778   -1077.2187   -1067.6392 
-   38850        3.885  0.076456965    1035.9503    302.79444   -15.874155     9.745674   -1077.3849   -1067.6392 
-   38900         3.89  0.076456968    1006.8277    304.00878   -15.862675    9.7847584    -1077.424   -1067.6392 
-   38950        3.895  0.076456992    982.30541    302.68425   -15.866243    9.7421275   -1077.3814   -1067.6392 
-   39000          3.9  0.076457051    964.15884      300.333   -15.885469    9.6664508   -1077.3057   -1067.6392 
-   39050        3.905   0.07645708    963.47178    297.96261   -15.907738    9.5901579   -1077.2294   -1067.6392 
-   39100         3.91   0.07645707    982.39789    295.77017   -15.919704    9.5195926   -1077.1588   -1067.6392 
-   39150        3.915   0.07645701    986.19343    293.76453   -15.921564    9.4550395   -1077.0943   -1067.6392 
-   39200         3.92  0.076456973    973.23149    292.25935   -15.917749     9.406594   -1077.0458   -1067.6392 
-   39250        3.925   0.07645699     956.8331    292.06244   -15.915109    9.4002564   -1077.0395   -1067.6392 
-   39300         3.93  0.076457091    947.66562    293.77507   -15.928151    9.4553785   -1077.0946   -1067.6392 
-   39350        3.935  0.076457197     953.8454    296.30939    -15.95971    9.5369477   -1077.1762   -1067.6392 
-   39400         3.94  0.076457123      941.598    297.57903   -16.001499    9.5778122    -1077.217   -1067.6392 
-   39450        3.945  0.076456979    937.81347    295.88089   -16.028812    9.5231561   -1077.1624   -1067.6392 
-   39500         3.95  0.076456966    972.55148    291.44854   -16.022183    9.3804973   -1077.0197   -1067.6392 
-   39550        3.955  0.076456998    1016.9451    286.92489   -16.003393    9.2349002   -1076.8741   -1067.6392 
-   39600         3.96  0.076457077    1044.6221    284.67636   -16.001645    9.1625296   -1076.8018   -1067.6392 
-   39650        3.965  0.076457123    1054.2122    285.21332   -16.024476     9.179812    -1076.819   -1067.6392 
-   39700         3.97    0.0764571    1065.5507     287.8143   -16.060544    9.2635265   -1076.9028   -1067.6392 
-   39750        3.975  0.076457084    1090.1167    291.49835   -16.091023    9.3821005   -1077.0213   -1067.6392 
-   39800         3.98  0.076457092    1088.6899    295.37171   -16.105973    9.5067677    -1077.146   -1067.6392 
-   39850        3.985  0.076457119    1048.7529    298.22527   -16.109259    9.5986118   -1077.2378   -1067.6392 
-   39900         3.99  0.076457095     1002.706    298.65816    -16.11916    9.6125446   -1077.2518   -1067.6392 
-   39950        3.995  0.076457007    987.02608    295.67741   -16.143138    9.5166068   -1077.1558   -1067.6392 
-   40000            4  0.076456959    991.32371    290.38741   -16.167165    9.3463442   -1076.9856   -1067.6392 
-   40050        4.005  0.076456996    1005.4007    286.06135   -16.191789    9.2071066   -1076.8463   -1067.6392 
-   40100         4.01  0.076457058    1012.3385     284.2928   -16.225309    9.1501844   -1076.7894   -1067.6392 
-   40150        4.015  0.076457022    981.99522    284.09917   -16.253328    9.1439521   -1076.7832   -1067.6392 
-   40200         4.02  0.076457038    941.79789    284.62665   -16.265654    9.1609297   -1076.8002   -1067.6392 
-   40250        4.025  0.076457083    937.71916    286.12641   -16.277424    9.2092004   -1076.8484   -1067.6392 
-   40300         4.03  0.076457088    965.18662     288.6347   -16.293112    9.2899318   -1076.9292   -1067.6392 
-   40350        4.035  0.076457059    1017.9185    291.81257   -16.296246    9.3922139   -1077.0314   -1067.6392 
-   40400         4.04  0.076456957    1076.0557    296.38482   -16.287869    9.5393756   -1077.1786   -1067.6392 
-   40450        4.045  0.076456887    1095.6373    303.83922   -16.288858     9.779301   -1077.4185   -1067.6392 
-   40500         4.05  0.076456882    1073.7393    314.05155   -16.311397    10.107993   -1077.7472   -1067.6392 
-   40550        4.055  0.076456904    1044.4103    323.76759   -16.342897    10.420711   -1078.0599   -1067.6392 
-   40600         4.06  0.076457029    1034.8473    329.10878   -16.368322    10.592622   -1078.2319   -1067.6392 
-   40650        4.065  0.076457135    1060.2685    328.20348   -16.381961    10.563484   -1078.2027   -1067.6392 
-   40700         4.07  0.076457112    1074.3918    321.48063   -16.381837    10.347104   -1077.9863   -1067.6392 
-   40750        4.075  0.076457033    1068.0033    311.42134   -16.370626    10.023338   -1077.6626   -1067.6392 
-   40800         4.08  0.076457002    1062.9309    301.40533   -16.356398    9.7009645   -1077.3402   -1067.6392 
-   40850        4.085  0.076457035    1060.5178    293.82988   -16.353033    9.4571427   -1077.0964   -1067.6392 
-   40900         4.09  0.076457118    1042.7869    289.64315    -16.36814    9.3223897   -1076.9616   -1067.6392 
-   40950        4.095  0.076457102    1018.1514     288.9377   -16.391984    9.2996841   -1076.9389   -1067.6392 
-   41000          4.1  0.076457101    1008.7893    291.04209   -16.410378    9.3674155   -1077.0066   -1067.6392 
-   41050        4.105  0.076457128    1003.0943    294.82137   -16.429591    9.4890547   -1077.1283   -1067.6392 
-   41100         4.11   0.07645713    988.07337    298.92586   -16.468813    9.6211607   -1077.2604   -1067.6392 
-   41150        4.115  0.076457209    989.22727    301.53433   -16.530448    9.7051164   -1077.3443   -1067.6392 
-   41200         4.12  0.076457137    995.23968     300.7184    -16.59589    9.6788552   -1077.3181   -1067.6392 
-   41250        4.125  0.076457081    985.88397    295.87985   -16.651304    9.5231227   -1077.1624   -1067.6392 
-   41300         4.13  0.076457157    984.43258    288.32296   -16.693415    9.2798984   -1076.9191   -1067.6392 
-   41350        4.135  0.076457193    1006.7996    280.67631   -16.722715     9.033785    -1076.673   -1067.6392 
-   41400         4.14  0.076457144    1035.0581    275.89522   -16.743941    8.8799019   -1076.5191   -1067.6392 
-   41450        4.145  0.076457091     1055.193    276.48914   -16.770034    8.8990177   -1076.5382   -1067.6392 
-   41500         4.15  0.076457094     1049.464    282.98604    -16.80422    9.1081253   -1076.7474   -1067.6392 
-   41550        4.155  0.076457138    1033.4498    293.55036   -16.837757     9.448146   -1077.0874   -1067.6392 
-   41600         4.16  0.076457177    1025.5053    305.59852   -16.868232    9.8359254   -1077.4752   -1067.6392 
-   41650        4.165  0.076457144    1030.3407    316.75401     -16.9012    10.194974   -1077.8342   -1067.6392 
-   41700         4.17  0.076457109    1042.8576    325.10515   -16.941062    10.463762    -1078.103   -1067.6392 
-   41750        4.175  0.076457116    1041.7476    329.79088   -16.983477    10.614575   -1078.2538   -1067.6392 
-   41800         4.18  0.076457129    1021.8465    330.97667   -17.012787    10.652741    -1078.292   -1067.6392 
-   41850        4.185  0.076457027    1009.1192    329.54708   -17.026799    10.606729    -1078.246   -1067.6392 
-   41900         4.19  0.076457044    1009.0074    326.75477   -17.042781    10.516856   -1078.1561   -1067.6392 
-   41950        4.195  0.076457158    1008.7758    323.40391   -17.062093    10.409006   -1078.0482   -1067.6392 
-   42000          4.2  0.076457147    1005.3634    320.10432   -17.080158    10.302806    -1077.942   -1067.6392 
-   42050        4.205  0.076457115    991.88405    317.33885    -17.10087    10.213797    -1077.853   -1067.6392 
-   42100         4.21  0.076457042    980.63929      315.014   -17.130865     10.13897   -1077.7782   -1067.6392 
-   42150        4.215  0.076456975    998.50297    312.63763   -17.172141    10.062485   -1077.7017   -1067.6392 
-   42200         4.22   0.07645708    1026.9562    310.54725   -17.204551    9.9952042   -1077.6344   -1067.6392 
-   42250        4.225   0.07645718    1024.8324    310.92967   -17.213513    10.007513   -1077.6467   -1067.6392 
-   42300         4.23  0.076457083    1017.3813    314.39712   -17.205294    10.119115   -1077.7583   -1067.6392 
-   42350        4.235  0.076457003    1012.2184    317.86117   -17.191657    10.230608   -1077.8698   -1067.6392 
-   42400         4.24  0.076457062    1014.6726    317.97177    -17.18376    10.234168   -1077.8734   -1067.6392 
-   42450        4.245  0.076457115    1041.0192    313.50056     -17.1786    10.090259   -1077.7295   -1067.6392 
-   42500         4.25  0.076457027    1065.6231    305.46596   -17.164761    9.8316589   -1077.4709   -1067.6392 
-   42550        4.255  0.076456955     1061.963    296.42889   -17.133558     9.540794     -1077.18   -1067.6392 
-   42600         4.26  0.076457002     1048.971    289.79488   -17.095891     9.327273   -1076.9665   -1067.6392 
-   42650        4.265  0.076457008    1015.7483    288.18363   -17.073381    9.2754137   -1076.9146   -1067.6392 
-   42700         4.27  0.076456971    966.63074    291.62369    -17.06781    9.3861349   -1077.0254   -1067.6392 
-   42750        4.275  0.076456941     937.2059    298.17523   -17.069236    9.5970012   -1077.2362   -1067.6392 
-   42800         4.28  0.076456915    941.41873    305.73809   -17.079494    9.8404177   -1077.4796   -1067.6392 
-   42850        4.285  0.076456844    968.97273    312.62631   -17.099416     10.06212   -1077.7014   -1067.6392 
-   42900         4.29  0.076456817    989.21318     317.5486   -17.113085    10.220548   -1077.8598   -1067.6392 
-   42950        4.295   0.07645684    1007.6816    320.37965   -17.114449    10.311668   -1077.9509   -1067.6392 
-   43000          4.3  0.076456884    1017.4556     321.9046   -17.116189    10.360749        -1078   -1067.6392 
-   43050        4.305  0.076456934    997.36098    322.79504   -17.129186    10.389409   -1078.0286   -1067.6392 
-   43100         4.31  0.076456922     976.5255    323.56991   -17.161651    10.414349   -1078.0536   -1067.6392 
-   43150        4.315  0.076456789    965.28563    323.98987   -17.208478    10.427865   -1078.0671   -1067.6392 
-   43200         4.32  0.076456656      976.013    322.91929   -17.253423    10.393408   -1078.0326   -1067.6392 
-   43250        4.325   0.07645674    986.91303    319.71702   -17.290058     10.29034   -1077.9296   -1067.6392 
-   43300         4.33  0.076456855    994.50735    315.51655   -17.319905    10.155145   -1077.7944   -1067.6392 
-   43350        4.335  0.076456913    992.09776    312.98202   -17.344711    10.073569   -1077.7128   -1067.6392 
-   43400         4.34  0.076456873    993.00971    314.05271   -17.361697     10.10803   -1077.7473   -1067.6392 
-   43450        4.345  0.076456881    1011.1756    318.25407   -17.363193    10.243254   -1077.8825   -1067.6392 
-   43500         4.35  0.076456916    1022.1325    324.00289   -17.356684    10.428285   -1078.0675   -1067.6392 
-   43550        4.355  0.076456894    1001.5952    329.50567    -17.36965    10.605396   -1078.2446   -1067.6392 
-   43600         4.36  0.076456787    990.25729    331.52244   -17.398294    10.670307   -1078.3095   -1067.6392 
-   43650        4.365  0.076456812    1014.8329    327.94176   -17.418135     10.55506   -1078.1943   -1067.6392 
-   43700         4.37  0.076456927    1009.9859    320.07607   -17.423852    10.301897   -1077.9411   -1067.6392 
-   43750        4.375  0.076456903      969.415    310.42468   -17.431775    9.9912593   -1077.6305   -1067.6392 
-   43800         4.38  0.076456845     959.2175    300.83991   -17.450035    9.6827659    -1077.322   -1067.6392 
-   43850        4.385  0.076456904    972.76707    292.38261   -17.458814    9.4105611   -1077.0498   -1067.6392 
-   43900         4.39  0.076456967    1000.7902    286.33658   -17.440879     9.215965   -1076.8552   -1067.6392 
-   43950        4.395  0.076456908    1023.9806     285.0775   -17.417685    9.1754407   -1076.8147   -1067.6392 
-   44000          4.4  0.076456873     1016.312    289.59884   -17.414064    9.3209636   -1076.9602   -1067.6392 
-   44050        4.405  0.076456899    1002.0937    297.58236   -17.427534    9.5779192   -1077.2171   -1067.6392 
-   44100         4.41  0.076456992    979.49413    305.48344   -17.460189    9.8322216   -1077.4715   -1067.6392 
-   44150        4.415  0.076456954    957.12038    310.16996   -17.500467     9.983061   -1077.6223   -1067.6392 
-   44200         4.42  0.076456909    969.36774    310.67664   -17.517203    9.9993688   -1077.6386   -1067.6392 
-   44250        4.425  0.076457034     990.1925     309.6621   -17.501366     9.966715   -1077.6059   -1067.6392 
-   44300         4.43  0.076457126    997.07426    311.42685    -17.48063    10.023515   -1077.6627   -1067.6392 
-   44350        4.435  0.076457073     1012.156    317.95445   -17.477266    10.233611   -1077.8728   -1067.6392 
-   44400         4.44  0.076456939    1014.2778    328.00805   -17.482372    10.557194   -1078.1964   -1067.6392 
-   44450        4.445  0.076456926    999.33044    339.05571   -17.484164    10.912771    -1078.552   -1067.6392 
-   44500         4.45  0.076457063    992.03592    348.59795   -17.490492    11.219896   -1078.8591   -1067.6392 
-   44550        4.455  0.076457102    1000.0606    354.61439    -17.51719    11.413539   -1079.0528   -1067.6392 
-   44600         4.46  0.076456962    996.40689    355.89465   -17.569196    11.454745    -1079.094   -1067.6392 
-   44650        4.465  0.076456921    982.66296    351.92721   -17.625938     11.32705   -1078.9663   -1067.6392 
-   44700         4.47  0.076457079    980.49035    343.41935   -17.667243    11.053218   -1078.6925   -1067.6392 
-   44750        4.475  0.076457159    979.21197    332.02069    -17.68549    10.686344   -1078.3256   -1067.6392 
-   44800         4.48  0.076457107    992.32881    320.06951   -17.687575    10.301685   -1077.9409   -1067.6392 
-   44850        4.485  0.076456963    1013.5196     310.0827   -17.693112    9.9802522   -1077.6195   -1067.6392 
-   44900         4.49  0.076456969    1001.5918    303.20339   -17.722904    9.7588364   -1077.3981   -1067.6392 
-   44950        4.495   0.07645701    980.51163    298.27852   -17.770105    9.6003255   -1077.2396   -1067.6392 
-   45000          4.5  0.076457008    965.95999    294.19092     -17.8048    9.4687631    -1077.108   -1067.6392 
-   45050        4.505  0.076457017    961.98916    292.94732   -17.819999    9.4287368    -1077.068   -1067.6392 
-   45100         4.51   0.07645703    971.83236    297.17494   -17.826582    9.5648062    -1077.204   -1067.6392 
-   45150        4.515  0.076457062     971.3126    305.34652   -17.830021    9.8278148    -1077.467   -1067.6392 
-   45200         4.52  0.076457088    967.70533    313.76007   -17.837312    10.098611   -1077.7378   -1067.6392 
-   45250        4.525  0.076457101    978.16788    320.28707   -17.856874    10.308688   -1077.9479   -1067.6392 
-   45300         4.53  0.076457058    976.86282    324.31727   -17.883352    10.438403   -1078.0776   -1067.6392 
-   45350        4.535  0.076457004    957.06022    326.51332   -17.908809    10.509085   -1078.1483   -1067.6392 
-   45400         4.54  0.076457052    942.23138    327.86211   -17.932213    10.552497   -1078.1917   -1067.6392 
-   45450        4.545   0.07645704    939.40207    328.25924   -17.946431    10.565278   -1078.2045   -1067.6392 
-   45500         4.55  0.076456984     936.0127    327.92287   -17.951349    10.554452   -1078.1937   -1067.6392 
-   45550        4.555  0.076456984    943.56455    327.95367   -17.956533    10.555444   -1078.1947   -1067.6392 
-   45600         4.56  0.076456952    970.72253     329.0502   -17.962098    10.590736     -1078.23   -1067.6392 
-   45650        4.565  0.076456987    995.14598    331.17156   -17.959883    10.659014   -1078.2982   -1067.6392 
-   45700         4.57  0.076457009    998.94348    333.51018   -17.947766    10.734284   -1078.3735   -1067.6392 
-   45750        4.575  0.076456926    989.53969    334.52552   -17.932792    10.766963   -1078.4062   -1067.6392 
-   45800         4.58  0.076456925    980.95008    333.13239   -17.931126    10.722125   -1078.3614   -1067.6392 
-   45850        4.585  0.076457115    959.08206    328.86879    -17.93416    10.584897   -1078.2241   -1067.6392 
-   45900         4.59  0.076457157    946.57457    322.43709   -17.923384    10.377888   -1078.0171   -1067.6392 
-   45950        4.595   0.07645705    952.85741    316.41194   -17.913842    10.183964   -1077.8232   -1067.6392 
-   46000          4.6  0.076456979    945.08309    313.54756   -17.919013    10.091772    -1077.731   -1067.6392 
-   46050        4.605  0.076457016    924.59556    315.06793   -17.927039    10.140706   -1077.7799   -1067.6392 
-   46100         4.61  0.076457109    914.10059    320.37764   -17.937025    10.311603   -1077.9508   -1067.6392 
-   46150        4.615  0.076457104     917.2827    327.12661   -17.957731    10.528824   -1078.1681   -1067.6392 
-   46200         4.62  0.076457168    920.84155    332.53739   -17.977107    10.702974   -1078.3422   -1067.6392 
-   46250        4.625  0.076457189    935.24004    335.24356   -17.979199    10.790074   -1078.4293   -1067.6392 
-   46300         4.63    0.0764571    956.82788    335.57661   -17.975075    10.800794     -1078.44   -1067.6392 
-   46350        4.635  0.076457031    962.26794    334.10104   -17.978152    10.753301   -1078.3925   -1067.6392 
-   46400         4.64  0.076457042     962.1098    331.07198   -17.987144    10.655809    -1078.295   -1067.6392 
-   46450        4.645  0.076457107    952.75718    326.27068   -17.988379    10.501275   -1078.1405   -1067.6392 
-   46500         4.65  0.076457159    948.45576    319.53501   -17.972857    10.284482   -1077.9237   -1067.6392 
-   46550        4.655  0.076457197    951.57922    312.18572   -17.950863     10.04794   -1077.6872   -1067.6392 
-   46600         4.66  0.076457169    953.72078    306.60692   -17.937745    9.8683816   -1077.5076   -1067.6392 
-   46650        4.665   0.07645714    969.19209    304.86187   -17.945815    9.8122157   -1077.4514   -1067.6392 
-   46700         4.67  0.076457121    982.50268    307.98161   -17.974576    9.9126272   -1077.5519   -1067.6392 
-   46750        4.675  0.076457149     974.5768    314.91384   -18.000917    10.135746    -1077.775   -1067.6392 
-   46800         4.68  0.076457222    954.17186     322.2853   -18.003497    10.373003   -1078.0122   -1067.6392 
-   46850        4.685  0.076457263      943.539    327.31716   -17.991456    10.534957   -1078.1742   -1067.6392 
-   46900         4.69  0.076457272     943.2156    329.68269   -17.979619    10.611093   -1078.2503   -1067.6392 
-   46950        4.695  0.076457248    943.45366    330.93325   -17.974243    10.651343   -1078.2906   -1067.6392 
-   47000          4.7  0.076457135    949.24404    332.85406   -17.979019    10.713166   -1078.3524   -1067.6392 
-   47050        4.705  0.076457109    948.38347    335.49431   -17.990033    10.798145   -1078.4374   -1067.6392 
-   47100         4.71  0.076457108    930.57759    336.79293   -18.000912    10.839942   -1078.4792   -1067.6392 
-   47150        4.715  0.076457061    927.62433    334.90723   -18.010023    10.779249   -1078.4185   -1067.6392 
-   47200         4.72  0.076457026    952.31461    330.77819   -18.012971    10.646353   -1078.2856   -1067.6392 
-   47250        4.725  0.076457029    970.41647    328.26943    -18.01237    10.565606   -1078.2048   -1067.6392 
-   47300         4.73   0.07645704     968.2995    329.56928   -18.014991    10.607443   -1078.2467   -1067.6392 
-   47350        4.735  0.076457096     954.1138    332.31723    -18.02454    10.695888   -1078.3351   -1067.6392 
-   47400         4.74   0.07645714    968.01812    333.90938   -18.038354    10.747133   -1078.3864   -1067.6392 
-   47450        4.745  0.076457183    1006.2574    334.70242   -18.050106    10.772657   -1078.4119   -1067.6392 
-   47500         4.75  0.076457147    1037.4547    335.39669   -18.062338    10.795003   -1078.4342   -1067.6392 
-   47550        4.755  0.076457004    1027.5546    333.98227    -18.07862    10.749479   -1078.3887   -1067.6392 
-   47600         4.76  0.076457078    986.81013    328.40773   -18.100384    10.570058   -1078.2093   -1067.6392 
-   47650        4.765  0.076457236    980.12421    319.46388   -18.120191    10.282193   -1077.9214   -1067.6392 
-   47700         4.77  0.076457087    973.75413    310.20532   -18.133538     9.984199   -1077.6234   -1067.6392 
-   47750        4.775  0.076456955    944.49227    304.05996   -18.150575    9.7864056   -1077.4256   -1067.6392 
-   47800         4.78  0.076457043    934.26558    302.74055    -18.16342    9.7439395   -1077.3832   -1067.6392 
-   47850        4.785  0.076457163     946.5867    306.50326   -18.158739    9.8650453   -1077.5043   -1067.6392 
-   47900         4.79  0.076457207    956.86274    314.93949    -18.15119    10.136572   -1077.7758   -1067.6392 
-   47950        4.795   0.07645715    958.82327    326.06488   -18.164425    10.494651   -1078.1339   -1067.6392 
-   48000          4.8  0.076457039    947.13341     336.0645   -18.196245    10.816497   -1078.4557   -1067.6392 
-   48050        4.805  0.076457079    939.87276    341.25341   -18.222449    10.983506   -1078.6227   -1067.6392 
-   48100         4.81  0.076457027    941.59608    340.87478   -18.232947    10.971319   -1078.6106   -1067.6392 
-   48150        4.815  0.076456851    947.69448    337.06143   -18.235444    10.848584   -1078.4878   -1067.6392 
-   48200         4.82  0.076456923     945.0083    331.93845   -18.226235    10.683697   -1078.3229   -1067.6392 
-   48250        4.825  0.076457065    955.23353    326.88598   -18.206503    10.521079   -1078.1603   -1067.6392 
-   48300         4.83  0.076457035    976.25082    323.10993   -18.198786    10.399544   -1078.0388   -1067.6392 
-   48350        4.835  0.076456918    980.22652    320.95231    -18.21424    10.330099   -1077.9693   -1067.6392 
-   48400         4.84   0.07645681    991.61794    319.56431   -18.236887    10.285425   -1077.9247   -1067.6392 
-   48450        4.845  0.076456811    1004.3973    319.00657   -18.259638    10.267474   -1077.9067   -1067.6392 
-   48500         4.85  0.076456872    1011.2382    320.78368   -18.281738    10.324672   -1077.9639   -1067.6392 
-   48550        4.855  0.076456865    1011.4359    325.48338   -18.293785    10.475935   -1078.1152   -1067.6392 
-   48600         4.86  0.076456844    1005.7488    332.46822   -18.305193    10.700748     -1078.34   -1067.6392 
-   48650        4.865  0.076456876    989.87609    340.85827   -18.332595    10.970788     -1078.61   -1067.6392 
-   48700         4.87   0.07645693    968.07155    348.89288   -18.372402    11.229388   -1078.8686   -1067.6392 
-   48750        4.875  0.076456873    954.48433    354.07093   -18.412323    11.396048   -1079.0353   -1067.6392 
-   48800         4.88  0.076456838    951.82821     354.8518   -18.445418    11.421181   -1079.0604   -1067.6392 
-   48850        4.885  0.076456946    955.18291    351.65785   -18.473652    11.318381   -1078.9576   -1067.6392 
-   48900         4.89  0.076457014    961.21122     345.9779   -18.498732    11.135567   -1078.7748   -1067.6392 
-   48950        4.895  0.076456863    971.60448    338.99359   -18.517002    10.910772     -1078.55   -1067.6392 
-   49000          4.9  0.076456715    983.55102    331.29604   -18.525123     10.66302   -1078.3022   -1067.6392 
-   49050        4.905  0.076456793    965.60848    324.24302   -18.535514    10.436013   -1078.0752   -1067.6392 
-   49100         4.91  0.076456864    944.53951    319.79955   -18.557009    10.292997   -1077.9322   -1067.6392 
-   49150        4.915  0.076456768    947.20225    319.09103   -18.582911    10.270192   -1077.9094   -1067.6392 
-   49200         4.92  0.076456734    944.86084    321.47471   -18.607567    10.346913   -1077.9861   -1067.6392 
-   49250        4.925  0.076456851     940.6342    324.66116   -18.626242    10.449471   -1078.0887   -1067.6392 
-   49300         4.93  0.076456872     950.6162     326.9518    -18.64032    10.523198   -1078.1624   -1067.6392 
-   49350        4.935  0.076456643    952.42705    328.08816   -18.649274    10.559772    -1078.199   -1067.6392 
-   49400         4.94  0.076456451    940.33548    329.05106    -18.66058    10.590764     -1078.23   -1067.6392 
-   49450        4.945  0.076456558    946.93554    331.05799   -18.683544    10.655358   -1078.2946   -1067.6392 
-   49500         4.95  0.076456719    968.13429     334.1178   -18.710726    10.753841   -1078.3931   -1067.6392 
-   49550        4.955  0.076456712    989.14725    337.02333   -18.733226    10.847357   -1078.4866   -1067.6392 
-   49600         4.96  0.076456681    986.97561    338.47429   -18.752155    10.894058   -1078.5333   -1067.6392 
-   49650        4.965  0.076456692    980.18259    338.36307   -18.779369    10.890478   -1078.5297   -1067.6392 
-   49700         4.97  0.076456776    962.29895    337.41689   -18.815353    10.860024   -1078.4993   -1067.6392 
-   49750        4.975  0.076456852    943.47442    335.97999   -18.836611    10.813777    -1078.453   -1067.6392 
-   49800         4.98  0.076456829    951.10385    334.29845   -18.839995    10.759655   -1078.3989   -1067.6392 
-   49850        4.985  0.076456797    968.57767    333.00568    -18.84792    10.718046   -1078.3573   -1067.6392 
-   49900         4.99  0.076456886    973.40031    332.98155   -18.860429     10.71727   -1078.3565   -1067.6392 
-   49950        4.995  0.076456914    964.32242    335.13156   -18.853933    10.786469   -1078.4257   -1067.6392 
-   50000            5  0.076456921    972.52311    340.63067   -18.841947    10.963463   -1078.6027   -1067.6392 
-Loop time of 90.4316 on 1 procs for 50000 steps with 250 atoms
-
-Performance: 4.777 ns/day, 5.024 hours/ns, 552.904 timesteps/s
-99.3% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 37.302     | 37.302     | 37.302     |   0.0 | 41.25
-Neigh   | 0.386      | 0.386      | 0.386      |   0.0 |  0.43
-Comm    | 0.7718     | 0.7718     | 0.7718     |   0.0 |  0.85
-Output  | 15.35      | 15.35      | 15.35      |   0.0 | 16.97
-Modify  | 36.465     | 36.465     | 36.465     |   0.0 | 40.32
-Other   |            | 0.1579     |            |       |  0.17
-
-Nlocal:    250 ave 250 max 250 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1327 ave 1327 max 1327 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    7747 ave 7747 max 7747 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  15494 ave 15494 max 15494 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 15494
-Ave neighs/atom = 61.976
-Neighbor list builds = 614
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:01:30
diff --git a/examples/SPIN/iron/log.11May18.spin.iron.g++.4 b/examples/SPIN/iron/log.11May18.spin.iron.g++.4
deleted file mode 100644
index 1467f8e2c58a451299cb375773ef76f43a1bb8bc..0000000000000000000000000000000000000000
--- a/examples/SPIN/iron/log.11May18.spin.iron.g++.4
+++ /dev/null
@@ -1,1115 +0,0 @@
-LAMMPS (11 May 2018)
-# bcc iron in a 3d periodic box
-
-clear
-units 		metal
-atom_style 	spin
-
-dimension 	3
-boundary 	p p p
-
-# necessary for the serial algorithm (sametag)
-atom_modify 	map array
-
-lattice 	bcc 2.8665
-Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
-region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 	1 box
-Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
-  1 by 2 by 2 MPI processor grid
-create_atoms 	1 box
-Created 250 atoms
-  Time spent = 0.00023818 secs
-
-# setting mass, mag. moments, and interactions for bcc iron
-
-mass		1 55.845
-
-set 		group all spin/random 31 2.2
-  250 settings made for spin/random
-velocity 	all create 100 4928459 rot yes dist gaussian
-
-pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
-pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
-pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
-
-neighbor 	0.1 bin
-neigh_modify 	every 10 check yes delay 20
-
-fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
-fix 		2 all langevin/spin 0.0 0.0 21
-
-fix 		3 all nve/spin lattice yes
-timestep	0.0001
-
-# compute and output options
-
-compute 	out_mag    all compute/spin
-compute 	out_pe     all pe
-compute 	out_ke     all ke
-compute 	out_temp   all temp
-
-variable 	magz      equal c_out_mag[3]
-variable 	magnorm   equal c_out_mag[4]
-variable 	emag      equal c_out_mag[5]
-variable 	tmag      equal c_out_mag[6]
-
-thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
-thermo          50
-
-compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
-
-run 		50000
-Neighbor list info ...
-  update every 10 steps, delay 20 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5.77337
-  ghost atom cutoff = 5.77337
-  binsize = 2.88668, bins = 5 5 5
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair eam/alloy, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-  (2) pair spin/exchange, perpetual
-      attributes: full, newton on
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.265 | 7.265 | 7.265 Mbytes
-Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
-       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
-      50        0.005  0.076456995    9402.4007    96.298333  -0.85659448    3.0994366   -1070.7387   -1067.6392 
-     100         0.01  0.076457028    9589.1846    86.330828  -0.87003341    2.7786247   -1070.4179   -1067.6392 
-     150        0.015  0.076457074    9673.9268    71.603402  -0.89006992    2.3046111   -1069.9438   -1067.6392 
-     200         0.02  0.076457106    9509.1148    54.648817  -0.91124541    1.7589146   -1069.3981   -1067.6392 
-     250        0.025  0.076457128      9004.27    38.599515  -0.93187522    1.2423553   -1068.8816   -1067.6392 
-     300         0.03  0.076457157    8353.4371    26.383018  -0.95082226    0.8491579   -1068.4884   -1067.6392 
-     350        0.035  0.076457207    7911.1316     20.01039  -0.96826468   0.64404992   -1068.2833   -1067.6392 
-     400         0.04  0.076457243    7775.9492    20.097682  -0.98706373   0.64685949   -1068.2861   -1067.6392 
-     450        0.045  0.076457231    7737.1225    25.687511   -1.0095684   0.82677249    -1068.466   -1067.6392 
-     500         0.05  0.076457204    7676.9809    34.604697   -1.0349855     1.113779    -1068.753   -1067.6392 
-     550        0.055  0.076457196    7550.2809    44.251809   -1.0609123    1.4242788   -1069.0635   -1067.6392 
-     600         0.06  0.076457188    7209.7657    52.475202   -1.0880854    1.6889551   -1069.3282   -1067.6392 
-     650        0.065   0.07645718    6691.1787    57.926479   -1.1179657    1.8644087   -1069.5036   -1067.6392 
-     700         0.07  0.076457185    6276.4003    60.030548   -1.1469999    1.9321298   -1069.5714   -1067.6392 
-     750        0.075   0.07645719    6149.9253    59.122504   -1.1721939    1.9029037   -1069.5421   -1067.6392 
-     800         0.08  0.076457195    6207.0587    56.349146   -1.1949365     1.813641   -1069.4529   -1067.6392 
-     850        0.085  0.076457199    6328.4635    53.154464   -1.2164642    1.7108177     -1069.35   -1067.6392 
-     900         0.09  0.076457199    6456.2716    50.837416   -1.2366018    1.6362417   -1069.2755   -1067.6392 
-     950        0.095  0.076457222    6495.1064    50.234549   -1.2539657    1.6168379   -1069.2561   -1067.6392 
-    1000          0.1  0.076457266     6416.775    51.592727   -1.2671834    1.6605519   -1069.2998   -1067.6392 
-    1050        0.105  0.076457256    6305.9015    54.719414   -1.2794824    1.7611868   -1069.4004   -1067.6392 
-    1100         0.11  0.076457222     6165.987     59.01343   -1.2960617    1.8993931   -1069.5386   -1067.6392 
-    1150        0.115  0.076457194    5941.7807    63.475298    -1.317859    2.0430017   -1069.6822   -1067.6392 
-    1200         0.12  0.076457182    5692.0982    67.036713   -1.3432854    2.1576286   -1069.7969   -1067.6392 
-    1250        0.125  0.076457217    5543.1736    68.917405   -1.3719994    2.2181602   -1069.8574   -1067.6392 
-    1300         0.13  0.076457263    5507.9968    68.753418   -1.4042339    2.2128821   -1069.8521   -1067.6392 
-    1350        0.135  0.076457286    5500.7848    66.608286   -1.4385667    2.1438394   -1069.7831   -1067.6392 
-    1400         0.14  0.076457254     5523.456    62.967429   -1.4712143    2.0266556   -1069.6659   -1067.6392 
-    1450        0.145  0.076457188    5501.5777     58.75732   -1.4990458      1.89115   -1069.5304   -1067.6392 
-    1500         0.15  0.076457175    5324.4931    55.246308   -1.5236774    1.7781453   -1069.4174   -1067.6392 
-    1550        0.155  0.076457234    5025.5908    53.607297   -1.5492947    1.7253925   -1069.3646   -1067.6392 
-    1600         0.16  0.076457297    4742.9546    54.443418   -1.5785798    1.7523036   -1069.3915   -1067.6392 
-    1650        0.165  0.076457321     4558.083    57.572305   -1.6113848    1.8530093   -1069.4922   -1067.6392 
-    1700         0.17  0.076457304    4479.4352    62.073307   -1.6443595    1.9978776   -1069.6371   -1067.6392 
-    1750        0.175  0.076457272    4520.5577    66.677964   -1.6742729     2.146082   -1069.7853   -1067.6392 
-    1800         0.18  0.076457253    4659.9114    70.277293   -1.7021557    2.2619292   -1069.9012   -1067.6392 
-    1850        0.185  0.076457257    4734.1597    72.135028   -1.7307798    2.3217219    -1069.961   -1067.6392 
-    1900         0.19  0.076457279    4632.2637    71.873382   -1.7598165    2.3133006   -1069.9525   -1067.6392 
-    1950        0.195  0.076457276    4496.6621     69.52131   -1.7866398    2.2375973   -1069.8768   -1067.6392 
-    2000          0.2  0.076457276    4507.4594     65.61098   -1.8106776    2.1117403    -1069.751   -1067.6392 
-    2050        0.205  0.076457288    4652.9279    61.016261   -1.8317479    1.9638557   -1069.6031   -1067.6392 
-    2100         0.21  0.076457307    4738.4188    56.745795   -1.8489776    1.8264074   -1069.4656   -1067.6392 
-    2150        0.215  0.076457279     4643.423    53.837376   -1.8647516    1.7327977    -1069.372   -1067.6392 
-    2200         0.22  0.076457215    4517.9871    53.044053   -1.8828305     1.707264   -1069.3465   -1067.6392 
-    2250        0.225   0.07645717    4436.4399    54.521839   -1.9038753    1.7548277   -1069.3941   -1067.6392 
-    2300         0.23  0.076457132    4318.8261    57.895634   -1.9276454    1.8634159   -1069.5026   -1067.6392 
-    2350        0.235  0.076457114    4148.8616    62.484473   -1.9559372    2.0111113   -1069.6503   -1067.6392 
-    2400         0.24  0.076457144    4014.8498    67.404243   -1.9902034    2.1694579   -1069.8087   -1067.6392 
-    2450        0.245  0.076457189     4004.017    71.654167   -2.0278558     2.306245   -1069.9455   -1067.6392 
-    2500         0.25  0.076457202    4109.5497    74.379393   -2.0629968    2.3939585   -1070.0332   -1067.6392 
-    2550        0.255  0.076457205    4251.6933    75.255112   -2.0918484    2.4221442   -1070.0614   -1067.6392 
-    2600         0.26  0.076457208    4320.6876    74.700611   -2.1169691    2.4042972   -1070.0435   -1067.6392 
-    2650        0.265  0.076457197    4297.5527    73.627823       -2.143    2.3697686    -1070.009   -1067.6392 
-    2700         0.27  0.076457213    4198.4852    72.957211   -2.1702374    2.3481845   -1069.9874   -1067.6392 
-    2750        0.275  0.076457256    4019.2384    73.353574   -2.1967187    2.3609417   -1070.0002   -1067.6392 
-    2800         0.28  0.076457288    3867.2492    75.083781   -2.2227117    2.4166298   -1070.0559   -1067.6392 
-    2850        0.285  0.076457302    3879.8471     77.82546   -2.2488766    2.5048728   -1070.1441   -1067.6392 
-    2900         0.29  0.076457321    4003.8986    80.741745   -2.2742584    2.5987357    -1070.238   -1067.6392 
-    2950        0.295  0.076457347    4026.6754    82.934399   -2.3001834     2.669308   -1070.3085   -1067.6392 
-    3000          0.3  0.076457334    3857.2183    83.701738   -2.3291113    2.6940054   -1070.3332   -1067.6392 
-    3050        0.305  0.076457295    3640.7581    82.615991   -2.3614721    2.6590598   -1070.2983   -1067.6392 
-    3100         0.31   0.07645725     3489.102    79.573679   -2.3943974    2.5611406   -1070.2004   -1067.6392 
-    3150        0.315  0.076457232    3396.4301    74.896125   -2.4236621    2.4105899   -1070.0498   -1067.6392 
-    3200         0.32  0.076457259      3378.11    69.450128   -2.4483292    2.2353063   -1069.8745   -1067.6392 
-    3250        0.325  0.076457289    3463.7734    64.542714   -2.4729224    2.0773573   -1069.7166   -1067.6392 
-    3300         0.33  0.076457318    3637.4971    61.346221    -2.500303    1.9744757   -1069.6137   -1067.6392 
-    3350        0.335  0.076457361    3833.5389    60.346704   -2.5252732    1.9423055   -1069.5815   -1067.6392 
-    3400         0.34  0.076457387    3965.2081    61.464125   -2.5426842    1.9782706   -1069.6175   -1067.6392 
-    3450        0.345  0.076457375    3976.7956     64.41797   -2.5565409    2.0733424   -1069.7126   -1067.6392 
-    3500         0.35  0.076457371    3862.8334    68.714547   -2.5743062     2.211631   -1069.8509   -1067.6392 
-    3550        0.355  0.076457375     3697.284    73.534942   -2.5974674    2.3667792    -1070.006   -1067.6392 
-    3600         0.36  0.076457362    3575.9012    77.902682   -2.6209385    2.5073583   -1070.1466   -1067.6392 
-    3650        0.365  0.076457345    3550.0667    81.043684   -2.6394846    2.6084539   -1070.2477   -1067.6392 
-    3700         0.37  0.076457309    3535.0981    82.730976     -2.65464    2.6627607    -1070.302   -1067.6392 
-    3750        0.375  0.076457309    3444.1795    83.322515   -2.6736085    2.6817998    -1070.321   -1067.6392 
-    3800         0.38  0.076457348    3323.7191    83.436143   -2.7008525     2.685457   -1070.3247   -1067.6392 
-    3850        0.385  0.076457368    3252.5404     83.62535   -2.7353937    2.6915468   -1070.3308   -1067.6392 
-    3900         0.39  0.076457344    3219.5349    84.088597   -2.7722909    2.7064568   -1070.3457   -1067.6392 
-    3950        0.395  0.076457316    3210.4164    84.636475   -2.8060651    2.7240906   -1070.3633   -1067.6392 
-    4000          0.4  0.076457319    3223.9708    85.042888   -2.8352998    2.7371713   -1070.3764   -1067.6392 
-    4050        0.405  0.076457335    3232.7108    85.266853   -2.8607963    2.7443798   -1070.3836   -1067.6392 
-    4100         0.41  0.076457314    3206.1428    85.444074   -2.8837721    2.7500838   -1070.3893   -1067.6392 
-    4150        0.415  0.076457325    3146.4589    85.771643   -2.9074131    2.7606269   -1070.3999   -1067.6392 
-    4200         0.42  0.076457395    3092.6283     86.24875   -2.9341331     2.775983   -1070.4152   -1067.6392 
-    4250        0.425   0.07645742    3103.0319    86.563557   -2.9622203    2.7861153   -1070.4253   -1067.6392 
-    4300         0.43  0.076457425    3116.9053    86.320099   -2.9880208    2.7782794   -1070.4175   -1067.6392 
-    4350        0.435  0.076457427    3061.2259    85.306966   -3.0085539    2.7456709   -1070.3849   -1067.6392 
-    4400         0.44  0.076457432    3033.5229    83.703441   -3.0243431    2.6940602   -1070.3333   -1067.6392 
-    4450        0.445  0.076457411    3042.5167    82.058057   -3.0397518    2.6411023   -1070.2803   -1067.6392 
-    4500         0.45  0.076457387    2994.5161    81.002427   -3.0597817     2.607126   -1070.2464   -1067.6392 
-    4550        0.455  0.076457413     2868.381    80.936403    -3.086593     2.605001   -1070.2442   -1067.6392 
-    4600         0.46  0.076457454    2716.5128    81.904984   -3.1192161    2.6361755   -1070.2754   -1067.6392 
-    4650        0.465  0.076457402     2628.691    83.537981   -3.1529675    2.6887347    -1070.328   -1067.6392 
-    4700         0.47  0.076457327    2609.7253    85.196185   -3.1819342    2.7421053   -1070.3813   -1067.6392 
-    4750        0.475  0.076457328    2604.4797    86.479192   -3.2088497    2.7833999   -1070.4226   -1067.6392 
-    4800         0.48  0.076457385    2610.7583    87.294321    -3.242028    2.8096355   -1070.4489   -1067.6392 
-    4850        0.485  0.076457398    2649.7853    87.477655   -3.2810534    2.8155362   -1070.4548   -1067.6392 
-    4900         0.49  0.076457371    2678.8351    86.820207   -3.3154833    2.7943757   -1070.4336   -1067.6392 
-    4950        0.495  0.076457344    2687.9239    85.543066   -3.3381845      2.75327   -1070.3925   -1067.6392 
-    5000          0.5  0.076457351    2720.6587    84.363474   -3.3508261    2.7153039   -1070.3545   -1067.6392 
-    5050        0.505  0.076457408    2755.8291    84.030245   -3.3582878    2.7045787   -1070.3438   -1067.6392 
-    5100         0.51  0.076457454    2753.2313    84.932962   -3.3648805    2.7336333   -1070.3729   -1067.6392 
-    5150        0.515  0.076457453    2706.7195    86.928397   -3.3711152    2.7978579   -1070.4371   -1067.6392 
-    5200         0.52  0.076457474    2678.1769    89.583728   -3.3768576    2.8833218   -1070.5226   -1067.6392 
-    5250        0.525  0.076457519    2699.6153     92.51484   -3.3860255    2.9776619   -1070.6169   -1067.6392 
-    5300         0.53  0.076457531    2703.4089    95.385751   -3.4040809    3.0700644   -1070.7093   -1067.6392 
-    5350        0.535  0.076457501    2642.6927    97.779641   -3.4335521    3.1471136   -1070.7863   -1067.6392 
-    5400         0.54  0.076457502    2536.3506    99.093181   -3.4686217    3.1893909   -1070.8286   -1067.6392 
-    5450        0.545  0.076457526     2496.939    98.768918   -3.4975315    3.1789543   -1070.8182   -1067.6392 
-    5500         0.55   0.07645752    2590.2958    96.816602   -3.5146308    3.1161175   -1070.7554   -1067.6392 
-    5550        0.555   0.07645751    2736.4682    93.934193   -3.5252273    3.0233449   -1070.6626   -1067.6392 
-    5600         0.56  0.076457511    2852.5255    91.119522   -3.5395987    2.9327525    -1070.572   -1067.6392 
-    5650        0.565   0.07645752    2911.6957    89.034641   -3.5601373     2.865649   -1070.5049   -1067.6392 
-    5700         0.57  0.076457504    2872.1072    87.822315    -3.578603    2.8266294   -1070.4659   -1067.6392 
-    5750        0.575  0.076457514    2742.4368    87.594069   -3.5903293    2.8192831   -1070.4585   -1067.6392 
-    5800         0.58  0.076457541    2620.8057     88.56771   -3.5997032    2.8506205   -1070.4899   -1067.6392 
-    5850        0.585  0.076457558    2577.6654    90.685493   -3.6121768     2.918783    -1070.558   -1067.6392 
-    5900         0.59  0.076457556    2603.2357    93.377822   -3.6265072    3.0054377   -1070.6447   -1067.6392 
-    5950        0.595  0.076457545    2622.1452    95.785548   -3.6355062    3.0829322   -1070.7222   -1067.6392 
-    6000          0.6  0.076457592    2584.5081    97.370124   -3.6379266     3.133933   -1070.7732   -1067.6392 
-    6050        0.605  0.076457628    2511.2974    98.197855   -3.6436111    3.1605742   -1070.7998   -1067.6392 
-    6100         0.61  0.076457605    2460.1929    98.607339   -3.6641341    3.1737537    -1070.813   -1067.6392 
-    6150        0.615  0.076457552    2425.1563     98.77721   -3.7023511    3.1792212   -1070.8185   -1067.6392 
-    6200         0.62  0.076457529    2378.8547    98.671042   -3.7529171    3.1758041    -1070.815   -1067.6392 
-    6250        0.625  0.076457536    2373.6127    98.176109   -3.8075656    3.1598743   -1070.7991   -1067.6392 
-    6300         0.63  0.076457584    2457.9835    97.287991   -3.8600042    3.1312895   -1070.7705   -1067.6392 
-    6350        0.635  0.076457603    2571.5799    96.270875   -3.9092353    3.0985528   -1070.7378   -1067.6392 
-    6400         0.64  0.076457558    2610.0081    95.435983   -3.9541076    3.0716812   -1070.7109   -1067.6392 
-    6450        0.645  0.076457543    2587.7565    94.898723   -3.9898259     3.054389   -1070.6936   -1067.6392 
-    6500         0.65  0.076457571    2592.6987     94.73176   -4.0156724    3.0490152   -1070.6882   -1067.6392 
-    6550        0.655  0.076457601    2601.6462    95.026393   -4.0381259    3.0584982   -1070.6977   -1067.6392 
-    6600         0.66  0.076457634    2566.7039    95.637128   -4.0616088    3.0781552   -1070.7174   -1067.6392 
-    6650        0.665  0.076457648    2514.9262    96.272229   -4.0866885    3.0985964   -1070.7378   -1067.6392 
-    6700         0.67  0.076457667    2469.8505    96.811573   -4.1148394    3.1159556   -1070.7552   -1067.6392 
-    6750        0.675  0.076457679    2455.7259    97.232643   -4.1435989    3.1295081   -1070.7687   -1067.6392 
-    6800         0.68  0.076457673    2468.7089    97.598131   -4.1658056    3.1412716   -1070.7805   -1067.6392 
-    6850        0.685  0.076457641    2449.9304    98.364281   -4.1815157    3.1659307   -1070.8052   -1067.6392 
-    6900         0.69  0.076457591    2353.8798    100.13599   -4.1974942    3.2229545   -1070.8622   -1067.6392 
-    6950        0.695  0.076457574    2209.8271    103.01376   -4.2144962    3.3155778   -1070.9548   -1067.6392 
-    7000          0.7   0.07645757    2076.4986    106.68059   -4.2313568    3.4335975   -1071.0728   -1067.6392 
-    7050        0.705  0.076457532    2018.5403    110.71749   -4.2520079    3.5635282   -1071.2028   -1067.6392 
-    7100         0.71  0.076457492    2065.9887    114.55487    -4.281219    3.6870374   -1071.3263   -1067.6392 
-    7150        0.715   0.07645748    2155.5459     117.3116   -4.3158586    3.7757647    -1071.415   -1067.6392 
-    7200         0.72  0.076457494    2209.3453    118.11442   -4.3476298    3.8016043   -1071.4408   -1067.6392 
-    7250        0.725  0.076457549    2217.3813    116.73458   -4.3751538     3.757193   -1071.3964   -1067.6392 
-    7300         0.73  0.076457599    2194.6993    113.55369   -4.4007611    3.6548138    -1071.294   -1067.6392 
-    7350        0.735   0.07645757    2162.8509    109.25439   -4.4239789    3.5164373   -1071.1557   -1067.6392 
-    7400         0.74  0.076457504    2179.0418     104.7754   -4.4453985    3.3722777   -1071.0115   -1067.6392 
-    7450        0.745  0.076457518    2259.2856    101.07787   -4.4663409    3.2532696   -1070.8925   -1067.6392 
-    7500         0.75  0.076457572    2343.5535    98.882501   -4.4873841    3.1826101   -1070.8218   -1067.6392 
-    7550        0.755  0.076457589    2398.2908     98.45877   -4.5060042    3.1689719   -1070.8082   -1067.6392 
-    7600         0.76  0.076457555    2420.4319    99.704417   -4.5200225     3.209064   -1070.8483   -1067.6392 
-    7650        0.765  0.076457552    2411.7072    102.42806   -4.5350873    3.2967265    -1070.936   -1067.6392 
-    7700         0.77  0.076457571    2387.7867    106.24775   -4.5597359    3.4196662   -1071.0589   -1067.6392 
-    7750        0.775  0.076457574     2378.614    110.33425   -4.5954327    3.5511934   -1071.1904   -1067.6392 
-    7800         0.78  0.076457546     2386.339    113.47426   -4.6333762    3.6522573   -1071.2915   -1067.6392 
-    7850        0.785  0.076457584    2373.6185    114.65304   -4.6634531    3.6901971   -1071.3294   -1067.6392 
-    7900         0.79  0.076457607    2346.7767    113.53184   -4.6813286    3.6541104   -1071.2933   -1067.6392 
-    7950        0.795  0.076457576    2325.1204    110.53074   -4.6884073    3.5575175   -1071.1968   -1067.6392 
-    8000          0.8  0.076457577    2299.9447    106.81524   -4.6940716    3.4379313   -1071.0772   -1067.6392 
-    8050        0.805  0.076457592    2281.6434    103.78514   -4.7080773    3.3404052   -1070.9796   -1067.6392 
-    8100         0.81  0.076457595    2279.2037    102.50084   -4.7334489    3.2990691   -1070.9383   -1067.6392 
-    8150        0.815  0.076457635    2249.7793    103.47522   -4.7690042    3.3304303   -1070.9697   -1067.6392 
-    8200         0.82  0.076457642    2189.9745    106.45522   -4.8073957     3.426344   -1071.0656   -1067.6392 
-    8250        0.825  0.076457606    2149.0282     110.6545   -4.8397042    3.5615011   -1071.2007   -1067.6392 
-    8300         0.83  0.076457542    2135.0181    115.25463   -4.8644908    3.7095598   -1071.3488   -1067.6392 
-    8350        0.835  0.076457496    2133.8536    119.41482   -4.8843171    3.8434585   -1071.4827   -1067.6392 
-    8400         0.84  0.076457518    2133.1467    122.18695   -4.8996144     3.932682   -1071.5719   -1067.6392 
-    8450        0.845  0.076457578    2134.2861    123.01595   -4.9155444    3.9593637   -1071.5986   -1067.6392 
-    8500         0.85  0.076457574     2141.613     121.9466   -4.9391276    3.9249459   -1071.5642   -1067.6392 
-    8550        0.855  0.076457587    2138.9082    119.39807   -4.9693983    3.8429195   -1071.4822   -1067.6392 
-    8600         0.86  0.076457616    2068.0673    116.09276    -5.000552    3.7365357   -1071.3758   -1067.6392 
-    8650        0.865  0.076457587    1952.0961    112.98671   -5.0303107    3.6365649   -1071.2758   -1067.6392 
-    8700         0.87  0.076457563    1866.7421    110.99219   -5.0605853    3.5723697   -1071.2116   -1067.6392 
-    8750        0.875   0.07645759    1830.3031    110.63824   -5.0918767    3.5609778   -1071.2002   -1067.6392 
-    8800         0.88  0.076457593    1839.3749    111.91657   -5.1197801    3.6021218   -1071.2414   -1067.6392 
-    8850        0.885   0.07645757      1836.93    114.56856   -5.1423719     3.687478   -1071.3267   -1067.6392 
-    8900         0.89  0.076457579    1795.2859    118.25516   -5.1643112    3.8061342   -1071.4454   -1067.6392 
-    8950        0.895  0.076457614    1766.8498    122.31379   -5.1895303    3.9367641    -1071.576   -1067.6392 
-    9000          0.9  0.076457668    1777.4862    125.80875   -5.2189311    4.0492522   -1071.6885   -1067.6392 
-    9050        0.905  0.076457701    1778.9988    127.84202    -5.250791    4.1146947   -1071.7539   -1067.6392 
-    9100         0.91  0.076457703    1756.3985    127.83199   -5.2809641    4.1143719   -1071.7536   -1067.6392 
-    9150        0.915  0.076457636    1750.7698    125.64781   -5.3037451    4.0440723   -1071.6833   -1067.6392 
-    9200         0.92  0.076457553    1795.5785    121.64446   -5.3145968    3.9152214   -1071.5545   -1067.6392 
-    9250        0.925  0.076457546    1884.6389    116.77819    -5.317446    3.7585968   -1071.3978   -1067.6392 
-    9300         0.93  0.076457575    1961.0059    112.44866   -5.3248028    3.6192473   -1071.2585   -1067.6392 
-    9350        0.935  0.076457586    1988.8357    109.85485   -5.3452949    3.5357635    -1071.175   -1067.6392 
-    9400         0.94  0.076457583    1972.3793    109.57616   -5.3783713    3.5267939    -1071.166   -1067.6392 
-    9450        0.945  0.076457572    1948.7911    111.48324   -5.4161951    3.5881745   -1071.2274   -1067.6392 
-    9500         0.95  0.076457563    1922.5709     114.9318   -5.4492314    3.6991693   -1071.3384   -1067.6392 
-    9550        0.955  0.076457545    1887.2071    119.14996    -5.473804    3.8349339   -1071.4742   -1067.6392 
-    9600         0.96  0.076457569    1854.7259    123.36854   -5.4904613    3.9707121   -1071.6099   -1067.6392 
-    9650        0.965  0.076457622    1827.4781     126.8424   -5.4992845    4.0825212   -1071.7218   -1067.6392 
-    9700         0.97  0.076457643    1811.2431    129.09763    -5.503264    4.1551074   -1071.7943   -1067.6392 
-    9750        0.975  0.076457625    1802.4995    130.06103   -5.5091498    4.1861153   -1071.8253   -1067.6392 
-    9800         0.98  0.076457569     1802.206    129.93881   -5.5226464    4.1821816   -1071.8214   -1067.6392 
-    9850        0.985  0.076457512    1815.5438    128.98667    -5.542848    4.1515359   -1071.7908   -1067.6392 
-    9900         0.99  0.076457501    1820.5473    127.45475   -5.5621249    4.1022301   -1071.7415   -1067.6392 
-    9950        0.995  0.076457538    1816.8204    125.90549   -5.5773991    4.0523658   -1071.6916   -1067.6392 
-   10000            1  0.076457537    1784.5276    125.28779   -5.5974427    4.0324847   -1071.6717   -1067.6392 
-   10050        1.005  0.076457529     1720.376    126.28509   -5.6322599    4.0645836   -1071.7038   -1067.6392 
-   10100         1.01  0.076457551    1689.9106    128.66253   -5.6814138    4.1411033   -1071.7803   -1067.6392 
-   10150        1.015  0.076457539    1713.0249    131.40846   -5.7369528    4.2294833   -1071.8687   -1067.6392 
-   10200         1.02  0.076457489    1743.8221     133.3229    -5.789472    4.2911009   -1071.9303   -1067.6392 
-   10250        1.025  0.076457427    1770.5405    133.47365   -5.8284105    4.2959531   -1071.9352   -1067.6392 
-   10300         1.03  0.076457402    1784.3689    131.77123    -5.852419    4.2411593   -1071.8804   -1067.6392 
-   10350        1.035  0.076457432    1759.9766    128.82223   -5.8669372    4.1462436   -1071.7855   -1067.6392 
-   10400         1.04  0.076457457    1756.0701     125.3228   -5.8723914    4.0336114   -1071.6728   -1067.6392 
-   10450        1.045  0.076457431    1796.2676    122.12283   -5.8711897     3.930618   -1071.5698   -1067.6392 
-   10500         1.05  0.076457363    1832.5849    120.24945   -5.8728862     3.870322   -1071.5096   -1067.6392 
-   10550        1.055  0.076457315    1825.9591    120.26647   -5.8808515    3.8708698   -1071.5101   -1067.6392 
-   10600         1.06  0.076457322    1783.5912    121.98369   -5.8879416    3.9261399   -1071.5654   -1067.6392 
-   10650        1.065   0.07645737    1765.4445    124.88567   -5.8906657    4.0195423   -1071.6588   -1067.6392 
-   10700         1.07  0.076457449    1789.2376    128.29349   -5.8943984    4.1292256   -1071.7685   -1067.6392 
-   10750        1.075  0.076457481    1818.6141    131.12076   -5.9023895    4.2202233   -1071.8595   -1067.6392 
-   10800         1.08  0.076457417    1821.6989    132.13157   -5.9106221    4.2527572    -1071.892   -1067.6392 
-   10850        1.085  0.076457331    1835.7675    130.83646   -5.9174483    4.2110729   -1071.8503   -1067.6392 
-   10900         1.09  0.076457313    1863.9325    127.86582   -5.9253528    4.1154608   -1071.7547   -1067.6392 
-   10950        1.095  0.076457328    1879.7524    124.69175   -5.9376375    4.0133007   -1071.6525   -1067.6392 
-   11000          1.1   0.07645735    1877.2445    122.96147   -5.9563654    3.9576103   -1071.5968   -1067.6392 
-   11050        1.105  0.076457334     1853.502    123.73028   -5.9816201    3.9823552   -1071.6216   -1067.6392 
-   11100         1.11  0.076457299       1840.4    127.02072   -6.0118687    4.0882605   -1071.7275   -1067.6392 
-   11150        1.115  0.076457349    1868.0417    131.88474   -6.0432323    4.2448126    -1071.884   -1067.6392 
-   11200         1.12  0.076457425    1906.0826    137.04774   -6.0742843    4.4109879   -1072.0502   -1067.6392 
-   11250        1.125  0.076457409    1916.8851    141.44887   -6.1055084    4.5526417   -1072.1919   -1067.6392 
-   11300         1.13  0.076457315     1929.063    144.55599   -6.1379843    4.6526467   -1072.2919   -1067.6392 
-   11350        1.135   0.07645728    1963.9888    146.27645   -6.1715945    4.7080209   -1072.3473   -1067.6392 
-   11400         1.14  0.076457317    2003.9719    146.52242    -6.201081    4.7159377   -1072.3552   -1067.6392 
-   11450        1.145  0.076457337    2032.7751    145.14866   -6.2190123    4.6717222    -1072.311   -1067.6392 
-   11500         1.15  0.076457346    2007.3165    142.48643    -6.228223    4.5860364   -1072.2253   -1067.6392 
-   11550        1.155  0.076457364     1930.307    139.42166   -6.2424032    4.4873945   -1072.1266   -1067.6392 
-   11600         1.16  0.076457384    1815.1751    136.55133   -6.2668555    4.3950107   -1072.0342   -1067.6392 
-   11650        1.165  0.076457374    1692.3408    134.02582   -6.2982889    4.3137251    -1071.953   -1067.6392 
-   11700         1.17  0.076457362    1632.1328    131.95661    -6.333283    4.2471259   -1071.8864   -1067.6392 
-   11750        1.175   0.07645735    1668.5268    130.40398   -6.3655085    4.1971534   -1071.8364   -1067.6392 
-   11800         1.18  0.076457303    1739.9788    129.31098   -6.3892439    4.1619742   -1071.8012   -1067.6392 
-   11850        1.185  0.076457253    1807.7337    128.65584   -6.4083517    4.1408881   -1071.7801   -1067.6392 
-   11900         1.19    0.0764573     1826.428    128.39557   -6.4305339    4.1325111   -1071.7717   -1067.6392 
-   11950        1.195  0.076457354     1740.376    128.35778    -6.456201    4.1312949   -1071.7705   -1067.6392 
-   12000          1.2  0.076457321    1628.3377    128.64127   -6.4864265    4.1404191   -1071.7797   -1067.6392 
-   12050        1.205  0.076457228    1610.9113    129.62765   -6.5236327    4.1721667   -1071.8114   -1067.6392 
-   12100         1.21   0.07645719    1647.6711    131.56179   -6.5624185    4.2344183   -1071.8736   -1067.6392 
-   12150        1.215  0.076457244    1667.2405    134.45387    -6.593096     4.327502   -1071.9667   -1067.6392 
-   12200         1.22  0.076457281    1650.0369    138.29884   -6.6148053    4.4512554   -1072.0905   -1067.6392 
-   12250        1.225  0.076457269    1610.0214    142.96914   -6.6359085    4.6015728   -1072.2408   -1067.6392 
-   12300         1.23  0.076457261    1594.6496    147.74828   -6.6580315     4.755393   -1072.3946   -1067.6392 
-   12350        1.235  0.076457238    1609.8485    151.54432   -6.6730075    4.8775714   -1072.5168   -1067.6392 
-   12400         1.24  0.076457201    1649.4384    153.78009   -6.6795567    4.9495317   -1072.5888   -1067.6392 
-   12450        1.245  0.076457189    1676.2248     154.4468   -6.6837801    4.9709901   -1072.6102   -1067.6392 
-   12500         1.25  0.076457239     1670.814    153.58107   -6.6881901    4.9431258   -1072.5824   -1067.6392 
-   12550        1.255  0.076457285    1649.8854     151.2045   -6.6908201    4.8666342   -1072.5059   -1067.6392 
-   12600         1.26  0.076457284    1650.7306    147.66332   -6.6919133    4.7526585   -1072.3919   -1067.6392 
-   12650        1.265  0.076457189    1716.8308    143.58784   -6.6915867    4.6214861   -1072.2607   -1067.6392 
-   12700         1.27  0.076457085    1831.8331    139.80608   -6.6912135    4.4997672    -1072.139   -1067.6392 
-   12750        1.275  0.076457143    1914.1068    137.09279   -6.6943577    4.4124378   -1072.0517   -1067.6392 
-   12800         1.28  0.076457209    1952.4216    135.78967   -6.7027456     4.370496   -1072.0097   -1067.6392 
-   12850        1.285  0.076457218    1975.0105     135.8441     -6.71489    4.3722479   -1072.0115   -1067.6392 
-   12900         1.29  0.076457295    1973.6709    137.16928   -6.7284709    4.4148997   -1072.0541   -1067.6392 
-   12950        1.295  0.076457414    1949.6975    139.70897   -6.7419581    4.4966417   -1072.1359   -1067.6392 
-   13000          1.3  0.076457467    1910.5263     143.0515   -6.7515077    4.6042234   -1072.2435   -1067.6392 
-   13050        1.305  0.076457461    1863.8288    146.61488   -6.7594325    4.7189138   -1072.3581   -1067.6392 
-   13100         1.31   0.07645739    1808.6316    149.91966   -6.7746805    4.8252807   -1072.4645   -1067.6392 
-   13150        1.315   0.07645729    1782.3809    152.39881   -6.7984035    4.9050739   -1072.5443   -1067.6392 
-   13200         1.32  0.076457252    1781.5232    153.48161   -6.8240019    4.9399248   -1072.5792   -1067.6392 
-   13250        1.325   0.07645725    1763.5272    152.93985   -6.8501794    4.9224879   -1072.5617   -1067.6392 
-   13300         1.33  0.076457252    1710.4946    150.83438   -6.8814293    4.8547215    -1072.494   -1067.6392 
-   13350        1.335  0.076457258    1644.7486    147.30722   -6.9178941    4.7411971   -1072.3804   -1067.6392 
-   13400         1.34  0.076457331    1605.6165    142.74866   -6.9539225    4.5944763   -1072.2337   -1067.6392 
-   13450        1.345  0.076457403    1581.6983    137.98535   -6.9831256    4.4411657   -1072.0804   -1067.6392 
-   13500         1.35  0.076457367    1564.3505    134.11939   -7.0019808    4.3167366    -1071.956   -1067.6392 
-   13550        1.355  0.076457301    1574.5107    132.21611   -7.0146772    4.2554781   -1071.8947   -1067.6392 
-   13600         1.36  0.076457257    1611.9755    132.80504   -7.0296151    4.2744333   -1071.9137   -1067.6392 
-   13650        1.365  0.076457201    1640.7113    135.56674   -7.0513962    4.3633208   -1072.0026   -1067.6392 
-   13700         1.37  0.076457189    1654.0361     139.6012   -7.0805562    4.4931729   -1072.1324   -1067.6392 
-   13750        1.375  0.076457229     1678.441    143.86647   -7.1124767    4.6304539   -1072.2697   -1067.6392 
-   13800         1.38  0.076457284    1686.1364    147.62332   -7.1379787    4.7513712   -1072.3906   -1067.6392 
-   13850        1.385  0.076457274    1656.3348    150.77783   -7.1529695    4.8529016   -1072.4921   -1067.6392 
-   13900         1.39  0.076457235    1597.0959    153.61417   -7.1618005    4.9441914   -1072.5834   -1067.6392 
-   13950        1.395  0.076457252    1565.4065    156.26062    -7.170134    5.0293694   -1072.6686   -1067.6392 
-   14000          1.4  0.076457261    1576.0797    158.74996   -7.1843908    5.1094907   -1072.7487   -1067.6392 
-   14050        1.405  0.076457231    1597.0006    160.90398   -7.2025683    5.1788195   -1072.8181   -1067.6392 
-   14100         1.41  0.076457223    1613.5592    162.39878   -7.2156174    5.2269309   -1072.8662   -1067.6392 
-   14150        1.415  0.076457286    1629.6758    163.17046   -7.2245128     5.251768    -1072.891   -1067.6392 
-   14200         1.42  0.076457403    1653.3044    163.16418   -7.2361077    5.2515657   -1072.8908   -1067.6392 
-   14250        1.425  0.076457462    1662.8527    162.13868   -7.2521095    5.2185594   -1072.8578   -1067.6392 
-   14300         1.43  0.076457412    1630.9111     160.1566   -7.2734168    5.1547645    -1072.794   -1067.6392 
-   14350        1.435  0.076457382    1580.8899    157.80029   -7.3028008    5.0789247   -1072.7182   -1067.6392 
-   14400         1.44  0.076457398    1564.0104     155.5646    -7.336948    5.0069673   -1072.6462   -1067.6392 
-   14450        1.445  0.076457402    1558.3075    153.27872   -7.3628999    4.9333947   -1072.5726   -1067.6392 
-   14500         1.45  0.076457377    1530.3969    150.48123   -7.3702551    4.8433552   -1072.4826   -1067.6392 
-   14550        1.455  0.076457353    1511.7287    147.14899    -7.362315    4.7361044   -1072.3753   -1067.6392 
-   14600         1.46  0.076457341    1535.6604    143.91325   -7.3525622    4.6319595   -1072.2712   -1067.6392 
-   14650        1.465  0.076457346    1579.1663    141.56448   -7.3510104    4.5563627   -1072.1956   -1067.6392 
-   14700         1.47  0.076457397    1612.3535    140.59549    -7.360296    4.5251749   -1072.1644   -1067.6392 
-   14750        1.475  0.076457471    1642.2272    141.10169   -7.3761707    4.5414673   -1072.1807   -1067.6392 
-   14800         1.48  0.076457425    1655.8317    143.06873   -7.3922813     4.604778    -1072.244   -1067.6392 
-   14850        1.485  0.076457358    1635.8169    146.57617   -7.4084124    4.7176678   -1072.3569   -1067.6392 
-   14900         1.49   0.07645736    1620.3521    151.43759   -7.4283243    4.8741364   -1072.5134   -1067.6392 
-   14950        1.495  0.076457392    1613.6163    156.81465    -7.451549    5.0472011   -1072.6864   -1067.6392 
-   15000          1.5  0.076457432    1641.9185    161.49441   -7.4752177    5.1978229   -1072.8371   -1067.6392 
-   15050        1.505  0.076457454     1694.671    164.44492   -7.4987743    5.2927872    -1072.932   -1067.6392 
-   15100         1.51  0.076457415    1736.9184     165.1692   -7.5221765    5.3160988   -1072.9553   -1067.6392 
-   15150        1.515  0.076457338     1752.072    163.78444   -7.5411028    5.2715294   -1072.9108   -1067.6392 
-   15200         1.52  0.076457306    1752.6181    161.09848    -7.553989    5.1850797   -1072.8243   -1067.6392 
-   15250        1.525  0.076457359    1736.1908    158.22125   -7.5667375    5.0924736   -1072.7317   -1067.6392 
-   15300         1.53  0.076457401    1730.7557     155.8948   -7.5868022    5.0175953   -1072.6568   -1067.6392 
-   15350        1.535  0.076457406    1749.4877    154.29785   -7.6163309    4.9661959   -1072.6054   -1067.6392 
-   15400         1.54  0.076457413    1767.8554      153.256    -7.646484    4.9326634   -1072.5719   -1067.6392 
-   15450        1.545  0.076457408    1774.3702    152.86159   -7.6690389    4.9199689   -1072.5592   -1067.6392 
-   15500         1.55  0.076457491    1770.2174    153.59646   -7.6870142    4.9436212   -1072.5829   -1067.6392 
-   15550        1.555  0.076457608    1767.1771    155.78946   -7.7079221    5.0142046   -1072.6534   -1067.6392 
-   15600         1.56  0.076457561    1738.6373    159.28425   -7.7334961    5.1266873   -1072.7659   -1067.6392 
-   15650        1.565  0.076457428    1700.8184    163.47112   -7.7586601    5.2614448   -1072.9007   -1067.6392 
-   15700         1.57  0.076457375    1688.1496    167.31488   -7.7745852    5.3851594   -1073.0244   -1067.6392 
-   15750        1.575  0.076457393    1700.6524    169.85179   -7.7793279    5.4668117    -1073.106   -1067.6392 
-   15800         1.58  0.076457312    1732.7457    170.75736   -7.7843367    5.4959582   -1073.1352   -1067.6392 
-   15850        1.585  0.076457273    1770.0139    169.97991   -7.7986828    5.4709353   -1073.1102   -1067.6392 
-   15900         1.59  0.076457392    1786.2936    167.32785   -7.8165236    5.3855768   -1073.0248   -1067.6392 
-   15950        1.595  0.076457536    1758.2055    162.95664   -7.8294313     5.244886   -1072.8841   -1067.6392 
-   16000          1.6  0.076457587    1701.2308    157.82826   -7.8390235     5.079825   -1072.7191   -1067.6392 
-   16050        1.605  0.076457541    1658.3347    153.26331   -7.8499456    4.9328986   -1072.5721   -1067.6392 
-   16100         1.61  0.076457398    1664.9861    150.22106   -7.8641896    4.8349815   -1072.4742   -1067.6392 
-   16150        1.615  0.076457358    1704.9163    148.78635   -7.8778806    4.7888042    -1072.428   -1067.6392 
-   16200         1.62  0.076457411     1717.877    148.52697   -7.8854701    4.7804557   -1072.4197   -1067.6392 
-   16250        1.625  0.076457389    1676.6721    149.39648   -7.8911926    4.8084417   -1072.4477   -1067.6392 
-   16300         1.63  0.076457343    1606.1432    151.67229   -7.9043128    4.8816903   -1072.5209   -1067.6392 
-   16350        1.635  0.076457336    1579.1024    155.15678   -7.9251862    4.9938414   -1072.6331   -1067.6392 
-   16400         1.64  0.076457384    1586.2825    159.18596    -7.949204    5.1235238   -1072.7628   -1067.6392 
-   16450        1.645  0.076457396    1574.4855    163.18237    -7.976768    5.2521512   -1072.8914   -1067.6392 
-   16500         1.65   0.07645733    1576.1962    166.71848   -8.0077333    5.3659636   -1073.0052   -1067.6392 
-   16550        1.655   0.07645727    1597.1073    169.59771    -8.038467    5.4586339   -1073.0979   -1067.6392 
-   16600         1.66  0.076457285     1599.917    171.99866     -8.06723    5.5359104   -1073.1751   -1067.6392 
-   16650        1.665  0.076457312    1567.2444    174.07518   -8.0934269    5.6027449    -1073.242   -1067.6392 
-   16700         1.67  0.076457288    1538.1861    175.68138   -8.1188007    5.6544416   -1073.2937   -1067.6392 
-   16750        1.675   0.07645721    1511.9049    176.53933    -8.146985    5.6820555   -1073.3213   -1067.6392 
-   16800         1.68  0.076457228     1468.497    176.55444   -8.1808459    5.6825417   -1073.3218   -1067.6392 
-   16850        1.685  0.076457264     1431.494     175.8924   -8.2214633    5.6612334   -1073.3005   -1067.6392 
-   16900         1.69  0.076457269    1415.3928    174.78298    -8.266249    5.6255257   -1073.2648   -1067.6392 
-   16950        1.695  0.076457225    1452.9617    173.33174   -8.3082586    5.5788167    -1073.218   -1067.6392 
-   17000          1.7  0.076457179    1470.3678    171.67883   -8.3449394    5.5256165   -1073.1648   -1067.6392 
-   17050        1.705  0.076457163    1443.7364    169.99399   -8.3798127    5.4713883   -1073.1106   -1067.6392 
-   17100         1.71   0.07645721    1420.9961    168.25292   -8.4131544    5.4153509   -1073.0546   -1067.6392 
-   17150        1.715  0.076457295    1438.9266    166.52365   -8.4428287    5.3596929   -1072.9989   -1067.6392 
-   17200         1.72  0.076457288    1491.1593    165.33242   -8.4714901    5.3213522   -1072.9606   -1067.6392 
-   17250        1.725  0.076457246    1522.9686    165.31615   -8.5004148    5.3208287   -1072.9601   -1067.6392 
-   17300         1.73  0.076457324    1507.7851    166.83662   -8.5254522     5.369766    -1073.009   -1067.6392 
-   17350        1.735  0.076457348    1472.7382    169.83517   -8.5448034    5.4662768   -1073.1055   -1067.6392 
-   17400         1.74  0.076457306    1446.0079      173.344   -8.5542116    5.5792111   -1073.2184   -1067.6392 
-   17450        1.745   0.07645735      1428.36    175.90072   -8.5502511     5.661501   -1073.3007   -1067.6392 
-   17500         1.75  0.076457419     1424.108    176.56743   -8.5390662    5.6829599   -1073.3222   -1067.6392 
-   17550        1.755  0.076457329    1441.9785    175.33547   -8.5352293    5.6433082   -1073.2825   -1067.6392 
-   17600         1.76  0.076457184     1458.608    172.71768   -8.5475316    5.5590527   -1073.1983   -1067.6392 
-   17650        1.765  0.076457192    1468.4405    169.36794   -8.5725313    5.4512387   -1073.0905   -1067.6392 
-   17700         1.77  0.076457276    1483.3347    165.84641   -8.6000497    5.3378954   -1072.9771   -1067.6392 
-   17750        1.775  0.076457328    1488.5201     162.8195   -8.6287352    5.2404721   -1072.8797   -1067.6392 
-   17800         1.78   0.07645732    1470.5993    161.04107   -8.6640671    5.1832319   -1072.8225   -1067.6392 
-   17850        1.785  0.076457278    1462.6343    161.04849   -8.7048157    5.1834707   -1072.8227   -1067.6392 
-   17900         1.79  0.076457233    1453.3573    163.16996   -8.7450188    5.2517519    -1072.891   -1067.6392 
-   17950        1.795  0.076457161    1447.1007    167.58872   -8.7859818    5.3939729   -1073.0332   -1067.6392 
-   18000          1.8  0.076457139    1440.0053    173.87077    -8.833056    5.5961657   -1073.2354   -1067.6392 
-   18050        1.805  0.076457185    1418.2881    180.47756   -8.8792523    5.8088102    -1073.448   -1067.6392 
-   18100         1.81  0.076457223    1401.1744    185.61692   -8.9125448    5.9742247   -1073.6135   -1067.6392 
-   18150        1.815   0.07645727    1389.0345    188.42536   -8.9312647    6.0646165   -1073.7039   -1067.6392 
-   18200         1.82  0.076457264    1387.7229    189.24556   -8.9469259    6.0910152   -1073.7302   -1067.6392 
-   18250        1.825  0.076457202    1402.1898    188.92804   -8.9718195    6.0807957     -1073.72   -1067.6392 
-   18300         1.83  0.076457177     1390.586    188.00713   -9.0028575    6.0511554   -1073.6904   -1067.6392 
-   18350        1.835  0.076457182    1352.2199    186.92382   -9.0291119    6.0162881   -1073.6555   -1067.6392 
-   18400         1.84  0.076457214     1348.252    186.22966   -9.0428346    5.9939461   -1073.6332   -1067.6392 
-   18450        1.845  0.076457257    1391.9407     186.3174   -9.0469158    5.9967701    -1073.636   -1067.6392 
-   18500         1.85   0.07645722    1426.8552    186.92904   -9.0496753    6.0164563   -1073.6557   -1067.6392 
-   18550        1.855  0.076457185    1446.4566    187.30921   -9.0572556    6.0286923   -1073.6679   -1067.6392 
-   18600         1.86  0.076457223    1464.9221    186.80304   -9.0713411    6.0124008   -1073.6516   -1067.6392 
-   18650        1.865  0.076457199    1471.3202    185.06559   -9.0868448    5.9564798   -1073.5957   -1067.6392 
-   18700         1.87   0.07645725    1461.0629    182.41219   -9.1051202     5.871078   -1073.5103   -1067.6392 
-   18750        1.875  0.076457345    1431.7789    179.46716   -9.1294581    5.7762898   -1073.4155   -1067.6392 
-   18800         1.88  0.076457274    1409.3438    176.48484   -9.1499481    5.6803016   -1073.3195   -1067.6392 
-   18850        1.885  0.076457201    1370.4168    173.84236   -9.1643576    5.5952513   -1073.2345   -1067.6392 
-   18900         1.89  0.076457245    1307.0644    172.24292   -9.1908564     5.543772    -1073.183   -1067.6392 
-   18950        1.895  0.076457257    1298.5302    171.72024   -9.2357227    5.5269491   -1073.1662   -1067.6392 
-   19000          1.9  0.076457286    1335.2088    171.37187   -9.2735952    5.5157366    -1073.155   -1067.6392 
-   19050        1.905  0.076457382    1347.2532    170.91617   -9.2850717    5.5010696   -1073.1403   -1067.6392 
-   19100         1.91  0.076457395    1332.8305    171.59912   -9.2864975    5.5230508   -1073.1623   -1067.6392 
-   19150        1.915  0.076457344    1304.8597    174.54105   -9.2959387    5.6177392    -1073.257   -1067.6392 
-   19200         1.92  0.076457301    1276.1592    179.42057    -9.309653    5.7747904    -1073.414   -1067.6392 
-   19250        1.925  0.076457274    1260.6559    185.20252    -9.325615    5.9608868   -1073.6001   -1067.6392 
-   19300         1.93  0.076457271     1265.939    190.71739   -9.3483129    6.1383871   -1073.7776   -1067.6392 
-   19350        1.935  0.076457278     1304.535    194.87898   -9.3783203    6.2723313   -1073.9116   -1067.6392 
-   19400         1.94   0.07645731    1362.5576    197.21347   -9.4193269    6.3474686   -1073.9867   -1067.6392 
-   19450        1.945  0.076457423    1382.7886    197.45962   -9.4694007     6.355391   -1073.9946   -1067.6392 
-   19500         1.95  0.076457472     1352.303    195.21464   -9.5133315    6.2831347   -1073.9224   -1067.6392 
-   19550        1.955  0.076457413    1318.6835    190.89792   -9.5445597    6.1441978   -1073.7834   -1067.6392 
-   19600         1.96  0.076457386    1300.0189    186.19759   -9.5724767    5.9929138   -1073.6321   -1067.6392 
-   19650        1.965  0.076457417    1281.4514    182.93348   -9.6006152    5.8878559   -1073.5271   -1067.6392 
-   19700         1.97   0.07645744    1265.2354    182.28868    -9.628322    5.8671025   -1073.5063   -1067.6392 
-   19750        1.975  0.076457421    1267.1291    184.68067   -9.6640365    5.9440908   -1073.5833   -1067.6392 
-   19800         1.98  0.076457374    1293.1065     189.3714   -9.7123982    6.0950654   -1073.7343   -1067.6392 
-   19850        1.985  0.076457367     1329.191    194.76572   -9.7631294     6.268686   -1073.9079   -1067.6392 
-   19900         1.99  0.076457418    1354.9407    199.74508    -9.810328    6.4289505   -1074.0682   -1067.6392 
-   19950        1.995  0.076457493    1364.3708    203.86864   -9.8606606    6.5616706   -1074.2009   -1067.6392 
-   20000            2  0.076457544     1370.452    206.23944   -9.9126035    6.6379764   -1074.2772   -1067.6392 
-   20050        2.005  0.076457509    1383.7523    205.76789   -9.9571492    6.6227992    -1074.262   -1067.6392 
-   20100         2.01  0.076457429    1414.7434    202.49809   -9.9940319     6.517558   -1074.1568   -1067.6392 
-   20150        2.015  0.076457429    1440.4523    197.73428   -10.025459    6.3642312   -1074.0035   -1067.6392 
-   20200         2.02  0.076457497    1438.5359    193.30554   -10.048612    6.2216888   -1073.8609   -1067.6392 
-   20250        2.025   0.07645744    1414.6747    190.72151   -10.062382    6.1385198   -1073.7778   -1067.6392 
-   20300         2.03   0.07645731    1378.8817    190.25946   -10.069669    6.1236485   -1073.7629   -1067.6392 
-   20350        2.035  0.076457261    1346.5661    190.90571   -10.074723    6.1444483   -1073.7837   -1067.6392 
-   20400         2.04  0.076457374    1317.3739    191.59018    -10.08691    6.1664785   -1073.8057   -1067.6392 
-   20450        2.045  0.076457432    1298.4495    191.78045   -10.110389    6.1726027   -1073.8118   -1067.6392 
-   20500         2.05  0.076457389    1307.5371    191.15865   -10.137263    6.1525895   -1073.7918   -1067.6392 
-   20550        2.055   0.07645742      1349.47    189.92735   -10.166271    6.1129591   -1073.7522   -1067.6392 
-   20600         2.06  0.076457466    1398.5195     188.8647   -10.202844    6.0787568    -1073.718   -1067.6392 
-   20650        2.065  0.076457498    1429.8721    188.62808    -10.24022    6.0711412   -1073.7104   -1067.6392 
-   20700         2.07  0.076457542    1418.3434    189.78814   -10.271874    6.1084787   -1073.7477   -1067.6392 
-   20750        2.075  0.076457458    1385.6893    192.47669   -10.295734    6.1950118   -1073.8342   -1067.6392 
-   20800         2.08  0.076457259    1384.4289    196.10104   -10.308523    6.3116642   -1073.9509   -1067.6392 
-   20850        2.085    0.0764572    1421.2966      200.257   -10.317753    6.4454271   -1074.0847   -1067.6392 
-   20900         2.09  0.076457326    1452.7855    205.19616   -10.341775    6.6043977   -1074.2436   -1067.6392 
-   20950        2.095  0.076457501    1427.8013    210.86618   -10.385931    6.7868916   -1074.4261   -1067.6392 
-   21000          2.1  0.076457596    1357.2483    216.14216    -10.43158    6.9567033   -1074.5959   -1067.6392 
-   21050        2.105   0.07645759    1324.5353     219.6255   -10.462375    7.0688173   -1074.7081   -1067.6392 
-   21100         2.11  0.076457496    1347.0889    220.73435    -10.48964    7.1045064   -1074.7437   -1067.6392 
-   21150        2.115  0.076457458    1361.8801    219.46337   -10.529469    7.0635988   -1074.7028   -1067.6392 
-   21200         2.12  0.076457466    1365.4715    216.13572   -10.578785    6.9564959   -1074.5957   -1067.6392 
-   21250        2.125  0.076457537    1362.6717    211.57708   -10.625983    6.8097726    -1074.449   -1067.6392 
-   21300         2.13  0.076457586    1340.2017    206.63829    -10.66147    6.6508137     -1074.29   -1067.6392 
-   21350        2.135  0.076457554    1331.9946    201.93393   -10.679818    6.4994001   -1074.1386   -1067.6392 
-   21400         2.14  0.076457547    1347.0023    198.28955    -10.68412     6.382103   -1074.0213   -1067.6392 
-   21450        2.145  0.076457533    1340.6741     196.9082   -10.686481    6.3376433   -1073.9769   -1067.6392 
-   21500         2.15  0.076457456    1316.0121    198.72879   -10.696049    6.3962403   -1074.0355   -1067.6392 
-   21550        2.155  0.076457391    1324.8545    203.55687   -10.714867     6.551636   -1074.1909   -1067.6392 
-   21600         2.16  0.076457382    1351.2014    209.51125   -10.739588    6.7432823   -1074.3825   -1067.6392 
-   21650        2.165  0.076457455    1366.4862    213.95654   -10.765901    6.8863571   -1074.5256   -1067.6392 
-   21700         2.17  0.076457459    1377.4225    215.23385   -10.795997    6.9274684   -1074.5667   -1067.6392 
-   21750        2.175  0.076457481    1396.0304    212.90984   -10.825441    6.8526684   -1074.4919   -1067.6392 
-   21800         2.18  0.076457615    1387.0649    207.72279   -10.844968    6.6857194    -1074.325   -1067.6392 
-   21850        2.185   0.07645756    1347.9695    201.50492    -10.85814    6.4855922   -1074.1248   -1067.6392 
-   21900         2.19  0.076457366    1323.2228    196.28581   -10.872625    6.3176113   -1073.9568   -1067.6392 
-   21950        2.195  0.076457329    1315.1922    193.83068   -10.887085    6.2385908   -1073.8778   -1067.6392 
-   22000          2.2  0.076457369    1307.9895    195.03955   -10.898532    6.2774994   -1073.9167   -1067.6392 
-   22050        2.205  0.076457333    1302.1738    199.68283   -10.909377    6.4269467   -1074.0662   -1067.6392 
-   22100         2.21  0.076457379    1305.5855    206.92378   -10.917331    6.6600025   -1074.2992   -1067.6392 
-   22150        2.215  0.076457515    1304.6883    215.29251   -10.918892    6.9293567   -1074.5686   -1067.6392 
-   22200         2.22  0.076457547    1296.8284    222.98568   -10.922929    7.1769673   -1074.8162   -1067.6392 
-   22250        2.225  0.076457453    1286.8966    228.09069   -10.938316     7.341276   -1074.9805   -1067.6392 
-   22300         2.23  0.076457432    1283.0205    228.97664   -10.961235     7.369791    -1075.009   -1067.6392 
-   22350        2.235  0.076457491    1270.3982    225.44347   -10.985727     7.256073   -1074.8953   -1067.6392 
-   22400         2.24  0.076457539    1249.8598    219.23739   -11.012893    7.0563256   -1074.6956   -1067.6392 
-   22450        2.245  0.076457476    1240.8541    212.79326   -11.044291    6.8489162   -1074.4881   -1067.6392 
-   22500         2.25  0.076457394    1216.6944    207.29518   -11.068062    6.6719563   -1074.3112   -1067.6392 
-   22550        2.255   0.07645743    1199.1131    202.98585   -11.071495    6.5332571   -1074.1725   -1067.6392 
-   22600         2.26  0.076457488    1212.1478    200.96232   -11.064393    6.4681283   -1074.1074   -1067.6392 
-   22650        2.265  0.076457528    1237.8172    202.93395   -11.064895    6.5315867   -1074.1708   -1067.6392 
-   22700         2.27  0.076457598    1271.2811    209.42782   -11.076273     6.740597   -1074.3798   -1067.6392 
-   22750        2.275  0.076457625      1292.63    218.78195   -11.089805    7.0416668   -1074.6809   -1067.6392 
-   22800         2.28  0.076457646    1294.2671    227.41133   -11.098416      7.31941   -1074.9586   -1067.6392 
-   22850        2.285   0.07645765    1293.2803     231.3383    -11.10365    7.4458026    -1075.085   -1067.6392 
-   22900         2.29  0.076457537    1276.9806     228.2557    -11.10958     7.346587   -1074.9858   -1067.6392 
-   22950        2.295  0.076457429    1247.4583    218.93487   -11.118854    7.0465888   -1074.6858   -1067.6392 
-   23000          2.3   0.07645749    1220.8505    206.99183    -11.13279    6.6621926   -1074.3014   -1067.6392 
-   23050        2.305  0.076457684    1195.6985    196.96159      -11.149    6.3393615   -1073.9786   -1067.6392 
-   23100         2.31  0.076457705    1177.6963    192.24501   -11.168942    6.1875548   -1073.8268   -1067.6392 
-   23150        2.315  0.076457622     1189.909    193.63937   -11.194406    6.2324333   -1073.8717   -1067.6392 
-   23200         2.32  0.076457629    1176.2126    199.45702   -11.222484    6.4196791   -1074.0589   -1067.6392 
-   23250        2.325  0.076457691    1143.0276      207.378   -11.256925    6.6746219   -1074.3139   -1067.6392 
-   23300         2.33  0.076457654    1149.5521    215.51136   -11.297612    6.9364003   -1074.5756   -1067.6392 
-   23350        2.335  0.076457506    1175.2519     222.4968   -11.332657    7.1612322   -1074.8005   -1067.6392 
-   23400         2.34   0.07645745    1206.0616     227.6206   -11.358013    7.3261457   -1074.9654   -1067.6392 
-   23450        2.345  0.076457571    1244.7472    230.22754   -11.372594    7.4100522   -1075.0493   -1067.6392 
-   23500         2.35  0.076457771    1284.7778    229.70862   -11.373027    7.3933501   -1075.0326   -1067.6392 
-   23550        2.355  0.076457864    1311.4158     226.4096   -11.368792    7.2871688   -1074.9264   -1067.6392 
-   23600         2.36  0.076457811    1306.2401    221.71694   -11.376759    7.1361318   -1074.7754   -1067.6392 
-   23650        2.365  0.076457644    1286.7748    217.10502   -11.396699    6.9876935   -1074.6269   -1067.6392 
-   23700         2.37  0.076457559    1285.9692     213.6234   -11.411758    6.8756348   -1074.5149   -1067.6392 
-   23750        2.375  0.076457583    1315.8724    212.16671    -11.41765    6.8287501    -1074.468   -1067.6392 
-   23800         2.38  0.076457631    1339.9814    212.92958    -11.42278    6.8533037   -1074.4925   -1067.6392 
-   23850        2.385  0.076457734    1345.9875    214.96489   -11.430277     6.918812    -1074.558   -1067.6392 
-   23900         2.39  0.076457858    1361.0323    217.03056   -11.439982     6.985297   -1074.6245   -1067.6392 
-   23950        2.395  0.076457821    1349.6621    218.41589   -11.451629    7.0298849   -1074.6691   -1067.6392 
-   24000          2.4  0.076457708    1314.3225    219.11487   -11.463434    7.0523821   -1074.6916   -1067.6392 
-   24050        2.405  0.076457674    1317.1772    219.55885   -11.474327     7.066672   -1074.7059   -1067.6392 
-   24100         2.41  0.076457767     1340.506     220.1472   -11.487319    7.0856086   -1074.7248   -1067.6392 
-   24150        2.415  0.076457818    1335.5812    220.89722   -11.505688    7.1097485    -1074.749   -1067.6392 
-   24200         2.42  0.076457791    1314.6836    221.34153   -11.523839    7.1240489   -1074.7633   -1067.6392 
-   24250        2.425    0.0764578    1318.1131    221.06173   -11.535018    7.1150433   -1074.7543   -1067.6392 
-   24300         2.43  0.076457733    1331.7464    220.35927   -11.543314    7.0924342   -1074.7317   -1067.6392 
-   24350        2.435  0.076457676     1349.095    220.17248   -11.558019    7.0864221   -1074.7257   -1067.6392 
-   24400         2.44  0.076457742    1356.5902    221.03788   -11.578741    7.1142759   -1074.7535   -1067.6392 
-   24450        2.445  0.076457749    1335.6175    222.53673   -11.601255    7.1625175   -1074.8017   -1067.6392 
-   24500         2.45  0.076457723    1333.7469    223.84826   -11.630787    7.2047301    -1074.844   -1067.6392 
-   24550        2.455   0.07645779     1345.535    223.91615   -11.665528    7.2069151   -1074.8461   -1067.6392 
-   24600         2.46  0.076457891    1349.7061    222.16848   -11.700181    7.1506649   -1074.7899   -1067.6392 
-   24650        2.465  0.076457886    1343.7465    219.10866   -11.729696    7.0521824   -1074.6914   -1067.6392 
-   24700         2.47  0.076457762    1339.7649    216.23529   -11.746431    6.9597005   -1074.5989   -1067.6392 
-   24750        2.475  0.076457705     1355.939    215.51975   -11.750957    6.9366704   -1074.5759   -1067.6392 
-   24800         2.48  0.076457776    1356.4139    218.30642   -11.757207    7.0263614   -1074.6656   -1067.6392 
-   24850        2.485  0.076457848    1330.0312    224.05179   -11.772578    7.2112807   -1074.8505   -1067.6392 
-   24900         2.49  0.076457863    1297.5013     230.5494   -11.792498    7.4204112   -1075.0596   -1067.6392 
-   24950        2.495  0.076457868    1290.2485    235.49414   -11.816527    7.5795618   -1075.2188   -1067.6392 
-   25000          2.5  0.076457817    1324.8441    237.34082    -11.84201    7.6389985   -1075.2782   -1067.6392 
-   25050        2.505  0.076457813    1382.8669    235.99886   -11.868053    7.5958063    -1075.235   -1067.6392 
-   25100         2.51  0.076457866    1404.5052    232.75422   -11.897872    7.4913751   -1075.1306   -1067.6392 
-   25150        2.515  0.076457758    1373.5678    229.12093   -11.930189    7.3744349   -1075.0137   -1067.6392 
-   25200         2.52  0.076457631    1340.2368    225.89973   -11.961129    7.2707582     -1074.91   -1067.6392 
-   25250        2.525  0.076457603    1287.6672    223.17935   -11.988402    7.1832006   -1074.8224   -1067.6392 
-   25300         2.53  0.076457707    1215.9369    221.04361   -12.017068    7.1144602   -1074.7537   -1067.6392 
-   25350        2.535  0.076457838    1180.1736    219.67591   -12.055753    7.0704398   -1074.7097   -1067.6392 
-   25400         2.54  0.076457842    1170.0761    218.91437   -12.098288    7.0459289   -1074.6852   -1067.6392 
-   25450        2.545  0.076457763    1167.2929    218.81794   -12.132702    7.0428252   -1074.6821   -1067.6392 
-   25500         2.55  0.076457742    1155.4395    219.83672   -12.154195    7.0756153   -1074.7148   -1067.6392 
-   25550        2.555  0.076457848     1131.146    222.18391   -12.164224    7.1511617   -1074.7904   -1067.6392 
-   25600         2.56  0.076457871    1116.0652    225.47579   -12.165095    7.2571134   -1074.8963   -1067.6392 
-   25650        2.565  0.076457678    1117.8567    229.01451   -12.157967    7.3710097   -1075.0102   -1067.6392 
-   25700         2.57  0.076457577    1115.2103     232.4771   -12.148741    7.4824559   -1075.1217   -1067.6392 
-   25750        2.575   0.07645762    1102.8295    236.02578   -12.149186    7.5966728   -1075.2359   -1067.6392 
-   25800         2.58  0.076457709    1096.6263    239.31704   -12.161384    7.7026045   -1075.3418   -1067.6392 
-   25850        2.585  0.076457771    1099.7531    240.71012   -12.161592     7.747442   -1075.3867   -1067.6392 
-   25900         2.59  0.076457794    1113.7391    239.15473   -12.139363    7.6973807   -1075.3366   -1067.6392 
-   25950        2.595   0.07645781    1147.6615    235.77781   -12.120655    7.5886918   -1075.2279   -1067.6392 
-   26000          2.6  0.076457803    1195.6627     232.4229   -12.122283    7.4807114   -1075.1199   -1067.6392 
-   26050        2.605  0.076457723    1213.8878    230.05021   -12.134196    7.4043447   -1075.0436   -1067.6392 
-   26100         2.61  0.076457662    1191.4257    228.34601    -12.14523    7.3494937   -1074.9887   -1067.6392 
-   26150        2.615  0.076457767    1186.9577    226.17929   -12.149057    7.2797559    -1074.919   -1067.6392 
-   26200         2.62  0.076457849    1226.0678    223.24397   -12.148604    7.1852804   -1074.8245   -1067.6392 
-   26250        2.625  0.076457784    1270.1774    220.78885   -12.161228    7.1062605   -1074.7455   -1067.6392 
-   26300         2.63  0.076457753    1268.5951    220.05927   -12.190785    7.0827783    -1074.722   -1067.6392 
-   26350        2.635  0.076457796    1244.3015    221.38274   -12.221833    7.1253752   -1074.7646   -1067.6392 
-   26400         2.64  0.076457904    1225.8939     224.5378   -12.241241    7.2269233   -1074.8662   -1067.6392 
-   26450        2.645  0.076457928     1204.224    229.04038   -12.247464    7.3718425   -1075.0111   -1067.6392 
-   26500         2.65  0.076457842    1199.5629    234.11351   -12.243703    7.5351249   -1075.1744   -1067.6392 
-   26550        2.655    0.0764578    1235.5048     238.7946   -12.230359    7.6857895    -1075.325   -1067.6392 
-   26600         2.66  0.076457721     1281.541    242.70107   -12.219967    7.8115224   -1075.4508   -1067.6392 
-   26650        2.665    0.0764577    1281.3617    245.64082   -12.229105    7.9061404   -1075.5454   -1067.6392 
-   26700         2.67   0.07645779    1230.3534    246.77381   -12.256827    7.9426067   -1075.5818   -1067.6392 
-   26750        2.675  0.076457839    1175.2288    245.47917   -12.297669    7.9009375   -1075.5402   -1067.6392 
-   26800         2.68  0.076457784    1149.9437    242.07494   -12.342321    7.7913698   -1075.4306   -1067.6392 
-   26850        2.685  0.076457711    1169.6008    237.70339   -12.376334     7.650668   -1075.2899   -1067.6392 
-   26900         2.69  0.076457632    1210.4254      233.714   -12.396735    7.5222663   -1075.1615   -1067.6392 
-   26950        2.695  0.076457617    1244.0163    230.58832   -12.405269    7.4216639   -1075.0609   -1067.6392 
-   27000          2.7  0.076457659    1257.3494    228.32233   -12.406329    7.3487312    -1074.988   -1067.6392 
-   27050        2.705  0.076457668    1242.1629     227.1087    -12.40368    7.3096696   -1074.9489   -1067.6392 
-   27100         2.71  0.076457682    1217.8126    227.49963   -12.404175    7.3222522   -1074.9615   -1067.6392 
-   27150        2.715  0.076457706    1217.8124     229.8195   -12.417454    7.3969191   -1075.0361   -1067.6392 
-   27200         2.72  0.076457701    1219.6581     233.1475   -12.435301    7.5040334   -1075.1433   -1067.6392 
-   27250        2.725  0.076457686    1211.6763     235.8244    -12.43823    7.5901913   -1075.2294   -1067.6392 
-   27300         2.73  0.076457643    1225.8491    236.93145   -12.423077    7.6258227   -1075.2651   -1067.6392 
-   27350        2.735  0.076457549    1261.0199    236.94668   -12.410644    7.6263127   -1075.2655   -1067.6392 
-   27400         2.74  0.076457483    1284.2546    236.98531   -12.421882    7.6275561   -1075.2668   -1067.6392 
-   27450        2.745  0.076457556    1281.5681    237.67885   -12.455724    7.6498782   -1075.2891   -1067.6392 
-   27500         2.75  0.076457685     1256.839    238.55422   -12.493006    7.6780526   -1075.3173   -1067.6392 
-   27550        2.755  0.076457693    1220.0129    238.19759   -12.515867    7.6665742   -1075.3058   -1067.6392 
-   27600         2.76  0.076457632    1193.1779    235.68564   -12.532016    7.5857252    -1075.225   -1067.6392 
-   27650        2.765  0.076457609      1192.09    231.33982   -12.558081    7.4458516   -1075.0851   -1067.6392 
-   27700         2.77  0.076457625    1202.0934     226.4355   -12.590497    7.2880024   -1074.9272   -1067.6392 
-   27750        2.775  0.076457615    1223.3689    222.74878   -12.619082    7.1693425   -1074.8086   -1067.6392 
-   27800         2.78  0.076457614    1236.1154    221.25926   -12.636081    7.1214011   -1074.7606   -1067.6392 
-   27850        2.785  0.076457572    1215.5551    222.18867    -12.64127    7.1513149   -1074.7905   -1067.6392 
-   27900         2.79   0.07645756    1193.3848    226.01602   -12.647063    7.2745009   -1074.9137   -1067.6392 
-   27950        2.795  0.076457569    1199.0777    232.72902   -12.662048    7.4905641   -1075.1298   -1067.6392 
-   28000          2.8  0.076457558    1226.0822     240.9006   -12.684171    7.7535728   -1075.3928   -1067.6392 
-   28050        2.805  0.076457525    1250.6269    248.18701   -12.706245    7.9880915   -1075.6273   -1067.6392 
-   28100         2.81  0.076457523    1248.7874    252.69422   -12.722605    8.1331597   -1075.7724   -1067.6392 
-   28150        2.815   0.07645753    1230.0137    253.95916   -12.737961    8.1738726   -1075.8131   -1067.6392 
-   28200         2.82  0.076457605    1234.0819    252.35766   -12.756693    8.1223272   -1075.7616   -1067.6392 
-   28250        2.825   0.07645771     1254.628     248.5247   -12.774833    7.9989605   -1075.6382   -1067.6392 
-   28300         2.83   0.07645778     1281.309    243.72026   -12.788447    7.8443256   -1075.4836   -1067.6392 
-   28350        2.835  0.076457708    1285.3002     239.8707   -12.802912    7.7204245   -1075.3597   -1067.6392 
-   28400         2.84  0.076457582    1256.9488    238.10994   -12.817628    7.6637532    -1075.303   -1067.6392 
-   28450        2.845  0.076457576    1242.8447    238.02503   -12.821369    7.6610204   -1075.3003   -1067.6392 
-   28500         2.85  0.076457672    1248.8453    238.87258   -12.815092    7.6882993   -1075.3275   -1067.6392 
-   28550        2.855   0.07645771    1281.7135     240.3983   -12.811904    7.7374058   -1075.3766   -1067.6392 
-   28600         2.86   0.07645762     1294.605    242.33371   -12.814653    7.7996987   -1075.4389   -1067.6392 
-   28650        2.865  0.076457529    1252.3957    244.15537   -12.817984    7.8583301   -1075.4976   -1067.6392 
-   28700         2.87  0.076457548    1213.8804    245.30616    -12.82322    7.8953691   -1075.5346   -1067.6392 
-   28750        2.875  0.076457553    1200.6384    245.23015   -12.835086    7.8929227   -1075.5322   -1067.6392 
-   28800         2.88  0.076457552    1189.7135    243.32741   -12.845696    7.8316815   -1075.4709   -1067.6392 
-   28850        2.885  0.076457676    1171.5405    239.66267   -12.847297    7.7137291    -1075.353   -1067.6392 
-   28900         2.89  0.076457794     1182.195    235.25919   -12.851038    7.5719995   -1075.2112   -1067.6392 
-   28950        2.895  0.076457813    1224.8369    230.84518   -12.859984    7.4299314   -1075.0692   -1067.6392 
-   29000          2.9  0.076457656     1269.692     226.8838   -12.858576    7.3024311   -1074.9417   -1067.6392 
-   29050        2.905  0.076457468    1286.8403    225.08705   -12.856504    7.2446013   -1074.8838   -1067.6392 
-   29100         2.91    0.0764575    1271.0526    226.82973   -12.880368    7.3006909   -1074.9399   -1067.6392 
-   29150        2.915   0.07645747    1248.4957    230.86777   -12.929739    7.4306583   -1075.0699   -1067.6392 
-   29200         2.92   0.07645748    1245.8599    234.77185   -12.982866    7.5563142   -1075.1955   -1067.6392 
-   29250        2.925  0.076457588      1257.79    237.40229   -13.022402    7.6409768   -1075.2802   -1067.6392 
-   29300         2.93  0.076457597    1260.7886    239.44496   -13.046942    7.7067219    -1075.346   -1067.6392 
-   29350        2.935   0.07645748    1254.7882    242.29319   -13.065883    7.7983943   -1075.4376   -1067.6392 
-   29400         2.94  0.076457359    1263.4607    246.63741   -13.085623    7.9382166   -1075.5774   -1067.6392 
-   29450        2.945  0.076457332    1289.6554    251.59184   -13.099481    8.0976788   -1075.7369   -1067.6392 
-   29500         2.95  0.076457414    1305.0692    255.25633   -13.098228    8.2156232   -1075.8549   -1067.6392 
-   29550        2.955  0.076457494    1277.7916    256.65211   -13.088762    8.2605473   -1075.8998   -1067.6392 
-   29600         2.96  0.076457446    1192.1394    256.67442   -13.090594    8.2612654   -1075.9005   -1067.6392 
-   29650        2.965  0.076457417     1102.145    257.10406   -13.122356    8.2750937   -1075.9143   -1067.6392 
-   29700         2.97  0.076457454    1062.1511    258.80127   -13.182596    8.3297196    -1075.969   -1067.6392 
-   29750        2.975  0.076457483    1054.3636    261.18603   -13.249025    8.4064751   -1076.0457   -1067.6392 
-   29800         2.98  0.076457498    1047.2927    263.27484   -13.304946    8.4737052   -1076.1129   -1067.6392 
-   29850        2.985  0.076457496    1036.3496     264.2054   -13.347539     8.503656   -1076.1429   -1067.6392 
-   29900         2.99  0.076457524    1049.8211    263.14933   -13.375057    8.4696654   -1076.1089   -1067.6392 
-   29950        2.995  0.076457485    1086.8925    259.64496   -13.389366    8.3568747   -1075.9961   -1067.6392 
-   30000            3  0.076457358    1121.0033     253.8035   -13.399945    8.1688626   -1075.8081   -1067.6392 
-   30050        3.005  0.076457431     1153.305    246.37026   -13.414937     7.929618   -1075.5688   -1067.6392 
-   30100         3.01  0.076457504    1145.6871    238.79622   -13.434682    7.6858415   -1075.3251   -1067.6392 
-   30150        3.015  0.076457434    1115.5285    232.85496   -13.455727    7.4946177   -1075.1338   -1067.6392 
-   30200         3.02  0.076457399    1103.9994     229.6959   -13.474938     7.392941   -1075.0322   -1067.6392 
-   30250        3.025  0.076457501    1101.6296    229.35272   -13.488841    7.3818953   -1075.0211   -1067.6392 
-   30300         3.03  0.076457539    1112.6865    231.35224   -13.495096    7.4462514   -1075.0855   -1067.6392 
-   30350        3.035  0.076457548     1123.796    235.35091   -13.499855    7.5749517   -1075.2142   -1067.6392 
-   30400         3.04  0.076457611    1111.9754    240.67564   -13.509248    7.7463324   -1075.3856   -1067.6392 
-   30450        3.045  0.076457553    1103.8338    246.28636   -13.523249    7.9269177   -1075.5661   -1067.6392 
-   30500         3.05  0.076457568    1119.7372    251.34267   -13.540792     8.089659   -1075.7289   -1067.6392 
-   30550        3.055  0.076457571    1132.1966    255.24219    -13.56046    8.2151678   -1075.8544   -1067.6392 
-   30600         3.06  0.076457421     1124.379    257.49852   -13.581214    8.2877897    -1075.927   -1067.6392 
-   30650        3.065  0.076457351    1122.0717    257.82611   -13.600369    8.2983334   -1075.9376   -1067.6392 
-   30700         3.07  0.076457488    1124.7347    256.51074   -13.616001    8.2559974   -1075.8952   -1067.6392 
-   30750        3.075  0.076457614    1114.8471    254.66368   -13.629361    8.1965481   -1075.8358   -1067.6392 
-   30800         3.08  0.076457581    1094.5902    253.68827     -13.6371    8.1651537   -1075.8044   -1067.6392 
-   30850        3.085  0.076457515     1073.605    254.18179   -13.626926    8.1810381   -1075.8203   -1067.6392 
-   30900         3.09  0.076457524    1059.6001    255.86129   -13.596369    8.2350942   -1075.8743   -1067.6392 
-   30950        3.095    0.0764576    1050.7385    258.54322   -13.569865    8.3214142   -1075.9606   -1067.6392 
-   31000          3.1  0.076457649    1033.7103    262.19251   -13.574242    8.4388695   -1076.0781   -1067.6392 
-   31050        3.105  0.076457659    1023.1274    265.66302   -13.599347    8.5505704   -1076.1898   -1067.6392 
-   31100         3.11  0.076457746    1039.0568    267.03003   -13.620524    8.5945689   -1076.2338   -1067.6392 
-   31150        3.115  0.076457898    1064.7448    265.17792   -13.632089    8.5349571   -1076.1742   -1067.6392 
-   31200         3.12  0.076458052    1085.3299    260.61936   -13.639394    8.3882363   -1076.0275   -1067.6392 
-   31250        3.125  0.076457928    1090.3799     255.5305   -13.653293    8.2244474   -1075.8637   -1067.6392 
-   31300         3.13  0.076457763    1073.4364    252.27482   -13.679887    8.1196609   -1075.7589   -1067.6392 
-   31350        3.135  0.076457843     1055.311    251.62684   -13.710258     8.098805    -1075.738   -1067.6392 
-   31400         3.14   0.07645797    1050.9396    252.63775   -13.731468     8.131342   -1075.7706   -1067.6392 
-   31450        3.145  0.076457995    1046.9287    253.93922   -13.744029    8.1732308   -1075.8125   -1067.6392 
-   31500         3.15  0.076457929    1022.8429    255.08707   -13.767257    8.2101752   -1075.8494   -1067.6392 
-   31550        3.155  0.076457813    1004.9865    255.64995   -13.801963     8.228292   -1075.8675   -1067.6392 
-   31600         3.16  0.076457767    1012.0538     254.8658   -13.829447    8.2030536   -1075.8423   -1067.6392 
-   31650        3.165  0.076457802    1018.5353    252.69011   -13.844282    8.1330274   -1075.7723   -1067.6392 
-   31700         3.17  0.076457799    1017.5009      249.999    -13.85414    8.0464118   -1075.6856   -1067.6392 
-   31750        3.175  0.076457841    1019.8774    248.32876   -13.869648    7.9926539   -1075.6319   -1067.6392 
-   31800         3.18  0.076457886    1027.7011    249.00645   -13.900943     8.014466   -1075.6537   -1067.6392 
-   31850        3.185   0.07645785    1032.5018    251.69035   -13.947711    8.1008491   -1075.7401   -1067.6392 
-   31900         3.19  0.076457837    1045.2307    254.29935   -13.987581    8.1848219   -1075.8241   -1067.6392 
-   31950        3.195  0.076457885    1056.0235     255.3938   -14.000115    8.2200476   -1075.8593   -1067.6392 
-   32000          3.2  0.076457879    1063.1819    256.13783   -14.001498    8.2439948   -1075.8832   -1067.6392 
-   32050        3.205  0.076457704    1063.2852     258.5764   -14.010496    8.3224822   -1075.9617   -1067.6392 
-   32100         3.21  0.076457634    1060.1503    263.31955   -14.023472    8.4751441   -1076.1144   -1067.6392 
-   32150        3.215   0.07645773    1082.1484    268.96215   -14.036792    8.6567557    -1076.296   -1067.6392 
-   32200         3.22  0.076457724     1103.843     273.4235   -14.055183    8.8003475   -1076.4396   -1067.6392 
-   32250        3.225  0.076457625    1120.0414    275.94618   -14.084096    8.8815421   -1076.5208   -1067.6392 
-   32300         3.23  0.076457606    1136.3108    276.73679   -14.116774    8.9069885   -1076.5462   -1067.6392 
-   32350        3.235   0.07645768    1140.5919    275.77159   -14.139186    8.8759228   -1076.5152   -1067.6392 
-   32400         3.24  0.076457802     1142.314    273.10495   -14.154735    8.7900947   -1076.4293   -1067.6392 
-   32450        3.245  0.076457801    1159.6999    269.05809   -14.173996    8.6598435   -1076.2991   -1067.6392 
-   32500         3.25  0.076457663    1174.6995    264.30819   -14.195702    8.5069643   -1076.1462   -1067.6392 
-   32550        3.255   0.07645754    1185.7335    260.56202   -14.220076    8.3863908   -1076.0256   -1067.6392 
-   32600         3.26   0.07645745     1198.982    259.45314   -14.241025    8.3507006   -1075.9899   -1067.6392 
-   32650        3.265  0.076457456    1199.5794    261.37319   -14.253149    8.4124991   -1076.0517   -1067.6392 
-   32700         3.27  0.076457573    1179.3566     265.3589   -14.262294     8.540782     -1076.18   -1067.6392 
-   32750        3.275  0.076457607    1165.0216    269.79834   -14.273699     8.683669   -1076.3229   -1067.6392 
-   32800         3.28  0.076457614    1173.1315    273.40897   -14.289043    8.7998799   -1076.4391   -1067.6392 
-   32850        3.285  0.076457555    1178.2206    274.57793   -14.299588    8.8375039   -1076.4767   -1067.6392 
-   32900         3.29  0.076457497    1160.0236    271.50252   -14.294919    8.7385195   -1076.3778   -1067.6392 
-   32950        3.295  0.076457473    1144.3971      264.301   -14.284674    8.5067327    -1076.146   -1067.6392 
-   33000          3.3  0.076457442    1138.8725    255.31826   -14.284777    8.2176163   -1075.8568   -1067.6392 
-   33050        3.305  0.076457458    1135.3747    247.47369   -14.298209    7.9651327   -1075.6044   -1067.6392 
-   33100         3.31   0.07645749    1148.9774     242.6502   -14.315521     7.809885   -1075.4491   -1067.6392 
-   33150        3.315  0.076457432    1189.6279    241.36912   -14.324008    7.7686525   -1075.4079   -1067.6392 
-   33200         3.32  0.076457424    1218.5788    243.90794   -14.331626    7.8503665   -1075.4896   -1067.6392 
-   33250        3.325  0.076457482    1226.0538    250.03113   -14.352941    8.0474459   -1075.6867   -1067.6392 
-   33300         3.33  0.076457454    1217.2314    257.73002   -14.374194    8.2952407   -1075.9345   -1067.6392 
-   33350        3.335  0.076457399    1179.6803    264.28604   -14.379749    8.5062513   -1076.1455   -1067.6392 
-   33400         3.34  0.076457379    1147.4971    267.79867   -14.373039    8.6193079   -1076.2585   -1067.6392 
-   33450        3.345  0.076457399    1124.9366    267.92167   -14.366464    8.6232668   -1076.2625   -1067.6392 
-   33500         3.35  0.076457444    1092.1841     265.9319   -14.368822    8.5592245   -1076.1985   -1067.6392 
-   33550        3.355  0.076457408    1060.5254    264.14114    -14.37771    8.5015877   -1076.1408   -1067.6392 
-   33600         3.36   0.07645736    1052.8302    265.02822   -14.389997    8.5301389   -1076.1694   -1067.6392 
-   33650        3.365  0.076457327    1071.8382    269.77669   -14.410837    8.6829721   -1076.3222   -1067.6392 
-   33700         3.37  0.076457378    1077.2229    277.22693   -14.442017    8.9227639    -1076.562   -1067.6392 
-   33750        3.375  0.076457477    1071.9501    284.74963   -14.478049    9.1648879   -1076.8041   -1067.6392 
-   33800         3.38  0.076457559     1090.056    289.50132   -14.506085    9.3178246   -1076.9571   -1067.6392 
-   33850        3.385  0.076457575    1101.8505    289.82737   -14.514725     9.328319   -1076.9676   -1067.6392 
-   33900         3.39  0.076457503    1091.3063    286.53466   -14.509436    9.2223404   -1076.8616   -1067.6392 
-   33950        3.395  0.076457435    1087.1463    282.13005   -14.507235    9.0805746   -1076.7198   -1067.6392 
-   34000          3.4  0.076457382    1079.0451    278.26682   -14.510716    8.9562337   -1076.5955   -1067.6392 
-   34050        3.405  0.076457431    1073.4079    274.56089   -14.506574    8.8369554   -1076.4762   -1067.6392 
-   34100         3.41  0.076457549    1080.3626     270.2225   -14.496075    8.6973209   -1076.3366   -1067.6392 
-   34150        3.415  0.076457614    1081.8942    265.22981   -14.489633    8.5366274   -1076.1759   -1067.6392 
-   34200         3.42  0.076457554    1102.3586    260.17866   -14.492136    8.3740522   -1076.0133   -1067.6392 
-   34250        3.425  0.076457464     1141.421    255.94089    -14.50297    8.2376562   -1075.8769   -1067.6392 
-   34300         3.43  0.076457528    1167.5346    253.78734   -14.520502    8.1683424   -1075.8076   -1067.6392 
-   34350        3.435  0.076457597    1181.2246    255.29171   -14.550339    8.2167619    -1075.856   -1067.6392 
-   34400         3.44  0.076457601    1162.4984    260.55233   -14.591365     8.386079   -1076.0253   -1067.6392 
-   34450        3.445  0.076457485    1116.5653    267.61508    -14.63639    8.6133991   -1076.2526   -1067.6392 
-   34500         3.45   0.07645735    1088.0554    273.74226   -14.675649    8.8106072   -1076.4498   -1067.6392 
-   34550        3.455  0.076457477    1088.7296     277.3573   -14.702608    8.9269599   -1076.5662   -1067.6392 
-   34600         3.46  0.076457673    1090.2675    279.19132   -14.732125    8.9859893   -1076.6252   -1067.6392 
-   34650        3.465   0.07645765    1100.9294    280.27784    -14.77937    9.0209599   -1076.6602   -1067.6392 
-   34700         3.47  0.076457569    1122.6353    279.51649   -14.824493    8.9964553   -1076.6357   -1067.6392 
-   34750        3.475  0.076457534    1143.7477    275.73199   -14.844911     8.874648   -1076.5139   -1067.6392 
-   34800         3.48  0.076457556    1165.0387    270.72066   -14.849166    8.7133545   -1076.3526   -1067.6392 
-   34850        3.485  0.076457595    1162.8441    267.90858   -14.858627    8.6228456   -1076.2621   -1067.6392 
-   34900         3.49  0.076457625    1139.7512    268.63619   -14.881699    8.6462643   -1076.2855   -1067.6392 
-   34950        3.495  0.076457625    1112.7165    270.83924   -14.900675    8.7171711   -1076.3564   -1067.6392 
-   35000          3.5  0.076457606    1086.0982    271.68623   -14.896016    8.7444321   -1076.3837   -1067.6392 
-   35050        3.505  0.076457591    1071.7971    270.42576    -14.87744     8.703863   -1076.3431   -1067.6392 
-   35100         3.51  0.076457658    1060.0049    267.97932   -14.863646    8.6251225   -1076.2644   -1067.6392 
-   35150        3.515  0.076457689    1048.4698    265.72769   -14.860477    8.5526519   -1076.1919   -1067.6392 
-   35200         3.52  0.076457634    1056.5787    265.02751   -14.865903     8.530116   -1076.1693   -1067.6392 
-   35250        3.525  0.076457566    1046.9055    266.33972    -14.87323    8.5723504   -1076.2116   -1067.6392 
-   35300         3.53  0.076457569    1013.1592    269.06436   -14.877187    8.6600451   -1076.2993   -1067.6392 
-   35350        3.535  0.076457656     997.2022    272.57564    -14.87974    8.7730585   -1076.4123   -1067.6392 
-   35400         3.54   0.07645767    994.65584    277.00538   -14.890358    8.9156331   -1076.5549   -1067.6392 
-   35450        3.545  0.076457529    1001.1164    282.19926   -14.906943    9.0828022    -1076.722   -1067.6392 
-   35500         3.55  0.076457424    1005.5196    287.07965   -14.918939    9.2398813   -1076.8791   -1067.6392 
-   35550        3.555  0.076457509    997.69944    290.53612   -14.933609    9.3511304   -1076.9904   -1067.6392 
-   35600         3.56  0.076457585    987.73643    291.05935   -14.952689     9.367971   -1077.0072   -1067.6392 
-   35650        3.565  0.076457527    979.49042     287.4359   -14.968978    9.2513476   -1076.8906   -1067.6392 
-   35700         3.57   0.07645746    984.55099    280.23031   -14.982301      9.01943   -1076.6587   -1067.6392 
-   35750        3.575   0.07645748    1007.1391    271.88244   -14.993121    8.7507474     -1076.39   -1067.6392 
-   35800         3.58  0.076457584    1039.0252    265.93314   -15.003434    8.5592646   -1076.1985   -1067.6392 
-   35850        3.585  0.076457694    1068.9559    264.36704   -15.012954    8.5088585   -1076.1481   -1067.6392 
-   35900         3.59  0.076457572    1070.9201    265.93574   -15.011002     8.559348   -1076.1986   -1067.6392 
-   35950        3.595  0.076457429    1036.7314    268.37032   -15.000108     8.637707   -1076.2769   -1067.6392 
-   36000          3.6  0.076457451    992.35033    270.35259   -15.003655    8.7015079   -1076.3407   -1067.6392 
-   36050        3.605  0.076457474     975.3892    271.29311   -15.025665    8.7317792    -1076.371   -1067.6392 
-   36100         3.61  0.076457434    1003.1636    271.41843   -15.049959    8.7358129    -1076.375   -1067.6392 
-   36150        3.615  0.076457412    1027.3457    271.65889   -15.065017    8.7435522   -1076.3828   -1067.6392 
-   36200         3.62  0.076457466    1042.0311    273.28003   -15.081242      8.79573    -1076.435   -1067.6392 
-   36250        3.625  0.076457508    1050.9908    276.54947   -15.107217    8.9009594   -1076.5402   -1067.6392 
-   36300         3.63  0.076457539    1064.6932    280.62712   -15.141343    9.0322016   -1076.6714   -1067.6392 
-   36350        3.635  0.076457488    1085.4466    284.55482   -15.179271    9.1586178   -1076.7979   -1067.6392 
-   36400         3.64   0.07645739    1094.0882     287.6198   -15.211097    9.2572665   -1076.8965   -1067.6392 
-   36450        3.645  0.076457389    1092.1647    289.93627   -15.238113    9.3318239   -1076.9711   -1067.6392 
-   36500         3.65  0.076457492    1082.1176    292.06035   -15.270924    9.4001889   -1077.0394   -1067.6392 
-   36550        3.655   0.07645746    1078.0108    293.66619   -15.302636    9.4518744   -1077.0911   -1067.6392 
-   36600         3.66  0.076457339    1094.3091    293.79253   -15.317422    9.4559406   -1077.0952   -1067.6392 
-   36650        3.665  0.076457274    1100.3857    292.13609    -15.32291    9.4026267   -1077.0419   -1067.6392 
-   36700         3.67    0.0764573    1059.1813    288.62112   -15.334691    9.2894948   -1076.9287   -1067.6392 
-   36750        3.675  0.076457376    1010.0955    283.16513   -15.348493    9.1138894   -1076.7531   -1067.6392 
-   36800         3.68   0.07645743    1004.7965    277.87783   -15.360479    8.9437136   -1076.5829   -1067.6392 
-   36850        3.685  0.076457375    1018.8309    276.50784   -15.379064    8.8996193   -1076.5388   -1067.6392 
-   36900         3.69  0.076457369     1028.961    278.28003   -15.401946    8.9566587   -1076.5959   -1067.6392 
-   36950        3.695  0.076457388    1023.5143    278.85362   -15.418664    8.9751201   -1076.6144   -1067.6392 
-   37000          3.7  0.076457408     1012.265    276.41504   -15.427991    8.8966325   -1076.5359   -1067.6392 
-   37050        3.705  0.076457493    990.96196    271.81651   -15.438424    8.7486254   -1076.3879   -1067.6392 
-   37100         3.71  0.076457562     981.1712    266.91048   -15.456878    8.5907211     -1076.23   -1067.6392 
-   37150        3.715  0.076457539      986.354    263.91762    -15.48189    8.4943933   -1076.1336   -1067.6392 
-   37200         3.72  0.076457423    996.09368    264.87626   -15.509807     8.525248   -1076.1645   -1067.6392 
-   37250        3.725  0.076457402    997.16422    270.68182    -15.53609    8.7121043   -1076.3513   -1067.6392 
-   37300         3.73  0.076457531    991.56754     280.3235   -15.553199    9.0224294   -1076.6617   -1067.6392 
-   37350        3.735  0.076457475      983.899    291.64399   -15.567246    9.3867882    -1077.026   -1067.6392 
-   37400         3.74  0.076457375    957.07127    302.31861   -15.591292    9.7303592   -1077.3696   -1067.6392 
-   37450        3.745  0.076457441     915.9148    310.31227   -15.627635    9.9876414   -1077.6269   -1067.6392 
-   37500         3.75  0.076457477    897.56201    314.34798   -15.671163    10.117534   -1077.7568   -1067.6392 
-   37550        3.755  0.076457431    903.88431    313.87044    -15.71386    10.102164   -1077.7414   -1067.6392 
-   37600         3.76  0.076457491    917.28579    308.82801   -15.749285    9.9398693   -1077.5791   -1067.6392 
-   37650        3.765  0.076457525    942.06017    299.66951   -15.772048    9.6450956   -1077.2843   -1067.6392 
-   37700         3.77  0.076457445    961.28174    287.88151   -15.778198    9.2656899   -1076.9049   -1067.6392 
-   37750        3.775  0.076457477     958.2021    276.39254   -15.772569    8.8959083   -1076.5351   -1067.6392 
-   37800         3.78  0.076457557    948.94806    268.64513   -15.765698    8.6465521   -1076.2858   -1067.6392 
-   37850        3.785  0.076457556    947.78704     266.8871   -15.766401    8.5899684   -1076.2292   -1067.6392 
-   37900         3.79  0.076457558    962.37609    270.88487   -15.776472    8.7186398   -1076.3579   -1067.6392 
-   37950        3.795  0.076457526    991.61874    278.53558   -15.795866    8.9648839   -1076.6041   -1067.6392 
-   38000          3.8  0.076457499     1010.916    287.47978   -15.824326      9.25276    -1076.892   -1067.6392 
-   38050        3.805  0.076457489    993.35135     295.7602   -15.862726    9.5192717   -1077.1585   -1067.6392 
-   38100         3.81  0.076457546    989.74778    301.47541   -15.907632      9.70322   -1077.3425   -1067.6392 
-   38150        3.815   0.07645761     993.3824    303.44671   -15.946558    9.7666679   -1077.4059   -1067.6392 
-   38200         3.82  0.076457588    988.80567    302.40203   -15.977266     9.733044   -1077.3723   -1067.6392 
-   38250        3.825   0.07645753    984.55282    300.11697   -16.011838    9.6594977   -1077.2987   -1067.6392 
-   38300         3.83  0.076457562    983.37008    297.61678   -16.053812    9.5790269   -1077.2183   -1067.6392 
-   38350        3.835  0.076457613    1000.3554    294.80409   -16.085202    9.4884983   -1077.1277   -1067.6392 
-   38400         3.84  0.076457626    1033.4664      291.876   -16.096115    9.3942555   -1077.0335   -1067.6392 
-   38450        3.845  0.076457661    1047.3368    290.07519   -16.110059    9.3362953   -1076.9755   -1067.6392 
-   38500         3.85  0.076457655    1024.7937    289.82293   -16.139554     9.328176   -1076.9674   -1067.6392 
-   38550        3.855  0.076457638    1017.4806     289.8687   -16.161946    9.3296489   -1076.9689   -1067.6392 
-   38600         3.86  0.076457592    1039.5043    289.37833   -16.169892    9.3138662   -1076.9531   -1067.6392 
-   38650        3.865  0.076457557    1063.9366    288.50085   -16.171467    9.2856238   -1076.9249   -1067.6392 
-   38700         3.87  0.076457677     1070.449     287.9452   -16.169902    9.2677398    -1076.907   -1067.6392 
-   38750        3.875  0.076457662     1052.016    288.41298   -16.166026    9.2827956    -1076.922   -1067.6392 
-   38800         3.88  0.076457605    1032.1006    289.76121   -16.162583    9.3261896   -1076.9654   -1067.6392 
-   38850        3.885  0.076457712    1020.3335     291.3617    -16.16773    9.3777023   -1077.0169   -1067.6392 
-   38900         3.89  0.076457683    1015.7433    292.68938   -16.184231    9.4204347   -1077.0597   -1067.6392 
-   38950        3.895  0.076457564    1027.8269    293.63898    -16.21584    9.4509986   -1077.0902   -1067.6392 
-   39000          3.9  0.076457619    1038.6319    293.97207   -16.254979    9.4617194    -1077.101   -1067.6392 
-   39050        3.905  0.076457705    1044.5679      293.885   -16.278531    9.4589168   -1077.0981   -1067.6392 
-   39100         3.91  0.076457709    1046.1788     295.0006    -16.27343    9.4948231   -1077.1341   -1067.6392 
-   39150        3.915  0.076457649    1023.8873    298.98535   -16.251292    9.6230756   -1077.2623   -1067.6392 
-   39200         3.92  0.076457633    1000.8332    305.48222   -16.233015    9.8321825   -1077.4714   -1067.6392 
-   39250        3.925   0.07645756    988.14502    312.10448   -16.230005    10.045325   -1077.6846   -1067.6392 
-   39300         3.93  0.076457575    997.35073    315.81405   -16.238203     10.16472    -1077.804   -1067.6392 
-   39350        3.935  0.076457677    1028.5818    314.19089   -16.240391    10.112478   -1077.7517   -1067.6392 
-   39400         3.94  0.076457714    1045.4201    306.98031    -16.22979    9.8803995   -1077.5196   -1067.6392 
-   39450        3.945  0.076457711    1044.1918    297.96176   -16.221111    9.5901304   -1077.2294   -1067.6392 
-   39500         3.95  0.076457669    1031.5483     292.5692   -16.214559    9.4165666   -1077.0558   -1067.6392 
-   39550        3.955   0.07645756    1025.8724    290.92753   -16.201804    9.3637283    -1077.003   -1067.6392 
-   39600         3.96  0.076457551    1043.0568    290.57097   -16.194891    9.3522522   -1076.9915   -1067.6392 
-   39650        3.965  0.076457568    1064.0457    291.54866   -16.212818    9.3837199   -1077.0229   -1067.6392 
-   39700         3.97  0.076457614    1074.2493    294.08039   -16.259022    9.4652057   -1077.1044   -1067.6392 
-   39750        3.975  0.076457622    1045.9401    296.58886   -16.307783    9.5459427   -1077.1852   -1067.6392 
-   39800         3.98  0.076457589    1003.4409    297.25507   -16.339872    9.5673852   -1077.2066   -1067.6392 
-   39850        3.985  0.076457612    993.64485    295.77116   -16.361298    9.5196243   -1077.1589   -1067.6392 
-   39900         3.99  0.076457712    1006.0484     293.1885   -16.376761    9.4364994   -1077.0757   -1067.6392 
-   39950        3.995  0.076457679    991.57157     290.9198   -16.379302    9.3634795   -1077.0027   -1067.6392 
-   40000            4  0.076457582    964.36543    290.23473   -16.367849    9.3414299   -1076.9807   -1067.6392 
-   40050        4.005  0.076457559    954.79409    292.02726   -16.354715    9.3991239   -1077.0384   -1067.6392 
-   40100         4.01  0.076457588    961.79789    296.03902   -16.354183    9.5282455   -1077.1675   -1067.6392 
-   40150        4.015    0.0764576    986.86742    299.96659   -16.365093    9.6546575   -1077.2939   -1067.6392 
-   40200         4.02  0.076457589    994.14866    300.89633   -16.372591    9.6845819   -1077.3238   -1067.6392 
-   40250        4.025  0.076457645    996.14585    298.37892   -16.367541    9.6035572   -1077.2428   -1067.6392 
-   40300         4.03  0.076457675     1009.035    295.25357   -16.358503    9.5029652   -1077.1422   -1067.6392 
-   40350        4.035  0.076457598    1014.8105    294.51698   -16.354826    9.4792575   -1077.1185   -1067.6392 
-   40400         4.04  0.076457586    1029.6311     295.9285   -16.358567    9.5246883   -1077.1639   -1067.6392 
-   40450        4.045  0.076457599    1038.8165    296.70455    -16.37191    9.5496663   -1077.1889   -1067.6392 
-   40500         4.05  0.076457523    1019.8005    294.96456   -16.392342    9.4936634   -1077.1329   -1067.6392 
-   40550        4.055  0.076457428    1023.4475    291.60684    -16.41267    9.3855926   -1077.0248   -1067.6392 
-   40600         4.06  0.076457444    1057.8107    289.35106   -16.430176    9.3129884   -1076.9522   -1067.6392 
-   40650        4.065  0.076457557    1057.6424    290.01367   -16.442565    9.3343151   -1076.9735   -1067.6392 
-   40700         4.07  0.076457689    1032.0152    293.01599   -16.440441     9.430947   -1077.0702   -1067.6392 
-   40750        4.075  0.076457733    1027.6923    297.33249   -16.429161    9.5698769   -1077.2091   -1067.6392 
-   40800         4.08  0.076457683    1049.2581    302.71656   -16.425908    9.7431675   -1077.3824   -1067.6392 
-   40850        4.085  0.076457676    1062.7046    309.06748   -16.434404    9.9475769   -1077.5868   -1067.6392 
-   40900         4.09  0.076457757    1056.9788     316.0858   -16.451775    10.173467   -1077.8127   -1067.6392 
-   40950        4.095  0.076457774    1073.6105    322.63471   -16.485634    10.384248   -1078.0235   -1067.6392 
-   41000          4.1  0.076457723    1102.1708    326.00311   -16.532097    10.492663   -1078.1319   -1067.6392 
-   41050        4.105  0.076457742    1135.7358    323.78206   -16.572384    10.421177   -1078.0604   -1067.6392 
-   41100         4.11  0.076457839    1150.9624    315.72207   -16.586201     10.16176    -1077.801   -1067.6392 
-   41150        4.115    0.0764579    1133.6801    304.50129   -16.576495    9.8006105   -1077.4398   -1067.6392 
-   41200         4.12  0.076457874    1106.7713    294.55355   -16.562247    9.4804346   -1077.1197   -1067.6392 
-   41250        4.125  0.076457816     1077.861    288.97154   -16.546794    9.3007733     -1076.94   -1067.6392 
-   41300         4.13  0.076457775    1049.8951    288.68305   -16.541043    9.2914881   -1076.9307   -1067.6392 
-   41350        4.135  0.076457789    1040.6446    293.17749   -16.568222    9.4361451   -1077.0754   -1067.6392 
-   41400         4.14  0.076457796    1062.3287    300.13752   -16.620751     9.660159   -1077.2994   -1067.6392 
-   41450        4.145  0.076457888    1076.5853    306.09407   -16.668767    9.8518751   -1077.4911   -1067.6392 
-   41500         4.15  0.076457877    1065.2199    308.61394   -16.698067    9.9329793   -1077.5722   -1067.6392 
-   41550        4.155  0.076457852    1068.7881    308.03917   -16.719828    9.9144797   -1077.5537   -1067.6392 
-   41600         4.16   0.07645779    1068.4578    306.44808   -16.737367    9.8632693   -1077.5025   -1067.6392 
-   41650        4.165  0.076457748    1034.0147    305.80908   -16.739572    9.8427024   -1077.4819   -1067.6392 
-   41700         4.17  0.076457762    999.13334    306.91055   -16.733356    9.8781543   -1077.5174   -1067.6392 
-   41750        4.175  0.076457738     1002.966    308.67217   -16.740815    9.9348535   -1077.5741   -1067.6392 
-   41800         4.18  0.076457662    1026.9401    309.28404    -16.76882    9.9545468   -1077.5938   -1067.6392 
-   41850        4.185  0.076457785    1048.1545    308.26721   -16.803047    9.9218192   -1077.5611   -1067.6392 
-   41900         4.19  0.076457896    1061.9672    306.79451   -16.828056    9.8744195   -1077.5136   -1067.6392 
-   41950        4.195  0.076457788    1063.3452    305.81438   -16.838103    9.8428732   -1077.4821   -1067.6392 
-   42000          4.2  0.076457653    1066.6376    305.00511   -16.838688    9.8168263   -1077.4561   -1067.6392 
-   42050        4.205  0.076457619    1066.8981      303.458   -16.842064    9.7670311   -1077.4063   -1067.6392 
-   42100         4.21  0.076457741     1057.308    300.62005   -16.861587    9.6756897   -1077.3149   -1067.6392 
-   42150        4.215  0.076457798    1034.8812    296.98868   -16.899542    9.5588112    -1077.198   -1067.6392 
-   42200         4.22  0.076457741    1006.9297     294.0721   -16.935797    9.4649389   -1077.1042   -1067.6392 
-   42250        4.225  0.076457708    986.75051     293.0943   -16.947693    9.4334674   -1077.0727   -1067.6392 
-   42300         4.23  0.076457808    969.75426    294.20406   -16.945858    9.4691862   -1077.1084   -1067.6392 
-   42350        4.235  0.076457868    963.74596    296.59463   -16.946926    9.5461283   -1077.1854   -1067.6392 
-   42400         4.24  0.076457778    979.44368    299.96439   -16.956659    9.6545866   -1077.2938   -1067.6392 
-   42450        4.245  0.076457791     984.2135    304.59299   -16.974496    9.8035617   -1077.4428   -1067.6392 
-   42500         4.25  0.076457854    979.70863    310.10222   -16.997517    9.9808808   -1077.6201   -1067.6392 
-   42550        4.255  0.076457845    963.18828    315.17089   -17.018507     10.14402   -1077.7833   -1067.6392 
-   42600         4.26   0.07645772    924.95483    318.99173   -17.029395    10.266996   -1077.9062   -1067.6392 
-   42650        4.265  0.076457639    917.86112    322.34212   -17.035941    10.374831   -1078.0141   -1067.6392 
-   42700         4.27   0.07645774    944.82028    325.38302   -17.047468    10.472705   -1078.1119   -1067.6392 
-   42750        4.275  0.076457938    960.10214    326.61344   -17.067033    10.512307   -1078.1515   -1067.6392 
-   42800         4.28  0.076458022    972.52239    325.00876   -17.091275    10.460659   -1078.0999   -1067.6392 
-   42850        4.285  0.076458002    992.87865    320.17152   -17.108075    10.304969   -1077.9442   -1067.6392 
-   42900         4.29  0.076457841     1006.327    311.59438   -17.103583    10.028907   -1077.6681   -1067.6392 
-   42950        4.295  0.076457788    1002.2455    300.38593   -17.078254    9.6681543   -1077.3074   -1067.6392 
-   43000          4.3  0.076457862    996.17457    290.24794   -17.044976    9.3418551   -1076.9811   -1067.6392 
-   43050        4.305  0.076457877    1000.9547    285.54988    -17.01983    9.1906446   -1076.8299   -1067.6392 
-   43100         4.31  0.076457942    988.65155    288.59122   -17.015533    9.2885325   -1076.9278   -1067.6392 
-   43150        4.315  0.076457999    972.41145    298.32202   -17.033256    9.6017256    -1077.241   -1067.6392 
-   43200         4.32  0.076458028    948.97512    311.09248   -17.065815    10.012753    -1077.652   -1067.6392 
-   43250        4.325  0.076457935    916.82485    322.42515   -17.093329    10.377504   -1078.0167   -1067.6392 
-   43300         4.33  0.076457873    899.77572    329.85568   -17.106846    10.616661   -1078.2559   -1067.6392 
-   43350        4.335  0.076457929    878.86717    333.35452   -17.115682    10.729274   -1078.3685   -1067.6392 
-   43400         4.34  0.076457966    874.70786    333.18911   -17.121427     10.72395   -1078.3632   -1067.6392 
-   43450        4.345  0.076458006    891.26384    329.38375   -17.117357    10.601472   -1078.2407   -1067.6392 
-   43500         4.35  0.076458001    898.35186     322.8122   -17.107186    10.389961   -1078.0292   -1067.6392 
-   43550        4.355  0.076458013    901.74597    315.36342   -17.103127    10.150216   -1077.7894   -1067.6392 
-   43600         4.36  0.076458088    926.67246     308.8075   -17.112922    9.9392091   -1077.5784   -1067.6392 
-   43650        4.365  0.076458104     960.6166    303.94548   -17.140357    9.7827213    -1077.422   -1067.6392 
-   43700         4.37  0.076458063    975.11769    300.59062   -17.177028    9.6747425    -1077.314   -1067.6392 
-   43750        4.375  0.076458054    968.24523    298.47066   -17.207996      9.60651   -1077.2457   -1067.6392 
-   43800         4.38  0.076458041    964.14007    298.09373   -17.232401    9.5943781   -1077.2336   -1067.6392 
-   43850        4.385  0.076457954    965.79688    300.53579   -17.264344    9.6729776   -1077.3122   -1067.6392 
-   43900         4.39  0.076457854    955.96603    305.88479   -17.306956    9.8451395   -1077.4844   -1067.6392 
-   43950        4.395  0.076457896    941.12525    312.31823   -17.341534    10.052205   -1077.6914   -1067.6392 
-   44000          4.4  0.076457859    938.67889     317.5795   -17.360921    10.221543   -1077.8608   -1067.6392 
-   44050        4.405  0.076457719    947.63231    320.31294   -17.381896    10.309521   -1077.9488   -1067.6392 
-   44100         4.41  0.076457755    969.34037    320.05455   -17.418322    10.301204   -1077.9404   -1067.6392 
-   44150        4.415  0.076457877    994.80806    316.92978   -17.455307    10.200631   -1077.8399   -1067.6392 
-   44200         4.42  0.076457883    994.27896    312.50804   -17.485343    10.058314   -1077.6975   -1067.6392 
-   44250        4.425  0.076457773    973.05564    308.95598   -17.522396     9.943988   -1077.5832   -1067.6392 
-   44300         4.43  0.076457724    951.78988    307.21327   -17.563966    9.8878976   -1077.5271   -1067.6392 
-   44350        4.435  0.076457759    928.72012    308.03041   -17.602557    9.9141978   -1077.5534   -1067.6392 
-   44400         4.44  0.076457834    916.44987    311.99524   -17.635148    10.041809    -1077.681   -1067.6392 
-   44450        4.445  0.076457893    928.75804    317.70608   -17.652296    10.225617   -1077.8648   -1067.6392 
-   44500         4.45  0.076457885    943.60516    322.59137   -17.661113    10.382853   -1078.0221   -1067.6392 
-   44550        4.455  0.076457906    945.49994    325.00133   -17.680273     10.46042   -1078.0997   -1067.6392 
-   44600         4.46  0.076457941    952.36178     325.6626   -17.717875    10.481703   -1078.1209   -1067.6392 
-   44650        4.465  0.076457852    940.32266    326.47902   -17.757759    10.507981   -1078.1472   -1067.6392 
-   44700         4.47  0.076457689    897.56364    327.57886   -17.783166     10.54338   -1078.1826   -1067.6392 
-   44750        4.475  0.076457713    857.39373     327.4808   -17.804428    10.540224   -1078.1795   -1067.6392 
-   44800         4.48   0.07645791    851.17923    325.52967   -17.833839    10.477425   -1078.1167   -1067.6392 
-   44850        4.485  0.076458019    869.19875    322.22447   -17.859584    10.371045   -1078.0103   -1067.6392 
-   44900         4.49  0.076457959    892.97974    318.64189   -17.864667    10.255737    -1077.895   -1067.6392 
-   44950        4.495  0.076457921    899.76829    316.57454   -17.858322    10.189197   -1077.8284   -1067.6392 
-   45000          4.5   0.07645794    879.79667    318.12269   -17.875334    10.239026   -1077.8783   -1067.6392 
-   45050        4.505  0.076457864     861.6753    323.54624   -17.930753    10.413587   -1078.0528   -1067.6392 
-   45100         4.51  0.076457773    868.31935    329.69269   -17.990903    10.611415   -1078.2506   -1067.6392 
-   45150        4.515  0.076457818     892.5502    332.57348   -18.015322    10.704136   -1078.3434   -1067.6392 
-   45200         4.52  0.076457979    934.55633    331.51408   -18.006044    10.670038   -1078.3093   -1067.6392 
-   45250        4.525  0.076457934    969.26205    329.02929   -17.994029    10.590063   -1078.2293   -1067.6392 
-   45300         4.53  0.076457821    986.82839    326.98424   -17.994973    10.524241   -1078.1635   -1067.6392 
-   45350        4.535  0.076457878     969.0246    325.50185   -18.001111     10.47653   -1078.1158   -1067.6392 
-   45400         4.54  0.076458012    949.66785    324.76289   -18.004536    10.452746    -1078.092   -1067.6392 
-   45450        4.545  0.076457931    934.25079    325.87047   -18.014727    10.488394   -1078.1276   -1067.6392 
-   45500         4.55  0.076457855    926.68239    328.82491   -18.026773    10.583485   -1078.2227   -1067.6392 
-   45550        4.555  0.076457796    929.74295     331.7329   -18.027681    10.677081   -1078.3163   -1067.6392 
-   45600         4.56  0.076457858     934.2471    332.34645   -18.020161    10.696829   -1078.3361   -1067.6392 
-   45650        4.565  0.076457947    919.70747    330.09857   -18.007458    10.624479   -1078.2637   -1067.6392 
-   45700         4.57  0.076457972    912.95486    326.17283   -17.995078    10.498126   -1078.1374   -1067.6392 
-   45750        4.575  0.076457896    941.11127    321.60716   -17.994665    10.351176   -1077.9904   -1067.6392 
-   45800         4.58  0.076457862    966.79612    317.78513   -18.009696    10.228161   -1077.8674   -1067.6392 
-   45850        4.585  0.076457935    944.28578    315.85752   -18.027571     10.16612   -1077.8053   -1067.6392 
-   45900         4.59  0.076458044    901.04422    316.68004   -18.043848    10.192593   -1077.8318   -1067.6392 
-   45950        4.595  0.076458007    879.51756    320.93625   -18.067698    10.329582   -1077.9688   -1067.6392 
-   46000          4.6  0.076457964    872.83739    327.90148   -18.094801    10.553764    -1078.193   -1067.6392 
-   46050        4.605  0.076457967    876.29409    335.50363   -18.112035    10.798445   -1078.4377   -1067.6392 
-   46100         4.61  0.076457881    897.82101    341.25719   -18.123994    10.983628   -1078.6229   -1067.6392 
-   46150        4.615  0.076457848    917.72011    342.09311   -18.135768    11.010532   -1078.6498   -1067.6392 
-   46200         4.62  0.076457904    935.79066    336.81461   -18.142721     10.84064   -1078.4799   -1067.6392 
-   46250        4.625   0.07645791      958.856    329.24209   -18.153564    10.596912   -1078.2361   -1067.6392 
-   46300         4.63  0.076457941    976.84674    323.74284   -18.177828    10.419914   -1078.0591   -1067.6392 
-   46350        4.635  0.076457974    986.64452    321.53234   -18.208728    10.348768    -1077.988   -1067.6392 
-   46400         4.64  0.076457862     996.7259    323.14828    -18.22492    10.400778     -1078.04   -1067.6392 
-   46450        4.645  0.076457805    1006.0233    328.59085    -18.21408    10.575952   -1078.2152   -1067.6392 
-   46500         4.65  0.076457941    1004.0925    335.85497   -18.186199    10.809753    -1078.449   -1067.6392 
-   46550        4.655  0.076457976    986.50596    341.77518   -18.164044      11.0003   -1078.6395   -1067.6392 
-   46600         4.66  0.076457959    977.94506    343.98758   -18.166618    11.071507   -1078.7107   -1067.6392 
-   46650        4.665   0.07645792    979.65854    341.91053   -18.193889    11.004656   -1078.6439   -1067.6392 
-   46700         4.67   0.07645783     995.8469    337.32643   -18.237006    10.857113   -1078.4963   -1067.6392 
-   46750        4.675  0.076457742    996.88168    332.71719   -18.282271    10.708761    -1078.348   -1067.6392 
-   46800         4.68  0.076457785    982.69373    328.43469   -18.306019    10.570925   -1078.2102   -1067.6392 
-   46850        4.685  0.076457823    978.36015     323.5801   -18.306181    10.414677   -1078.0539   -1067.6392 
-   46900         4.69  0.076457791    962.75325    318.03098     -18.3112    10.236074   -1077.8753   -1067.6392 
-   46950        4.695  0.076457771    943.72644    312.62711   -18.333493    10.062146   -1077.7014   -1067.6392 
-   47000          4.7  0.076457655    933.06364    309.79024   -18.359925    9.9708393   -1077.6101   -1067.6392 
-   47050        4.705  0.076457527    923.63321    312.99794   -18.385002    10.074082   -1077.7133   -1067.6392 
-   47100         4.71  0.076457491    918.61147     323.5351   -18.420653    10.413228   -1078.0525   -1067.6392 
-   47150        4.715  0.076457637    920.24413    338.17027   -18.464512    10.884273   -1078.5235   -1067.6392 
-   47200         4.72  0.076457729    914.26076    351.25395   -18.491106    11.305381   -1078.9446   -1067.6392 
-   47250        4.725   0.07645769    894.45791    358.77754   -18.490423    11.547534   -1079.1868   -1067.6392 
-   47300         4.73  0.076457673    866.24513    359.47999   -18.476062    11.570142   -1079.2094   -1067.6392 
-   47350        4.735  0.076457644    850.87063    353.65236   -18.459228    11.382576   -1079.0218   -1067.6392 
-   47400         4.74   0.07645765    861.60254    342.84162   -18.444647    11.034624   -1078.6739   -1067.6392 
-   47450        4.745  0.076457629    868.52502     329.8691   -18.432312    10.617093   -1078.2563   -1067.6392 
-   47500         4.75  0.076457475    874.96863    318.16288   -18.423034    10.240319   -1077.8795   -1067.6392 
-   47550        4.755  0.076457461    893.70831    310.61468   -18.425459    9.9973745   -1077.6366   -1067.6392 
-   47600         4.76  0.076457507    898.58686    308.29041   -18.437291    9.9225663   -1077.5618   -1067.6392 
-   47650        4.765  0.076457495    906.98902    310.84197   -18.447354     10.00469   -1077.6439   -1067.6392 
-   47700         4.77  0.076457476    917.08363    317.51731   -18.453233    10.219541   -1077.8588   -1067.6392 
-   47750        4.775   0.07645741    913.18684    326.63525   -18.458615    10.513009   -1078.1522   -1067.6392 
-   47800         4.78  0.076457341    914.30453    335.22798   -18.466228    10.789573   -1078.4288   -1067.6392 
-   47850        4.785  0.076457324    930.54553    340.64884   -18.477564    10.964047   -1078.6033   -1067.6392 
-   47900         4.79  0.076457362    944.82928     342.0923   -18.497904    11.010506   -1078.6497   -1067.6392 
-   47950        4.795  0.076457403    948.97835     339.9758   -18.525445    10.942385   -1078.5816   -1067.6392 
-   48000          4.8  0.076457478    949.55048    335.14347   -18.544304    10.786853   -1078.4261   -1067.6392 
-   48050        4.805  0.076457492    934.49484     329.4616   -18.547259    10.603977   -1078.2432   -1067.6392 
-   48100         4.81  0.076457483     906.2488    325.50663   -18.537762    10.476683   -1078.1159   -1067.6392 
-   48150        4.815  0.076457537    907.61196    324.83016   -18.527959    10.454911   -1078.0941   -1067.6392 
-   48200         4.82  0.076457521    928.41301    327.05163   -18.532299    10.526411   -1078.1656   -1067.6392 
-   48250        4.825  0.076457453    941.11541     331.5379   -18.558254    10.670805     -1078.31   -1067.6392 
-   48300         4.83   0.07645744    943.62955    337.63093   -18.594136    10.866914   -1078.5061   -1067.6392 
-   48350        4.835  0.076457431    950.73848     343.5387    -18.62029     11.05706   -1078.6963   -1067.6392 
-   48400         4.84  0.076457508    977.05827    347.46226   -18.634634    11.183342   -1078.8226   -1067.6392 
-   48450        4.845  0.076457572    985.51176    349.38288   -18.652405    11.245159   -1078.8844   -1067.6392 
-   48500         4.85    0.0764575    966.51991    350.00883   -18.680976    11.265306   -1078.9045   -1067.6392 
-   48550        4.855  0.076457449    952.81522    348.84984   -18.705088    11.228003   -1078.8672   -1067.6392 
-   48600         4.86   0.07645757     956.4504    345.07299   -18.706134    11.106442   -1078.7457   -1067.6392 
-   48650        4.865  0.076457648    962.27213     339.6091   -18.687227    10.930583   -1078.5698   -1067.6392 
-   48700         4.87  0.076457531    951.28586    335.48047   -18.675207    10.797699   -1078.4369   -1067.6392 
-   48750        4.875  0.076457622    939.27346    335.37698   -18.691822    10.794368   -1078.4336   -1067.6392 
-   48800         4.88   0.07645763    929.93644    338.62392   -18.723472    10.898874   -1078.5381   -1067.6392 
-   48850        4.885   0.07645746     927.0018    341.61788   -18.739309    10.995236   -1078.6345   -1067.6392 
-   48900         4.89  0.076457454     933.2133    341.45716   -18.734537    10.990064   -1078.6293   -1067.6392 
-   48950        4.895  0.076457525    927.17347    338.03446   -18.732333    10.879901   -1078.5191   -1067.6392 
-   49000          4.9  0.076457565    934.00454    333.29208   -18.749493    10.727264   -1078.3665   -1067.6392 
-   49050        4.905  0.076457546    946.42674    329.88244   -18.783172    10.617522   -1078.2568   -1067.6392 
-   49100         4.91  0.076457456    953.85036    329.62056   -18.816988    10.609094   -1078.2483   -1067.6392 
-   49150        4.915  0.076457497    981.62511    332.41677   -18.829947    10.699092   -1078.3383   -1067.6392 
-   49200         4.92  0.076457502     1010.935    336.90702   -18.819016    10.843614   -1078.4828   -1067.6392 
-   49250        4.925  0.076457418    1025.5157    341.57069   -18.807495    10.993718   -1078.6329   -1067.6392 
-   49300         4.93  0.076457502    1027.8193    344.89678   -18.811783    11.100771     -1078.74   -1067.6392 
-   49350        4.935  0.076457543     1020.505    345.48293   -18.816811    11.119636   -1078.7589   -1067.6392 
-   49400         4.94  0.076457478    1016.2039    342.92093   -18.803277    11.037176   -1078.6764   -1067.6392 
-   49450        4.945   0.07645749    1018.2955    337.76884   -18.778837    10.871352   -1078.5106   -1067.6392 
-   49500         4.95   0.07645759    1012.1553    330.63853   -18.761954    10.641858   -1078.2811   -1067.6392 
-   49550        4.955  0.076457651     985.5222    322.69351   -18.765732    10.386141   -1078.0254   -1067.6392 
-   49600         4.96  0.076457607    966.22788    316.25074   -18.798665    10.178775    -1077.818   -1067.6392 
-   49650        4.965  0.076457494    961.04675    313.18195   -18.839015    10.080004   -1077.7192   -1067.6392 
-   49700         4.97  0.076457431    960.65868     314.4735   -18.863274    10.121574   -1077.7608   -1067.6392 
-   49750        4.975  0.076457515    966.54445    320.68235   -18.880959     10.32141   -1077.9606   -1067.6392 
-   49800         4.98  0.076457498    965.47876    331.30789    -18.90627    10.663401   -1078.3026   -1067.6392 
-   49850        4.985  0.076457382    964.05595    343.93887   -18.938996    11.069939   -1078.7092   -1067.6392 
-   49900         4.99  0.076457357    944.93024    354.89734   -18.970612    11.422646   -1079.0619   -1067.6392 
-   49950        4.995  0.076457532    918.77322    361.48317   -18.987516    11.634616   -1079.2739   -1067.6392 
-   50000            5   0.07645762    900.51128    363.08297   -18.994661    11.686107   -1079.3253   -1067.6392 
-Loop time of 52.5523 on 4 procs for 50000 steps with 250 atoms
-
-Performance: 8.220 ns/day, 2.920 hours/ns, 951.434 timesteps/s
-94.1% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 10.242     | 10.478     | 10.799     |   6.3 | 19.94
-Neigh   | 0.10368    | 0.10776    | 0.11329    |   1.1 |  0.21
-Comm    | 2.4492     | 2.7097     | 2.8852     |  11.0 |  5.16
-Output  | 5.5737     | 5.9107     | 6.2742     |  11.8 | 11.25
-Modify  | 32.833     | 33.256     | 33.661     |   5.2 | 63.28
-Other   |            | 0.09063    |            |       |  0.17
-
-Nlocal:    62.5 ave 66 max 57 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-Nghost:    772 ave 785 max 755 min
-Histogram: 1 0 0 0 0 0 2 0 0 1
-Neighs:    1931 ave 2025 max 1751 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-FullNghs:  3862 ave 4082 max 3518 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-
-Total # of neighbors = 15448
-Ave neighs/atom = 61.792
-Neighbor list builds = 614
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:52
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1 b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..f02c43e28c15ce7ec2fa3eada9409baededa2917
--- /dev/null
+++ b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.1
@@ -0,0 +1,1117 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# bcc iron in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.00074935 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		50000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.319 | 7.319 | 7.319 Mbytes
+Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
+       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
+      50        0.005  0.076456974    9316.7659    96.663685  -0.86504718    3.1111957   -1070.7504   -1067.6392 
+     100         0.01  0.076456983    9488.3743    86.965803  -0.88035771    2.7990619   -1070.4383   -1067.6392 
+     150        0.015  0.076456973    9589.0566    72.421197   -0.8996913    2.3309324   -1069.9702   -1067.6392 
+     200         0.02  0.076456944    9415.3095    55.633188    -0.921682    1.7905973   -1069.4298   -1067.6392 
+     250        0.025  0.076456953    8878.9394    39.802206  -0.94649004    1.2810649   -1068.9203   -1067.6392 
+     300         0.03  0.076457027    8203.3388    27.882295  -0.97253854    0.8974133   -1068.5366   -1067.6392 
+     350        0.035  0.076457103     7720.309    21.776538  -0.99708692   0.70089477   -1068.3401   -1067.6392 
+     400         0.04  0.076457117    7531.0683    21.857102   -1.0190244   0.70348778   -1068.3427   -1067.6392 
+     450        0.045  0.076457072    7479.8073    26.959407   -1.0389343   0.86770942   -1068.5069   -1067.6392 
+     500         0.05  0.076457001    7461.6683     34.92521   -1.0582008     1.124095   -1068.7633   -1067.6392 
+     550        0.055  0.076456962    7396.1112    43.405912   -1.0785156     1.397053   -1069.0363   -1067.6392 
+     600         0.06  0.076456997     7121.894    50.544844    -1.102048     1.626825   -1069.2661   -1067.6392 
+     650        0.065  0.076457079    6683.4805    55.261218   -1.1296588    1.7786252   -1069.4179   -1067.6392 
+     700         0.07  0.076457136    6313.6896     57.25083   -1.1595102    1.8426624   -1069.4819   -1067.6392 
+     750        0.075  0.076457132    6199.0363    56.934336   -1.1893875    1.8324758   -1069.4717   -1067.6392 
+     800         0.08  0.076457116     6265.997    55.266343   -1.2181223    1.7787901    -1069.418   -1067.6392 
+     850        0.085  0.076457116    6326.5886    53.376453   -1.2443326    1.7179626   -1069.3572   -1067.6392 
+     900         0.09  0.076457121    6336.1261    52.279557   -1.2676425    1.6826581   -1069.3219   -1067.6392 
+     950        0.095  0.076457122    6288.4204    52.667743   -1.2902335    1.6951522   -1069.3344   -1067.6392 
+    1000          0.1  0.076457135    6122.1622    54.684094    -1.314147      1.76005   -1069.3993   -1067.6392 
+    1050        0.105  0.076457155    5830.2219    57.880399   -1.3392396    1.8629256   -1069.5022   -1067.6392 
+    1100         0.11  0.076457162    5477.4214    61.505616   -1.3662331     1.979606   -1069.6188   -1067.6392 
+    1150        0.115  0.076457195    5194.1423    64.810972   -1.3984474    2.0859914   -1069.7252   -1067.6392 
+    1200         0.12  0.076457219    5096.2484    67.147472    -1.438326    2.1611935   -1069.8004   -1067.6392 
+    1250        0.125  0.076457214    5180.7444    67.957533   -1.4822383    2.1872659   -1069.8265   -1067.6392 
+    1300         0.13  0.076457208    5332.4483     66.96652   -1.5226303    2.1553694   -1069.7946   -1067.6392 
+    1350        0.135  0.076457225    5441.1287    64.471602   -1.5553539    2.0750686   -1069.7143   -1067.6392 
+    1400         0.14  0.076457244    5466.8622    61.292592   -1.5804721    1.9727496    -1069.612   -1067.6392 
+    1450        0.145   0.07645724     5403.309    58.518161   -1.6006864    1.8834524   -1069.5227   -1067.6392 
+    1500         0.15  0.076457224    5275.2171      57.1713   -1.6196756    1.8401027   -1069.4793   -1067.6392 
+    1550        0.155  0.076457217    5122.7481    57.878063   -1.6407322    1.8628504   -1069.5021   -1067.6392 
+    1600         0.16  0.076457217    4968.5049    60.639452   -1.6657935    1.9517278    -1069.591   -1067.6392 
+    1650        0.165  0.076457208    4850.1861    64.668839    -1.690847    2.0814168   -1069.7206   -1067.6392 
+    1700         0.17  0.076457217    4809.0194    68.693586   -1.7087416    2.2109564   -1069.8502   -1067.6392 
+    1750        0.175  0.076457274    4835.8611    71.611033   -1.7188587    2.3048567   -1069.9441   -1067.6392 
+    1800         0.18  0.076457318    4929.7428    72.815077   -1.7280248    2.3436098   -1069.9828   -1067.6392 
+    1850        0.185  0.076457279    5036.6365    72.102335   -1.7426092    2.3206696   -1069.9599   -1067.6392 
+    1900         0.19  0.076457222    5116.2436    69.579977   -1.7638235    2.2394856   -1069.8787   -1067.6392 
+    1950        0.195  0.076457228    5207.2334    65.715745   -1.7895824    2.1151122   -1069.7543   -1067.6392 
+    2000          0.2  0.076457288    5216.0413    61.340972   -1.8174915    1.9743068   -1069.6135   -1067.6392 
+    2050        0.205  0.076457267    5023.1601    57.468628   -1.8456914    1.8496724   -1069.4889   -1067.6392 
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+   46350        4.635  0.076456555    942.98388      329.128   -18.258965     10.59324   -1078.2325   -1067.6392 
+   46400         4.64   0.07645659    931.95574    338.94782   -18.258301    10.909299   -1078.5485   -1067.6392 
+   46450        4.645  0.076456634    952.04764    347.69672   -18.270432    11.190889   -1078.8301   -1067.6392 
+   46500         4.65  0.076456695    954.27972    354.28335   -18.291901    11.402884   -1079.0421   -1067.6392 
+   46550        4.655  0.076456718    932.47699    357.80024   -18.314064    11.516078   -1079.1553   -1067.6392 
+   46600         4.66  0.076456571    917.15783      358.255    -18.33944    11.530715   -1079.1699   -1067.6392 
+   46650        4.665  0.076456487    914.53778    356.10608   -18.373204     11.46155   -1079.1008   -1067.6392 
+   46700         4.67   0.07645664    926.29271    351.32545   -18.410415    11.307682   -1078.9469   -1067.6392 
+   46750        4.675  0.076456722    955.90982    343.62423   -18.443075    11.059813    -1078.699   -1067.6392 
+   46800         4.68  0.076456662    968.52074    333.76849   -18.472665    10.742598   -1078.3818   -1067.6392 
+   46850        4.685  0.076456611    960.55547    323.74847   -18.502955    10.420096   -1078.0593   -1067.6392 
+   46900         4.69   0.07645658    969.48482    315.29249   -18.530555    10.147933   -1077.7872   -1067.6392 
+   46950        4.695  0.076456538    970.41435    309.50703   -18.552649    9.9617239    -1077.601   -1067.6392 
+   47000          4.7  0.076456607     973.5826    307.27705   -18.562429    9.8899503   -1077.5292   -1067.6392 
+   47050        4.705  0.076456741    971.31274    309.44374   -18.561975    9.9596868   -1077.5989   -1067.6392 
+   47100         4.71  0.076456567    974.56171    315.87966   -18.571858    10.166832   -1077.8061   -1067.6392 
+   47150        4.715  0.076456487      989.886     324.3948    -18.59552    10.440899   -1078.0801   -1067.6392 
+   47200         4.72  0.076456752    991.34022    333.02825   -18.624859    10.718773    -1078.358   -1067.6392 
+   47250        4.725  0.076456811    982.33055    341.27988   -18.652892    10.984358   -1078.6236   -1067.6392 
+   47300         4.73  0.076456654    969.07699    348.54206   -18.671538    11.218097   -1078.8573   -1067.6392 
+   47350        4.735  0.076456603    950.49208    353.80509   -18.681778    11.387491   -1079.0267   -1067.6392 
+   47400         4.74  0.076456655    932.53448    356.59027   -18.691148    11.477134   -1079.1164   -1067.6392 
+   47450        4.745   0.07645674    914.98082    356.88075   -18.707177    11.486484   -1079.1257   -1067.6392 
+   47500         4.75  0.076456846    910.29391    354.25323   -18.733572    11.401915   -1079.0411   -1067.6392 
+   47550        4.755  0.076456842    911.79249    348.56319   -18.768858    11.218777    -1078.858   -1067.6392 
+   47600         4.76  0.076456764    896.25715    341.13087   -18.817172    10.979562   -1078.6188   -1067.6392 
+   47650        4.765  0.076456752    893.56376    333.65355   -18.869281    10.738898   -1078.3781   -1067.6392 
+   47700         4.77  0.076456851    923.22366    328.05385   -18.908457    10.558668   -1078.1979   -1067.6392 
+   47750        4.775  0.076456872    942.84866    326.28411   -18.929889    10.501707   -1078.1409   -1067.6392 
+   47800         4.78  0.076456844    930.32583    328.44034   -18.932985    10.571107   -1078.2103   -1067.6392 
+   47850        4.785  0.076456902    912.36756    332.89004   -18.922464    10.714324   -1078.3536   -1067.6392 
+   47900         4.79  0.076456964    916.62133    338.11673   -18.919206    10.882549   -1078.5218   -1067.6392 
+   47950        4.795  0.076457014    930.75246    342.30195   -18.922007    11.017254   -1078.6565   -1067.6392 
+   48000          4.8  0.076457014    936.01421    343.78811   -18.908628    11.065087   -1078.7043   -1067.6392 
+   48050        4.805  0.076456953    944.54584    342.44511   -18.878537    11.021862   -1078.6611   -1067.6392 
+   48100         4.81  0.076456972    941.98405    339.08691   -18.851545    10.913775    -1078.553   -1067.6392 
+   48150        4.815  0.076456898    920.11331    334.61456   -18.839033    10.769829   -1078.4091   -1067.6392 
+   48200         4.82  0.076456871    907.83719    330.10701   -18.832157     10.62475    -1078.264   -1067.6392 
+   48250        4.825  0.076456918    912.20647    327.58291   -18.826744     10.54351   -1078.1827   -1067.6392 
+   48300         4.83   0.07645699    932.39917    329.24117   -18.830768    10.596882   -1078.2361   -1067.6392 
+   48350        4.835   0.07645701     945.1163     335.0398   -18.840255    10.783516   -1078.4227   -1067.6392 
+   48400         4.84  0.076456836    950.22061    342.35702   -18.841461    11.019026   -1078.6583   -1067.6392 
+   48450        4.845    0.0764567    952.16965    348.50659   -18.834984    11.216955   -1078.8562   -1067.6392 
+   48500         4.85  0.076456712    955.36854    352.21576   -18.825983    11.336338   -1078.9756   -1067.6392 
+   48550        4.855  0.076456801    959.48836    353.76389   -18.820533    11.386165   -1079.0254   -1067.6392 
+   48600         4.86  0.076456823    964.22846    354.04554   -18.822337    11.395231   -1079.0345   -1067.6392 
+   48650        4.865  0.076456815    974.22885    352.93972   -18.818132    11.359639   -1078.9989   -1067.6392 
+   48700         4.87  0.076456877    987.44079    349.70581   -18.807017    11.255553   -1078.8948   -1067.6392 
+   48750        4.875  0.076456856    980.80712    344.37973   -18.808379    11.084129   -1078.7234   -1067.6392 
+   48800         4.88  0.076456847    965.79638    337.63651    -18.81979    10.867093   -1078.5063   -1067.6392 
+   48850        4.885  0.076457001    966.05115     330.7499   -18.830692    10.645442   -1078.2847   -1067.6392 
+   48900         4.89  0.076457069    965.02834    325.77373   -18.849924     10.48528   -1078.1245   -1067.6392 
+   48950        4.895  0.076456805    951.50135    324.61657   -18.890071    10.448036   -1078.0873   -1067.6392 
+   49000          4.9  0.076456678    947.91103    327.27966   -18.934537     10.53375    -1078.173   -1067.6392 
+   49050        4.905  0.076456661    958.11234    332.39046   -18.962498    10.698245   -1078.3375   -1067.6392 
+   49100         4.91  0.076456829    970.05161    338.47836   -18.976168    10.894189   -1078.5334   -1067.6392 
+   49150        4.915   0.07645699    968.15446    343.93729    -18.98603    11.069889   -1078.7091   -1067.6392 
+   49200         4.92  0.076456985    960.59968    346.43043   -18.994109    11.150132   -1078.7894   -1067.6392 
+   49250        4.925  0.076456928    945.53084     343.0733   -18.986613    11.042081   -1078.6813   -1067.6392 
+   49300         4.93  0.076456888    920.51419    333.13647   -18.959986    10.722256   -1078.3615   -1067.6392 
+   49350        4.935  0.076456851    907.35436    320.38291   -18.938752    10.311773    -1077.951   -1067.6392 
+   49400         4.94   0.07645685    893.81547    310.99739   -18.938412    10.009692   -1077.6489   -1067.6392 
+   49450        4.945  0.076456896    870.23823    309.67527    -18.95594    9.9671388   -1077.6064   -1067.6392 
+   49500         4.95  0.076456955    872.77052    317.13999   -18.978605    10.207397   -1077.8466   -1067.6392 
+   49550        4.955  0.076456967    894.83445    330.73629    -18.98876    10.645004   -1078.2842   -1067.6392 
+   49600         4.96  0.076456979     912.1661    346.73247   -18.984428    11.159854   -1078.7991   -1067.6392 
+   49650        4.965  0.076456993    915.70238    361.26297   -18.978545    11.627529   -1079.2668   -1067.6392 
+   49700         4.97  0.076456983    924.58803    370.71298   -18.984487    11.931685   -1079.5709   -1067.6392 
+   49750        4.975  0.076456922    944.17323    372.65166   -18.998747    11.994083   -1079.6333   -1067.6392 
+   49800         4.98  0.076456923    948.92864    367.69228     -19.0113    11.834461   -1079.4737   -1067.6392 
+   49850        4.985  0.076456921    953.93531    359.51215   -19.018592    11.571177   -1079.2104   -1067.6392 
+   49900         4.99  0.076456974    963.60708    351.14054   -19.013112    11.301731    -1078.941   -1067.6392 
+   49950        4.995  0.076456997      970.081    343.67798   -19.003119    11.061543   -1078.7008   -1067.6392 
+   50000            5  0.076457012    1001.2522    337.57276   -19.005327    10.865041   -1078.5043   -1067.6392 
+Loop time of 149.65 on 1 procs for 50000 steps with 250 atoms
+
+Performance: 2.887 ns/day, 8.314 hours/ns, 334.113 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 56.939     | 56.939     | 56.939     |   0.0 | 38.05
+Neigh   | 0.65017    | 0.65017    | 0.65017    |   0.0 |  0.43
+Comm    | 1.4958     | 1.4958     | 1.4958     |   0.0 |  1.00
+Output  | 37.503     | 37.503     | 37.503     |   0.0 | 25.06
+Modify  | 52.788     | 52.788     | 52.788     |   0.0 | 35.27
+Other   |            | 0.2742     |            |       |  0.18
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1335 ave 1335 max 1335 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    7746 ave 7746 max 7746 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  15492 ave 15492 max 15492 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 15492
+Ave neighs/atom = 61.968
+Neighbor list builds = 608
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:02:29
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4 b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..6fc3e307f063c19785b168637541b6db633d6621
--- /dev/null
+++ b/examples/SPIN/iron/log.30Apr19.spin.iron.g++.4
@@ -0,0 +1,1117 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# bcc iron in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.00056982 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+
+set 		group all spin/random 31 2.2
+  250 settings made for spin/random
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_tmag temp v_emag ke pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		50000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.265 | 7.265 | 7.265 Mbytes
+Step Time v_magnorm v_tmag Temp v_emag KinEng PotEng TotEng 
+       0            0  0.076456975    9109.0924    100.00358  -0.85791269    3.2186929   -1070.8579   -1067.6392 
+      50        0.005  0.076456995    9402.4007    96.298333  -0.85659448    3.0994366   -1070.7387   -1067.6392 
+     100         0.01  0.076457028    9589.1846    86.330828  -0.87003341    2.7786247   -1070.4179   -1067.6392 
+     150        0.015  0.076457074    9673.9268    71.603402  -0.89006992    2.3046111   -1069.9438   -1067.6392 
+     200         0.02  0.076457106    9509.1148    54.648817  -0.91124541    1.7589146   -1069.3981   -1067.6392 
+     250        0.025  0.076457128      9004.27    38.599515  -0.93187522    1.2423553   -1068.8816   -1067.6392 
+     300         0.03  0.076457157    8353.4371    26.383018  -0.95082226    0.8491579   -1068.4884   -1067.6392 
+     350        0.035  0.076457207    7911.1316     20.01039  -0.96826468   0.64404992   -1068.2833   -1067.6392 
+     400         0.04  0.076457243    7775.9492    20.097682  -0.98706373   0.64685949   -1068.2861   -1067.6392 
+     450        0.045  0.076457231    7737.1225    25.687511   -1.0095684   0.82677249    -1068.466   -1067.6392 
+     500         0.05  0.076457204    7676.9809    34.604697   -1.0349855     1.113779    -1068.753   -1067.6392 
+     550        0.055  0.076457196    7550.2809    44.251809   -1.0609123    1.4242788   -1069.0635   -1067.6392 
+     600         0.06  0.076457188    7209.7657    52.475202   -1.0880854    1.6889551   -1069.3282   -1067.6392 
+     650        0.065   0.07645718    6691.1787    57.926479   -1.1179657    1.8644087   -1069.5036   -1067.6392 
+     700         0.07  0.076457185    6276.4003    60.030548   -1.1469999    1.9321298   -1069.5714   -1067.6392 
+     750        0.075   0.07645719    6149.9253    59.122504   -1.1721939    1.9029037   -1069.5421   -1067.6392 
+     800         0.08  0.076457195    6207.0587    56.349146   -1.1949365     1.813641   -1069.4529   -1067.6392 
+     850        0.085  0.076457199    6328.4635    53.154464   -1.2164642    1.7108177     -1069.35   -1067.6392 
+     900         0.09  0.076457199    6456.2716    50.837416   -1.2366018    1.6362417   -1069.2755   -1067.6392 
+     950        0.095  0.076457222    6495.1064    50.234549   -1.2539657    1.6168379   -1069.2561   -1067.6392 
+    1000          0.1  0.076457266     6416.775    51.592727   -1.2671834    1.6605519   -1069.2998   -1067.6392 
+    1050        0.105  0.076457256    6305.9015    54.719414   -1.2794824    1.7611868   -1069.4004   -1067.6392 
+    1100         0.11  0.076457222     6165.987     59.01343   -1.2960617    1.8993931   -1069.5386   -1067.6392 
+    1150        0.115  0.076457194    5941.7807    63.475298    -1.317859    2.0430017   -1069.6822   -1067.6392 
+    1200         0.12  0.076457182    5692.0982    67.036713   -1.3432854    2.1576286   -1069.7969   -1067.6392 
+    1250        0.125  0.076457217    5543.1736    68.917405   -1.3719994    2.2181602   -1069.8574   -1067.6392 
+    1300         0.13  0.076457263    5507.9968    68.753418   -1.4042339    2.2128821   -1069.8521   -1067.6392 
+    1350        0.135  0.076457286    5500.7848    66.608286   -1.4385667    2.1438394   -1069.7831   -1067.6392 
+    1400         0.14  0.076457254     5523.456    62.967429   -1.4712143    2.0266556   -1069.6659   -1067.6392 
+    1450        0.145  0.076457188    5501.5777     58.75732   -1.4990458      1.89115   -1069.5304   -1067.6392 
+    1500         0.15  0.076457175    5324.4931    55.246308   -1.5236774    1.7781453   -1069.4174   -1067.6392 
+    1550        0.155  0.076457234    5025.5908    53.607297   -1.5492947    1.7253925   -1069.3646   -1067.6392 
+    1600         0.16  0.076457297    4742.9546    54.443418   -1.5785798    1.7523036   -1069.3915   -1067.6392 
+    1650        0.165  0.076457321     4558.083    57.572305   -1.6113848    1.8530093   -1069.4922   -1067.6392 
+    1700         0.17  0.076457304    4479.4352    62.073307   -1.6443595    1.9978776   -1069.6371   -1067.6392 
+    1750        0.175  0.076457272    4520.5577    66.677964   -1.6742729     2.146082   -1069.7853   -1067.6392 
+    1800         0.18  0.076457253    4659.9114    70.277293   -1.7021557    2.2619292   -1069.9012   -1067.6392 
+    1850        0.185  0.076457257    4734.1597    72.135028   -1.7307798    2.3217219    -1069.961   -1067.6392 
+    1900         0.19  0.076457279    4632.2637    71.873382   -1.7598165    2.3133006   -1069.9525   -1067.6392 
+    1950        0.195  0.076457276    4496.6621     69.52131   -1.7866398    2.2375973   -1069.8768   -1067.6392 
+    2000          0.2  0.076457276    4507.4594     65.61098   -1.8106776    2.1117403    -1069.751   -1067.6392 
+    2050        0.205  0.076457288    4652.9279    61.016261   -1.8317479    1.9638557   -1069.6031   -1067.6392 
+    2100         0.21  0.076457307    4738.4188    56.745795   -1.8489776    1.8264074   -1069.4656   -1067.6392 
+    2150        0.215  0.076457279     4643.423    53.837376   -1.8647516    1.7327977    -1069.372   -1067.6392 
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+   46400         4.64  0.076458549    1012.1208     322.2852   -17.529784    10.372999   -1078.0122   -1067.6392 
+   46450        4.645  0.076458548    1009.7285    324.98438    -17.51749    10.459874   -1078.0991   -1067.6392 
+   46500         4.65  0.076458739    1028.6359    327.73895   -17.495382    10.548533   -1078.1878   -1067.6392 
+   46550        4.655  0.076458848    1054.5382    329.99374   -17.486615    10.621105   -1078.2603   -1067.6392 
+   46600         4.66  0.076458871    1059.0432    330.41234   -17.496838    10.634578   -1078.2738   -1067.6392 
+   46650        4.665  0.076458903    1042.6963    327.41225   -17.503279    10.538018   -1078.1773   -1067.6392 
+   46700         4.67  0.076458964    1022.4908    322.64011    -17.50695    10.384422   -1078.0237   -1067.6392 
+   46750        4.675  0.076458954    994.76603    319.77739    -17.52877    10.292284   -1077.9315   -1067.6392 
+   46800         4.68  0.076458851    984.77354    320.04823   -17.564766    10.301001   -1077.9402   -1067.6392 
+   46850        4.685  0.076458817    982.80807    322.12061    -17.59199    10.367702   -1078.0069   -1067.6392 
+   46900         4.69  0.076458814    979.08705    324.60632   -17.607769    10.447706   -1078.0869   -1067.6392 
+   46950        4.695  0.076458855    991.35981    325.87675   -17.625638    10.488596   -1078.1278   -1067.6392 
+   47000          4.7  0.076459013    990.03823    324.25249   -17.644352    10.436318   -1078.0756   -1067.6392 
+   47050        4.705  0.076459109    971.57257    320.13246   -17.664176    10.303712   -1077.9429   -1067.6392 
+   47100         4.71  0.076459008    942.51677    315.82868   -17.695488    10.165191   -1077.8044   -1067.6392 
+   47150        4.715  0.076458834    914.38458    312.92259   -17.729828    10.071656   -1077.7109   -1067.6392 
+   47200         4.72  0.076458733    915.09427    311.73756   -17.757168    10.033515   -1077.6727   -1067.6392 
+   47250        4.725  0.076458745    929.51292    311.72739   -17.778102    10.033188   -1077.6724   -1067.6392 
+   47300         4.73  0.076458807    924.69906     311.5334   -17.787073    10.026944   -1077.6662   -1067.6392 
+   47350        4.735  0.076458753    911.78727    310.21898   -17.784392    9.9846387   -1077.6239   -1067.6392 
+   47400         4.74  0.076458811    927.84413    308.28881   -17.783399    9.9225147   -1077.5617   -1067.6392 
+   47450        4.745  0.076458948    980.47197    307.41202   -17.799967    9.8942944   -1077.5335   -1067.6392 
+   47500         4.75  0.076458921    1017.4095    308.92974   -17.837931    9.9431434   -1077.5824   -1067.6392 
+   47550        4.755  0.076458813    1013.2842    313.10487   -17.889197    10.077523   -1077.7168   -1067.6392 
+   47600         4.76  0.076458768    999.59926    319.59121    -17.94301    10.286291   -1077.9255   -1067.6392 
+   47650        4.765   0.07645894    987.28899    327.28821   -17.990152    10.534025   -1078.1733   -1067.6392 
+   47700         4.77  0.076459039     970.5822    333.98868   -18.025704    10.749685   -1078.3889   -1067.6392 
+   47750        4.775  0.076458976    960.77569     337.1295   -18.039516    10.850774     -1078.49   -1067.6392 
+   47800         4.78  0.076458945    970.90315    335.79522   -18.031317     10.80783   -1078.4471   -1067.6392 
+   47850        4.785   0.07645907    982.20263    331.08028   -18.021902    10.656076   -1078.2953   -1067.6392 
+   47900         4.79  0.076459119    990.67784    324.66683   -18.027289    10.449654   -1078.0889   -1067.6392 
+   47950        4.795  0.076459083    998.43821    318.73987    -18.04994     10.25889   -1077.8981   -1067.6392 
+   48000          4.8  0.076459069    1008.9151    315.53792   -18.077243    10.155833   -1077.7951   -1067.6392 
+   48050        4.805  0.076458972    1028.1309    316.51509   -18.096678    10.187284   -1077.8265   -1067.6392 
+   48100         4.81  0.076458972    1046.4248     321.4715    -18.10541     10.34681    -1077.986   -1067.6392 
+   48150        4.815  0.076458847    1072.5091     328.3071   -18.108273    10.566819   -1078.2061   -1067.6392 
+   48200         4.82  0.076458729    1115.3266    334.27433   -18.108253    10.758879   -1078.3981   -1067.6392 
+   48250        4.825  0.076458863    1132.7705     338.0335   -18.108395    10.879871   -1078.5191   -1067.6392 
+   48300         4.83  0.076458983    1104.4857    340.31669   -18.122648    10.953357   -1078.5926   -1067.6392 
+   48350        4.835  0.076458942    1068.6895    341.52058   -18.147861    10.992105   -1078.6313   -1067.6392 
+   48400         4.84  0.076458895    1050.2826    340.59905   -18.165876    10.962445   -1078.6017   -1067.6392 
+   48450        4.845  0.076458979     1048.172    336.60118   -18.175839     10.83377    -1078.473   -1067.6392 
+   48500         4.85  0.076458957    1026.5586    330.00847   -18.186406    10.621579   -1078.2608   -1067.6392 
+   48550        4.855  0.076458886    999.91162    322.83938   -18.201023    10.390836   -1078.0301   -1067.6392 
+   48600         4.86  0.076458961    989.90718    317.46387   -18.226455    10.217821   -1077.8571   -1067.6392 
+   48650        4.865  0.076459015    982.96635    315.18649   -18.260376    10.144522   -1077.7838   -1067.6392 
+   48700         4.87  0.076458922    987.30339    316.51586   -18.291398    10.187309   -1077.8265   -1067.6392 
+   48750        4.875  0.076458754    1001.7173    321.20925   -18.314994    10.338369   -1077.9776   -1067.6392 
+   48800         4.88   0.07645878    1018.8788    327.87563   -18.327226    10.552932   -1078.1922   -1067.6392 
+   48850        4.885  0.076458771    1034.4957    334.62729   -18.332453    10.770239   -1078.4095   -1067.6392 
+   48900         4.89  0.076458899    1028.6393    339.07218   -18.341739    10.913301   -1078.5525   -1067.6392 
+   48950        4.895  0.076459103    1007.6856    338.61189   -18.356096    10.898487   -1078.5377   -1067.6392 
+   49000          4.9  0.076459192    999.24745    332.23323   -18.365334    10.693184   -1078.3324   -1067.6392 
+   49050        4.905  0.076459086    996.76706    322.52584   -18.367263    10.380744     -1078.02   -1067.6392 
+   49100         4.91  0.076459029    995.85019    315.08451   -18.370824     10.14124   -1077.7805   -1067.6392 
+   49150        4.915  0.076459032    983.16555    314.29119   -18.382926    10.115706   -1077.7549   -1067.6392 
+   49200         4.92  0.076459075     965.8709    319.65382   -18.396231    10.288306   -1077.9275   -1067.6392 
+   49250        4.925  0.076459124    962.09918    328.07092   -18.405747    10.559217   -1078.1984   -1067.6392 
+   49300         4.93  0.076459019      986.327    337.01122   -18.409264    10.846968   -1078.4862   -1067.6392 
+   49350        4.935  0.076458927      1004.57    345.36436   -18.407413     11.11582   -1078.7551   -1067.6392 
+   49400         4.94  0.076458977    993.98483    352.63606    -18.40944    11.349865   -1078.9891   -1067.6392 
+   49450        4.945  0.076459082    991.26185    357.60801   -18.416364    11.509891   -1079.1491   -1067.6392 
+   49500         4.95  0.076459093    1024.0819    359.05103   -18.425791    11.556336   -1079.1956   -1067.6392 
+   49550        4.955  0.076458927    1033.8368    356.67554   -18.441932    11.479879   -1079.1191   -1067.6392 
+   49600         4.96  0.076458838    1019.5756    350.49667   -18.455292    11.281007   -1078.9202   -1067.6392 
+   49650        4.965  0.076458925    1015.2811     341.2581    -18.44834    10.983657   -1078.6229   -1067.6392 
+   49700         4.97  0.076458904    1000.5326    331.64361   -18.423481    10.674207   -1078.3134   -1067.6392 
+   49750        4.975  0.076458763    997.47426    325.30523   -18.400499    10.470201   -1078.1094   -1067.6392 
+   49800         4.98  0.076458774    1001.6165     323.8013   -18.387438    10.421796    -1078.061   -1067.6392 
+   49850        4.985  0.076458923    1003.6919    325.43465   -18.371483    10.474367   -1078.1136   -1067.6392 
+   49900         4.99  0.076458997    1014.0371    327.90126   -18.352198    10.553757    -1078.193   -1067.6392 
+   49950        4.995  0.076458983    1024.0345    329.92754   -18.340929    10.618974   -1078.2582   -1067.6392 
+   50000            5  0.076458894    1024.5951    330.62163   -18.327421    10.641314   -1078.2805   -1067.6392 
+Loop time of 104.807 on 4 procs for 50000 steps with 250 atoms
+
+Performance: 4.122 ns/day, 5.823 hours/ns, 477.068 timesteps/s
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 16.436     | 16.633     | 16.862     |   4.5 | 15.87
+Neigh   | 0.16699    | 0.17008    | 0.17166    |   0.4 |  0.16
+Comm    | 4.1416     | 4.3331     | 4.5047     |   7.9 |  4.13
+Output  | 10.767     | 11.845     | 12.706     |  20.7 | 11.30
+Modify  | 70.815     | 71.648     | 72.683     |   8.2 | 68.36
+Other   |            | 0.1775     |            |       |  0.17
+
+Nlocal:    62.5 ave 65 max 60 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Nghost:    757.75 ave 776 max 743 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Neighs:    1932.75 ave 2015 max 1844 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+FullNghs:  3865.5 ave 4024 max 3710 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+
+Total # of neighbors = 15462
+Ave neighs/atom = 61.848
+Neighbor list builds = 612
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:01:45
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1 b/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..ee1e71131e5c215a7239d30ae8b1c011b7eaa36e
--- /dev/null
+++ b/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.1
@@ -0,0 +1,161 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# bcc iron in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.0527296 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  250 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.319 | 7.319 | 7.319 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1            0    -55.58269   -1125.5827    -1122.364 
+      50        0.005           -1            0            0            1            0   -55.581417   -1125.4672    -1122.364 
+     100         0.01           -1            0            0            1            0   -55.577759   -1125.1389    -1122.364 
+     150        0.015           -1            0            0            1            0    -55.57219   -1124.6538    -1122.364 
+     200         0.02           -1            0            0            1            0   -55.565438    -1124.099    -1122.364 
+     250        0.025           -1            0            0            1            0   -55.558379   -1123.5779    -1122.364 
+     300         0.03           -1            0            0            1            0   -55.551886   -1123.1862    -1122.364 
+     350        0.035           -1            0            0            1            0   -55.546675   -1122.9858    -1122.364 
+     400         0.04           -1            0            0            1            0   -55.543187   -1122.9869    -1122.364 
+     450        0.045           -1            0            0            1            0    -55.54154   -1123.1498    -1122.364 
+     500         0.05           -1            0            0            1            0   -55.541574   -1123.4037    -1122.364 
+     550        0.055           -1            0            0            1            0   -55.542941    -1123.672    -1122.364 
+     600         0.06           -1            0            0            1            0   -55.545209   -1123.8931    -1122.364 
+     650        0.065           -1            0            0            1            0   -55.547951   -1124.0315    -1122.364 
+     700         0.07           -1            0            0            1            0   -55.550801   -1124.0798    -1122.364 
+     750        0.075           -1            0            0            1            0   -55.553483   -1124.0546    -1122.364 
+     800         0.08           -1            0            0            1            0   -55.555816   -1123.9877    -1122.364 
+     850        0.085           -1            0            0            1            0   -55.557706    -1123.916    -1122.364 
+     900         0.09           -1            0            0            1            0    -55.55913   -1123.8714    -1122.364 
+     950        0.095           -1            0            0            1            0   -55.560111   -1123.8726    -1122.364 
+    1000          0.1           -1            0            0            1            0   -55.560705   -1123.9215    -1122.364 
+    1050        0.105           -1            0            0            1            0   -55.560979   -1124.0049    -1122.364 
+    1100         0.11           -1            0            0            1            0   -55.561005   -1124.0998    -1122.364 
+    1150        0.115           -1            0            0            1            0   -55.560847   -1124.1802    -1122.364 
+    1200         0.12           -1            0            0            1            0   -55.560562   -1124.2247    -1122.364 
+    1250        0.125           -1            0            0            1            0   -55.560199   -1124.2224    -1122.364 
+    1300         0.13           -1            0            0            1            0   -55.559804   -1124.1752    -1122.364 
+    1350        0.135           -1            0            0            1            0   -55.559416   -1124.0977    -1122.364 
+    1400         0.14           -1            0            0            1            0   -55.559073   -1124.0124    -1122.364 
+    1450        0.145           -1            0            0            1            0   -55.558803   -1123.9437    -1122.364 
+    1500         0.15           -1            0            0            1            0   -55.558617   -1123.9107    -1122.364 
+    1550        0.155           -1            0            0            1            0   -55.558503   -1123.9224    -1122.364 
+    1600         0.16           -1            0            0            1            0   -55.558425   -1123.9749    -1122.364 
+    1650        0.165           -1            0            0            1            0   -55.558323   -1124.0529    -1122.364 
+    1700         0.17           -1            0            0            1            0   -55.558122   -1124.1331    -1122.364 
+    1750        0.175           -1            0            0            1            0   -55.557751   -1124.1899    -1122.364 
+    1800         0.18           -1            0            0            1            0   -55.557157   -1124.2023    -1122.364 
+    1850        0.185           -1            0            0            1            0   -55.556326   -1124.1592    -1122.364 
+    1900         0.19           -1            0            0            1            0   -55.555301   -1124.0633    -1122.364 
+    1950        0.195           -1            0            0            1            0   -55.554178   -1123.9313    -1122.364 
+    2000          0.2           -1            0            0            1            0   -55.553099   -1123.7904    -1122.364 
+Loop time of 254.052 on 1 procs for 2000 steps with 250 atoms
+
+Performance: 0.068 ns/day, 352.850 hours/ns, 7.872 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 60.584     | 60.584     | 60.584     |   0.0 | 23.85
+Neigh   | 0.34793    | 0.34793    | 0.34793    |   0.0 |  0.14
+Comm    | 1.9994     | 1.9994     | 1.9994     |   0.0 |  0.79
+Output  | 126.24     | 126.24     | 126.24     |   0.0 | 49.69
+Modify  | 64.475     | 64.475     | 64.475     |   0.0 | 25.38
+Other   |            | 0.4024     |            |       |  0.16
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1419 ave 1419 max 1419 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    7878 ave 7878 max 7878 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  15756 ave 15756 max 15756 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 15756
+Ave neighs/atom = 63.024
+Neighbor list builds = 12
+Dangerous builds = 0
+# min_style 	spin
+# min_modify	alpha_damp 1.0 discrete_factor 10
+# minimize 	1.0e-16 1.0e-16 10000 10000
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:04:16
diff --git a/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4 b/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..677805d26a604126d3fc5c3b1030091bc7eb06c3
--- /dev/null
+++ b/examples/SPIN/iron/log.30Apr19.spin.iron_cubic.g++.4
@@ -0,0 +1,161 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# bcc iron in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	bcc 2.8665
+Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 250 atoms
+  create_atoms CPU = 0.000627756 secs
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin 2.2 -1.0 0.0 0.0
+  250 settings made for spin
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 3.5
+pair_coeff 	* * eam/alloy Fe_Mishin2006.eam.alloy Fe
+pair_coeff 	* * spin/exchange exchange 3.4 0.02726 0.2171 1.841
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic 0.001 0.0005 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
+
+run 		2000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77337
+  ghost atom cutoff = 5.77337
+  binsize = 2.88668, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.265 | 7.265 | 7.265 Mbytes
+Step Time v_magx v_magy v_magz v_magnorm v_tmag v_emag PotEng TotEng 
+       0            0           -1            0            0            1            0    -55.58269   -1125.5827    -1122.364 
+      50        0.005           -1            0            0            1            0   -55.581457   -1125.4635    -1122.364 
+     100         0.01           -1            0            0            1            0   -55.577922   -1125.1262    -1122.364 
+     150        0.015           -1            0            0            1            0   -55.572562   -1124.6305    -1122.364 
+     200         0.02           -1            0            0            1            0   -55.566098    -1124.067    -1122.364 
+     250        0.025           -1            0            0            1            0   -55.559384   -1123.5412    -1122.364 
+     300         0.03           -1            0            0            1            0   -55.553261   -1123.1491    -1122.364 
+     350        0.035           -1            0            0            1            0   -55.548413   -1122.9526    -1122.364 
+     400         0.04           -1            0            0            1            0   -55.545248   -1122.9623    -1122.364 
+     450        0.045           -1            0            0            1            0    -55.54387   -1123.1395    -1122.364 
+     500         0.05           -1            0            0            1            0   -55.544101   -1123.4126    -1122.364 
+     550        0.055           -1            0            0            1            0    -55.54558   -1123.7021    -1122.364 
+     600         0.06           -1            0            0            1            0   -55.547857   -1123.9414    -1122.364 
+     650        0.065           -1            0            0            1            0   -55.550495   -1124.0897    -1122.364 
+     700         0.07           -1            0            0            1            0   -55.553127    -1124.136    -1122.364 
+     750        0.075           -1            0            0            1            0   -55.555497   -1124.0961    -1122.364 
+     800         0.08           -1            0            0            1            0   -55.557466   -1124.0053    -1122.364 
+     850        0.085           -1            0            0            1            0   -55.559001   -1123.9069    -1122.364 
+     900         0.09           -1            0            0            1            0   -55.560147   -1123.8404    -1122.364 
+     950        0.095           -1            0            0            1            0   -55.560992   -1123.8312    -1122.364 
+    1000          0.1           -1            0            0            1            0   -55.561635   -1123.8853    -1122.364 
+    1050        0.105           -1            0            0            1            0   -55.562156   -1123.9898    -1122.364 
+    1100         0.11           -1            0            0            1            0   -55.562594   -1124.1174    -1122.364 
+    1150        0.115           -1            0            0            1            0   -55.562944   -1124.2349    -1122.364 
+    1200         0.12           -1            0            0            1            0   -55.563163   -1124.3115    -1122.364 
+    1250        0.125           -1            0            0            1            0   -55.563193   -1124.3273    -1122.364 
+    1300         0.13           -1            0            0            1            0   -55.562982   -1124.2776    -1122.364 
+    1350        0.135           -1            0            0            1            0   -55.562513   -1124.1744    -1122.364 
+    1400         0.14           -1            0            0            1            0   -55.561812   -1124.0433    -1122.364 
+    1450        0.145           -1            0            0            1            0   -55.560956   -1123.9169    -1122.364 
+    1500         0.15           -1            0            0            1            0   -55.560057   -1123.8268    -1122.364 
+    1550        0.155           -1            0            0            1            0   -55.559235   -1123.7951    -1122.364 
+    1600         0.16           -1            0            0            1            0    -55.55859   -1123.8282    -1122.364 
+    1650        0.165           -1            0            0            1            0   -55.558174   -1123.9155    -1122.364 
+    1700         0.17           -1            0            0            1            0   -55.557974   -1124.0311    -1122.364 
+    1750        0.175           -1            0            0            1            0   -55.557913   -1124.1409    -1122.364 
+    1800         0.18           -1            0            0            1            0    -55.55788    -1124.212    -1122.364 
+    1850        0.185           -1            0            0            1            0   -55.557753   -1124.2208    -1122.364 
+    1900         0.19           -1            0            0            1            0   -55.557448   -1124.1596    -1122.364 
+    1950        0.195           -1            0            0            1            0   -55.556942   -1124.0384    -1122.364 
+    2000          0.2           -1            0            0            1            0   -55.556288    -1123.883    -1122.364 
+Loop time of 4.39485 on 4 procs for 2000 steps with 250 atoms
+
+Performance: 3.932 ns/day, 6.104 hours/ns, 455.078 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.64527    | 0.6695     | 0.71114    |   3.3 | 15.23
+Neigh   | 0.0032711  | 0.0034365  | 0.0036387  |   0.3 |  0.08
+Comm    | 0.14872    | 0.19108    | 0.21485    |   6.1 |  4.35
+Output  | 0.40622    | 0.43119    | 0.45149    |   2.5 |  9.81
+Modify  | 3.0688     | 3.0921     | 3.1179     |   1.0 | 70.36
+Other   |            | 0.007548   |            |       |  0.17
+
+Nlocal:    62.5 ave 67 max 57 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+Nghost:    850.5 ave 856 max 847 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Neighs:    1968.75 ave 2101 max 1792 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+FullNghs:  3937.5 ave 4217 max 3583 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+
+Total # of neighbors = 15750
+Ave neighs/atom = 63
+Neighbor list builds = 12
+Dangerous builds = 0
+# min_style 	spin
+# min_modify	alpha_damp 1.0 discrete_factor 10
+# minimize 	1.0e-16 1.0e-16 10000 10000
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/SPIN/nickel/in.spin.nickel_cubic b/examples/SPIN/nickel/in.spin.nickel_cubic
new file mode 100644
index 0000000000000000000000000000000000000000..3c97b284ae88d2d5b9e8a1eadbbf9cb487cde692
--- /dev/null
+++ b/examples/SPIN/nickel/in.spin.nickel_cubic
@@ -0,0 +1,60 @@
+# fcc nickel in a 3d periodic box
+
+clear 
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	fcc 3.524
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass		1 58.69
+
+set 		group all spin/random 31 0.63
+#set 		group all spin 0.63 0.0 0.0 1.0 
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
+pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic -0.0001 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 &
+				      zeeman 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run 		2000
+
diff --git a/examples/SPIN/nickel/log.11May18.spin.nickel.g++.1 b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1
similarity index 89%
rename from examples/SPIN/nickel/log.11May18.spin.nickel.g++.1
rename to examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1
index 82f54f4e6b208c946edb445c6ec57b5780912802..8d7284f5e2188cd8c842c7307a1c31393b3f5072 100644
--- a/examples/SPIN/nickel/log.11May18.spin.nickel.g++.1
+++ b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.1
@@ -1,7 +1,9 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
 # fcc nickel in a 3d periodic box
 
 clear
+  using 1 OpenMP thread(s) per MPI task
 units 		metal
 atom_style 	spin
 
@@ -19,7 +21,7 @@ Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
   1 by 1 by 1 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  Time spent = 0.000804186 secs
+  create_atoms CPU = 0.000835896 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -45,7 +47,7 @@ timestep	0.0001
 
 # compute and output options
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -122,20 +124,20 @@ Step Time v_magnorm v_emag Temp v_tmag TotEng
     1900         0.19  0.028733796   -28.785208    228.39889     316.9972   -2218.1018 
     1950        0.195  0.028733826     -28.9724    228.84666     309.8027   -2218.1018 
     2000          0.2   0.02873386   -29.175039      228.918    297.88519   -2218.1018 
-Loop time of 10.033 on 1 procs for 2000 steps with 500 atoms
+Loop time of 15.9256 on 1 procs for 2000 steps with 500 atoms
 
-Performance: 1.722 ns/day, 13.935 hours/ns, 199.342 timesteps/s
-99.4% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.085 ns/day, 22.119 hours/ns, 125.584 timesteps/s
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.909      | 3.909      | 3.909      |   0.0 | 38.96
-Neigh   | 0.031031   | 0.031031   | 0.031031   |   0.0 |  0.31
-Comm    | 0.046559   | 0.046559   | 0.046559   |   0.0 |  0.46
-Output  | 2.4087     | 2.4087     | 2.4087     |   0.0 | 24.01
-Modify  | 3.625      | 3.625      | 3.625      |   0.0 | 36.13
-Other   |            | 0.01268    |            |       |  0.13
+Pair    | 5.8677     | 5.8677     | 5.8677     |   0.0 | 36.84
+Neigh   | 0.051965   | 0.051965   | 0.051965   |   0.0 |  0.33
+Comm    | 0.088829   | 0.088829   | 0.088829   |   0.0 |  0.56
+Output  | 4.7019     | 4.7019     | 4.7019     |   0.0 | 29.52
+Modify  | 5.199      | 5.199      | 5.199      |   0.0 | 32.65
+Other   |            | 0.01632    |            |       |  0.10
 
 Nlocal:    500 ave 500 max 500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -154,4 +156,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:10
+Total wall time: 0:00:16
diff --git a/examples/SPIN/nickel/log.11May18.spin.nickel.g++.4 b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4
similarity index 89%
rename from examples/SPIN/nickel/log.11May18.spin.nickel.g++.4
rename to examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4
index 373271459f2e68ede27cbd9b7fa635bc089c917f..a186253db3523eaeea735825ca2794a0feafd3c4 100644
--- a/examples/SPIN/nickel/log.11May18.spin.nickel.g++.4
+++ b/examples/SPIN/nickel/log.30Apr19.spin.nickel.g++.4
@@ -1,7 +1,9 @@
-LAMMPS (11 May 2018)
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
 # fcc nickel in a 3d periodic box
 
 clear
+  using 1 OpenMP thread(s) per MPI task
 units 		metal
 atom_style 	spin
 
@@ -19,7 +21,7 @@ Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
   1 by 2 by 2 MPI processor grid
 create_atoms 	1 box
 Created 500 atoms
-  Time spent = 0.000523567 secs
+  create_atoms CPU = 0.000492096 secs
 
 # setting mass, mag. moments, and interactions for cobalt
 
@@ -45,7 +47,7 @@ timestep	0.0001
 
 # compute and output options
 
-compute 	out_mag    all compute/spin
+compute 	out_mag    all spin
 compute 	out_pe     all pe
 compute 	out_ke     all ke
 compute 	out_temp   all temp
@@ -122,20 +124,20 @@ Step Time v_magnorm v_emag Temp v_tmag TotEng
     1900         0.19  0.028733864   -27.967999    220.53947     322.9504   -2218.1018 
     1950        0.195  0.028733863   -28.173041    221.61407    318.63401   -2218.1018 
     2000          0.2  0.028733853   -28.362177    224.22281    310.55185   -2218.1018 
-Loop time of 3.95094 on 4 procs for 2000 steps with 500 atoms
+Loop time of 7.69012 on 4 procs for 2000 steps with 500 atoms
 
-Performance: 4.374 ns/day, 5.487 hours/ns, 506.208 timesteps/s
-98.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2.247 ns/day, 10.681 hours/ns, 260.074 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.0289     | 1.0467     | 1.0811     |   2.0 | 26.49
-Neigh   | 0.0079527  | 0.0081946  | 0.0084369  |   0.2 |  0.21
-Comm    | 0.094456   | 0.13311    | 0.15138    |   6.2 |  3.37
-Output  | 0.69702    | 0.71998    | 0.74483    |   2.1 | 18.22
-Modify  | 2.0107     | 2.0383     | 2.0598     |   1.3 | 51.59
-Other   |            | 0.004668   |            |       |  0.12
+Pair    | 1.5623     | 1.5999     | 1.6541     |   2.7 | 20.80
+Neigh   | 0.012559   | 0.013043   | 0.013682   |   0.4 |  0.17
+Comm    | 0.1843     | 0.24254    | 0.27935    |   7.2 |  3.15
+Output  | 1.4749     | 1.5228     | 1.5694     |   2.9 | 19.80
+Modify  | 4.2492     | 4.3019     | 4.3507     |   1.8 | 55.94
+Other   |            | 0.009925   |            |       |  0.13
 
 Nlocal:    125 ave 132 max 120 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
@@ -154,4 +156,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:04
+Total wall time: 0:00:07
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1 b/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..425572dedf1ada1e7a3b7364315c9e3c4a11e3a8
--- /dev/null
+++ b/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.1
@@ -0,0 +1,160 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# fcc nickel in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	fcc 3.524
+Lattice spacing in x,y,z = 3.524 3.524 3.524
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
+  1 by 1 by 1 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.00068903 secs
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass		1 58.69
+
+set 		group all spin/random 31 0.63
+  500 settings made for spin/random
+#set 		group all spin 0.63 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
+pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic -0.0001 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 				      zeeman 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run 		2000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.90375
+  ghost atom cutoff = 5.90375
+  binsize = 2.95187, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.384 | 7.384 | 7.384 Mbytes
+Step Time v_magnorm v_emag Temp v_tmag TotEng 
+       0            0  0.028733803     0.455085    100.03408    -8603.706   -2218.0905 
+      50        0.005  0.028732021   0.11535308    101.47887   -34407.888   -2218.0904 
+     100         0.01    0.0287304    -0.665283    101.73105    6238.4535     -2218.09 
+     150        0.015  0.028729403   -1.8105707    99.629794    2452.7607   -2218.0896 
+     200         0.02  0.028731067    -3.224763    94.849715    1501.8625   -2218.0895 
+     250        0.025  0.028732765   -4.8207784    88.447019    1110.3291   -2218.0895 
+     300         0.03  0.028728169   -6.5331538    82.697813     905.2202   -2218.0896 
+     350        0.035   0.02871707   -8.3059526    80.122838    772.40218   -2218.0896 
+     400         0.04  0.028706605   -10.077613    82.389555    672.72236   -2218.0895 
+     450        0.045  0.028701727    -11.78634    89.823176    595.82956   -2218.0894 
+     500         0.05  0.028706691   -13.380919    101.39804    536.65866   -2218.0894 
+     550        0.055  0.028714065   -14.824128    115.07511    491.25787   -2218.0893 
+     600         0.06  0.028713691   -16.093505    128.58093    459.82107    -2218.089 
+     650        0.065  0.028713232   -17.181217    140.22137    441.15183    -2218.089 
+     700         0.07   0.02871245   -18.113035    149.60156    426.80154   -2218.0889 
+     750        0.075  0.028712431   -18.954952    157.56849    413.61924   -2218.0891 
+     800         0.08   0.02872489   -19.762756    164.91833    408.49483   -2218.0892 
+     850        0.085  0.028733709   -20.538757    171.69348    407.47868   -2218.0894 
+     900         0.09  0.028737031   -21.256095    177.71981    400.24086   -2218.0894 
+     950        0.095  0.028743446   -21.908156    183.31613    390.46773    -2218.089 
+    1000          0.1  0.028751809   -22.516179    189.01672    383.80802   -2218.0888 
+    1050        0.105  0.028761625   -23.084057    194.48882    376.54433    -2218.089 
+    1100         0.11  0.028768138   -23.565036    198.12295    366.13309   -2218.0891 
+    1150        0.115  0.028770301   -23.937136    198.95102    354.82763    -2218.089 
+    1200         0.12  0.028771334   -24.273509    198.31348    347.20512   -2218.0891 
+    1250        0.125  0.028769662   -24.672789    198.26173    344.02095   -2218.0889 
+    1300         0.13  0.028774175    -25.13917    199.48259    337.81596   -2218.0889 
+    1350        0.135  0.028795936   -25.594094    201.33509      329.891   -2218.0889 
+    1400         0.14  0.028824328   -25.978285     203.4984    328.81092   -2218.0886 
+    1450        0.145  0.028846467   -26.299501    206.52931    328.61151   -2218.0886 
+    1500         0.15  0.028858261   -26.605847    211.09044    324.29045   -2218.0888 
+    1550        0.155  0.028852825    -26.92321    216.70656    317.24339   -2218.0888 
+    1600         0.16   0.02885238   -27.232535    221.73117    312.50182   -2218.0888 
+    1650        0.165  0.028857985   -27.513725    224.82466    312.32346   -2218.0887 
+    1700         0.17  0.028863985   -27.764471    225.85697    312.80779   -2218.0887 
+    1750        0.175  0.028868714   -27.983273    225.71411    315.37238   -2218.0888 
+    1800         0.18  0.028871144   -28.187572    225.78979    319.44034   -2218.0888 
+    1850        0.185  0.028865191   -28.395615     226.7477    321.25107   -2218.0889 
+    1900         0.19  0.028855316   -28.597095    227.90237    319.98739   -2218.0889 
+    1950        0.195  0.028853072    -28.79277    228.54008    313.04557   -2218.0886 
+    2000          0.2  0.028855814   -29.015073     228.8643    300.40018   -2218.0885 
+Loop time of 16.5858 on 1 procs for 2000 steps with 500 atoms
+
+Performance: 1.042 ns/day, 23.036 hours/ns, 120.585 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.8835     | 5.8835     | 5.8835     |   0.0 | 35.47
+Neigh   | 0.05244    | 0.05244    | 0.05244    |   0.0 |  0.32
+Comm    | 0.092997   | 0.092997   | 0.092997   |   0.0 |  0.56
+Output  | 5.213      | 5.213      | 5.213      |   0.0 | 31.43
+Modify  | 5.3275     | 5.3275     | 5.3275     |   0.0 | 32.12
+Other   |            | 0.01636    |            |       |  0.10
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1956 ave 1956 max 1956 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    19507 ave 19507 max 19507 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  39014 ave 39014 max 39014 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 39014
+Ave neighs/atom = 78.028
+Neighbor list builds = 21
+Dangerous builds = 0
+
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:16
diff --git a/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4 b/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..fd9ce8053301ccacb7b08a1a1b5b55a39217b673
--- /dev/null
+++ b/examples/SPIN/nickel/log.30Apr19.spin.nickel_cubic.g++.4
@@ -0,0 +1,160 @@
+LAMMPS (30 Apr 2019)
+  using 1 OpenMP thread(s) per MPI task
+# fcc nickel in a 3d periodic box
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+units 		metal
+atom_style 	spin
+
+dimension 	3
+boundary 	p p p
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array
+
+lattice 	fcc 3.524
+Lattice spacing in x,y,z = 3.524 3.524 3.524
+region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
+create_box 	1 box
+Created orthogonal box = (0 0 0) to (17.62 17.62 17.62)
+  1 by 2 by 2 MPI processor grid
+create_atoms 	1 box
+Created 500 atoms
+  create_atoms CPU = 0.000639439 secs
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass		1 58.69
+
+set 		group all spin/random 31 0.63
+  500 settings made for spin/random
+#set 		group all spin 0.63 0.0 0.0 1.0
+velocity 	all create 100 4928459 rot yes dist gaussian
+
+pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
+pair_coeff 	* * eam/alloy Ni99.eam.alloy Ni
+pair_coeff 	* * spin/exchange exchange 4.0 0.50 0.2280246862 1.229983475
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin cubic -0.0001 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 				      zeeman 0.0 0.0 0.0 1.0
+fix_modify 	1 energy yes
+fix 		2 all langevin/spin 0.0 0.0 21
+
+fix 		3 all nve/spin lattice yes
+timestep	0.0001
+
+# compute and output options
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo_style    custom step time v_magnorm v_emag temp v_tmag etotal
+thermo          50
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		50 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+run 		2000
+Neighbor list info ...
+  update every 10 steps, delay 20 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.90375
+  ghost atom cutoff = 5.90375
+  binsize = 2.95187, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair eam/alloy, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (2) pair spin/exchange, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.298 | 7.298 | 7.298 Mbytes
+Step Time v_magnorm v_emag Temp v_tmag TotEng 
+       0            0  0.028733803     0.455085    100.03408    -8603.706   -2218.0905 
+      50        0.005  0.028732088    0.2980989     98.74184   -13360.862   -2218.0904 
+     100         0.01   0.02873076  -0.32911738    97.074246    12749.405     -2218.09 
+     150        0.015  0.028730298   -1.3537059    94.073558    3353.8731   -2218.0897 
+     200         0.02  0.028733079   -2.6807428    89.419616    1868.0661   -2218.0895 
+     250        0.025  0.028735725   -4.2256641    84.074249    1317.4563   -2218.0893 
+     300         0.03  0.028728939   -5.9209085    80.063263    1033.1632   -2218.0893 
+     350        0.035  0.028716731   -7.6957087     79.36782     849.1925   -2218.0893 
+     400         0.04   0.02871114   -9.4720832    83.055773    718.36408   -2218.0893 
+     450        0.045   0.02870879    -11.19254     91.28713    624.04151   -2218.0891 
+     500         0.05  0.028708873   -12.832707    103.50343    551.85983   -2218.0892 
+     550        0.055  0.028710315   -14.370603    118.16778    497.19527   -2218.0893 
+     600         0.06  0.028707016   -15.769641    132.83264    462.57721    -2218.089 
+     650        0.065  0.028706727   -17.018362    145.39247    445.40608   -2218.0888 
+     700         0.07  0.028710482   -18.137792    154.80131    439.71677   -2218.0889 
+     750        0.075  0.028705169   -19.130471    160.53663    437.67621   -2218.0892 
+     800         0.08  0.028695336   -19.988452    162.95918    430.42912    -2218.089 
+     850        0.085  0.028688393   -20.758389    164.33238    420.42991   -2218.0889 
+     900         0.09  0.028684101   -21.521505    167.76167    412.29955    -2218.089 
+     950        0.095  0.028684705   -22.314351      174.918    403.31757   -2218.0891 
+    1000          0.1  0.028691284   -23.080026    184.60192      391.677   -2218.0893 
+    1050        0.105  0.028687846   -23.714845    193.76312    379.81345   -2218.0893 
+    1100         0.11  0.028682371   -24.191738    200.43041    372.65414   -2218.0893 
+    1150        0.115  0.028684765   -24.569816    204.39323    368.53291   -2218.0891 
+    1200         0.12  0.028678139   -24.892093      205.879    364.46365   -2218.0892 
+    1250        0.125  0.028669738   -25.160227    205.09197    361.98015   -2218.0893 
+    1300         0.13  0.028666626   -25.367813    202.69136    360.10649   -2218.0891 
+    1350        0.135  0.028665511   -25.520784    199.79027    359.68033   -2218.0892 
+    1400         0.14   0.02866749   -25.655936    197.91217      361.218   -2218.0892 
+    1450        0.145  0.028666916    -25.80086     198.1933     361.5167   -2218.0889 
+    1500         0.15  0.028660248   -25.953194     200.8243     356.0167    -2218.089 
+    1550        0.155  0.028641778   -26.137444    205.80307    349.94961   -2218.0887 
+    1600         0.16  0.028626894   -26.393372     212.6879    347.30341   -2218.0888 
+    1650        0.165  0.028619835   -26.707923    219.63834    340.80511   -2218.0885 
+    1700         0.17  0.028615681   -27.023214    224.25635    329.60947   -2218.0882 
+    1750        0.175   0.02861597   -27.301445    225.47908    321.35253   -2218.0884 
+    1800         0.18  0.028614544    -27.53764    224.03527    320.92639   -2218.0884 
+    1850        0.185   0.02860894   -27.741581    221.74286    323.07034   -2218.0884 
+    1900         0.19  0.028604135   -27.943034      220.659    322.60989   -2218.0884 
+    1950        0.195  0.028602672   -28.160901    221.85908     318.8957   -2218.0885 
+    2000          0.2  0.028597155   -28.365986    224.55298    311.53587   -2218.0886 
+Loop time of 7.21663 on 4 procs for 2000 steps with 500 atoms
+
+Performance: 2.394 ns/day, 10.023 hours/ns, 277.138 timesteps/s
+98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.6337     | 1.6726     | 1.7259     |   2.7 | 23.18
+Neigh   | 0.013023   | 0.01361    | 0.014188   |   0.4 |  0.19
+Comm    | 0.19005    | 0.24933    | 0.2905     |   7.5 |  3.45
+Output  | 1.4595     | 1.5171     | 1.5725     |   3.4 | 21.02
+Modify  | 3.6943     | 3.7537     | 3.8093     |   2.3 | 52.01
+Other   |            | 0.01025    |            |       |  0.14
+
+Nlocal:    125 ave 132 max 121 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+Nghost:    1099 ave 1103 max 1092 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+Neighs:    4877 ave 5097 max 4747 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+FullNghs:  9754 ave 10298 max 9440 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 39016
+Ave neighs/atom = 78.032
+Neighbor list builds = 21
+Dangerous builds = 0
+
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:07
diff --git a/examples/SPIN/read_restart/in.spin.read_data b/examples/SPIN/read_restart/in.spin.read_data
index 17343994b57bb775cf5a654f238c41a86c27da49..a4504216990d1850bd2ef65eb9e769a6c1613f9d 100644
--- a/examples/SPIN/read_restart/in.spin.read_data
+++ b/examples/SPIN/read_restart/in.spin.read_data
@@ -40,6 +40,6 @@ thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
 thermo_modify   format float %20.15g
 
 compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
-dump 		10 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+dump 		1 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
 
 run 		100
diff --git a/examples/SPIN/setforce_spin/in.spinmin.setforce b/examples/SPIN/setforce_spin/in.spinmin.setforce
new file mode 100644
index 0000000000000000000000000000000000000000..10d4df66edd8968e79d831ad5bc4cd2a05a54232
--- /dev/null
+++ b/examples/SPIN/setforce_spin/in.spinmin.setforce
@@ -0,0 +1,59 @@
+
+units 		metal
+dimension 	3
+boundary 	f f f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	sc 3.0
+region 		box block 0.0 10.0 0.0 10.0 0.0 1.0
+create_box 	2 box
+region		reg1 block 0.0 10.0 	0.0 5.0 	0.0 1.0
+region		reg2 block 0.0 10.0 	6.0 10.0 	0.0 1.0
+create_atoms 	1 region reg1 
+create_atoms 	2 region reg2
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+mass		2 55.845
+set 		region reg1 spin 2.2 0.0 0.0 1.0
+set 		region reg2 spin/random 31 2.2
+
+group 		fixed_spin region reg1
+
+pair_style 	hybrid/overlay spin/exchange 3.1 spin/dmi 3.1
+pair_coeff 	* * spin/exchange exchange 3.1 -0.01593 0.06626915552 1.211
+pair_coeff	* * spin/dmi dmi 3.1 0.12e-03 0.0 0.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 5e-05 0.0 0.0 1.0 
+fix_modify	1 energy yes
+fix 		2 fixed_spin setforce/spin 0.0 0.0 0.0
+fix 		3 all langevin/spin 0.0 0.1 21
+fix		4 all nve/spin lattice no 
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          1000
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 1000 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 20.0
+minimize        1.0e-16 1.0e-16 50000 1000
diff --git a/examples/SPIN/spinmin/in.spinmin.bfo b/examples/SPIN/spinmin/in.spinmin.bfo
new file mode 100644
index 0000000000000000000000000000000000000000..5ebc9e0afe350a7717ac965c443ce79d4782367f
--- /dev/null
+++ b/examples/SPIN/spinmin/in.spinmin.bfo
@@ -0,0 +1,55 @@
+# bfo in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	sc 3.96
+region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 1.0
+set 		group all spin/random 11 2.50
+
+pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
+pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
+#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
+pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
+pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0 
+fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          50
+thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 0.0 1000 100
diff --git a/examples/SPIN/spinmin/in.spinmin.iron b/examples/SPIN/spinmin/in.spinmin.iron
new file mode 100644
index 0000000000000000000000000000000000000000..ebbd229b892f9a1514f75242f9c21748dc2a32a2
--- /dev/null
+++ b/examples/SPIN/spinmin/in.spinmin.iron
@@ -0,0 +1,55 @@
+# bcc iron in a 3d periodic box
+
+units 		metal
+dimension 	3
+boundary 	p p f
+atom_style 	spin
+
+# necessary for the serial algorithm (sametag)
+atom_modify 	map array 
+
+lattice 	bcc 2.8665
+region 		box block 0.0 4.0 0.0 4.0 0.0 4.0
+create_box 	1 box
+create_atoms 	1 box
+
+# setting mass, mag. moments, and interactions for bcc iron
+
+mass		1 55.845
+set 		group all spin/random 31 2.2
+#set 		group all spin 2.2 1.0 1.0 -1.0
+
+pair_style 	spin/exchange 3.5
+pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841
+
+neighbor 	0.1 bin
+neigh_modify 	every 10 check yes delay 20
+
+#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0 
+fix 		1 all precession/spin anisotropy 0.0001 0.0 0.0 1.0
+fix_modify	1 energy yes
+
+timestep	0.0001
+
+compute 	out_mag    all spin
+compute 	out_pe     all pe
+compute 	out_ke     all ke
+compute 	out_temp   all temp
+
+variable 	magx      equal c_out_mag[1]
+variable 	magy      equal c_out_mag[2]
+variable 	magz      equal c_out_mag[3]
+variable 	magnorm   equal c_out_mag[4]
+variable 	emag      equal c_out_mag[5]
+variable 	tmag      equal c_out_mag[6]
+
+thermo          100
+thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
+thermo_modify   format float %20.15g
+
+compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
+dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]
+
+min_style	spin
+min_modify 	alpha_damp 1.0 discrete_factor 10.0
+minimize        1.0e-10 1.0e-10 100000 1000
diff --git a/examples/USER/adios/adios2_config.xml b/examples/USER/adios/adios2_config.xml
new file mode 100644
index 0000000000000000000000000000000000000000..4b9cd9b9b503c3ea85d285f8b26d74aecec3042f
--- /dev/null
+++ b/examples/USER/adios/adios2_config.xml
@@ -0,0 +1,41 @@
+<?xml version="1.0"?>
+<adios-config>
+
+    <!-- example engines 
+
+        <engine type="BPFile">
+            <parameter key="substreams" value="10"/>
+        </engine>
+
+        <engine type="HDF5">
+
+
+        The 'substreams' parameter in BPFile controls how many 
+        files on disk are created. This number should be proportional 
+        to the number of servers in the parallel file system, 
+        NOT to the number of processes. 
+        substreams=1 is generally a very inefficient setting for large parallel runs.
+    -->
+
+    <!--====================================================
+           Configuration for the dump atom/adios command
+        ====================================================-->
+
+    <io name="atom">
+        <engine type="BPFile">
+            <parameter key="substreams" value="1"/>
+        </engine>
+    </io>
+
+    <!--====================================================
+           Configuration for the dump custom/adios command
+        ====================================================-->
+
+    <io name="custom">
+        <engine type="BPFile">
+            <parameter key="substreams" value="1"/>
+        </engine>
+    </io>
+
+
+</adios-config>
diff --git a/examples/USER/adios/in.adios_balance b/examples/USER/adios/in.adios_balance
new file mode 100644
index 0000000000000000000000000000000000000000..d89ae52b41b44ce6902a53f2f54cbd12a7c6c9cc
--- /dev/null
+++ b/examples/USER/adios/in.adios_balance
@@ -0,0 +1,57 @@
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+                
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+region		box block 0 $x 0 $y -0.5 0.5
+create_box	1 box
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+create_atoms	1 region circle
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+compute         1 all property/atom proc
+variable        p atom c_1%10
+dump            2 all custom 50 balance.dump id v_p x y z
+dump            3 all custom/adios 50 balance_custom.bp id v_p x y z
+dump            4 all atom/adios 50 balance_atom.bp 
+
+#dump            3 all image 50 image.*.jpg v_p type &
+#                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string &
+#                "red green blue yellow white &
+#                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100                
+
+run		200
+write_dump      all atom/adios balance_atom_final.bp 
diff --git a/examples/USER/adios/log.balance b/examples/USER/adios/log.balance
new file mode 100644
index 0000000000000000000000000000000000000000..162ecf7741e82c974f4c67e1c8467475d6a2045a
--- /dev/null
+++ b/examples/USER/adios/log.balance
@@ -0,0 +1,114 @@
+LAMMPS (4 Jan 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.00171804 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+compute         1 all property/atom proc
+variable        p atom c_1%10
+dump            2 all custom 50 balance.dump id v_p x y z
+dump            3 all custom/adios 50 balance_custom.bp id v_p x y z
+dump            4 all atom/adios 50 balance_atom.bp
+
+#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		200
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.926 | 4.933 | 4.944 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
+     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
+     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
+Loop time of 0.0992351 on 4 procs for 200 steps with 361 atoms
+
+Performance: 870660.046 tau/day, 2015.417 timesteps/s
+32.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0078368  | 0.0081607  | 0.0085468  |   0.3 |  8.22
+Neigh   | 0.002804   | 0.0045915  | 0.0092173  |   3.9 |  4.63
+Comm    | 0.044407   | 0.05352    | 0.062051   |   3.0 | 53.93
+Output  | 0.011406   | 0.012025   | 0.01342    |   0.7 | 12.12
+Modify  | 0.006305   | 0.0064294  | 0.0066617  |   0.2 |  6.48
+Other   |            | 0.01451    |            |       | 14.62
+
+Nlocal:    90.25 ave 91 max 90 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    58.25 ave 64 max 51 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    730.75 ave 801 max 671 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 2923
+Ave neighs/atom = 8.09695
+Neighbor list builds = 60
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/e3b/README b/examples/USER/e3b/README
new file mode 100644
index 0000000000000000000000000000000000000000..8ef1a54fa2a1bd8c27abf1694bfd6b3b03df640c
--- /dev/null
+++ b/examples/USER/e3b/README
@@ -0,0 +1,6 @@
+The input script in.lammps simulates bulk water using the 2015 E3B potential.
+
+This script also demonstrates the use of compute pair to calculate the
+potential energy contribution of the e3b pair style. These potential energy
+contributions can be found in the output file e3b.txt. See the LAMMPS
+documentation for more details.
diff --git a/examples/USER/e3b/e3b_box.data b/examples/USER/e3b/e3b_box.data
new file mode 100644
index 0000000000000000000000000000000000000000..a8e586d101fe444b016d27ff9ae8140ac1a6c7d6
--- /dev/null
+++ b/examples/USER/e3b/e3b_box.data
@@ -0,0 +1,1973 @@
+LAMMPS data file via write_data, version 29 Mar 2019, timestep = 39
+
+648 atoms
+2 atom types
+432 bonds
+1 bond types
+216 angles
+1 angle types
+
+-9.3223199999999995e+00 9.3223199999999995e+00 xlo xhi
+-9.3223199999999995e+00 9.3223199999999995e+00 ylo yhi
+-9.3223199999999995e+00 9.3223199999999995e+00 zlo zhi
+
+Masses
+
+1 15.9994
+2 1.008
+
+Atoms # full
+
+4 2 1 -1.1128000000000000e+00 -6.2644497247646571e+00 -8.9277464158309368e+00 -9.2289638586118450e+00 0 0 0
+7 3 1 -1.1128000000000000e+00 -3.4579165298402557e+00 -9.3034804390504036e+00 9.3191750579333963e+00 0 0 -1
+22 8 1 -1.1128000000000000e+00 -6.5784482972256972e+00 -6.0892991832768422e+00 9.2636286576365379e+00 0 0 -1
+24 8 2 5.5640000000000001e-01 -6.2883569860033823e+00 -6.9950268404476086e+00 -9.2706312989165927e+00 0 0 0
+25 9 1 -1.1128000000000000e+00 -3.3071046162069297e+00 -5.9155959538749325e+00 -9.1188397160115429e+00 0 0 0
+27 9 2 5.5640000000000001e-01 -3.2823042762063119e+00 -6.8458680022542051e+00 -8.8946163939947560e+00 0 0 0
+42 14 2 5.5640000000000001e-01 -6.3256322964305269e+00 -3.1196227750426266e+00 -8.5528488303959271e+00 0 0 0
+110 37 2 5.5640000000000001e-01 -8.9998610428778356e+00 -8.6212661373931603e+00 -6.4645003783963153e+00 0 0 0
+112 38 1 -1.1128000000000000e+00 -6.5966491070165834e+00 9.3025413834938782e+00 -6.2217969584742789e+00 0 -1 0
+113 38 2 5.5640000000000001e-01 -5.9817429896518188e+00 -8.8746554430354880e+00 -6.7873958824780498e+00 0 0 0
+115 39 1 -1.1128000000000000e+00 -3.4933004864070534e+00 -9.2643750182275308e+00 -6.1619122531520487e+00 0 0 0
+128 43 2 5.5640000000000001e-01 -8.5037100225273328e+00 -6.0419047338974883e+00 -6.3265593527963118e+00 0 0 0
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+2 1 2 5.5640000000000001e-01 8.7972955722848312e+00 -9.2378758468766513e+00 -8.7984086204259526e+00 -1 0 0
+14 5 2 5.5640000000000001e-01 3.7466973359180367e+00 -8.9163106155747531e+00 -9.1657188119044672e+00 0 0 0
+21 7 2 5.5640000000000001e-01 8.9972080899674456e+00 -5.9021371557055993e+00 -8.5562973976928909e+00 -1 0 0
+32 11 2 5.5640000000000001e-01 3.6352891540671730e+00 -5.6966432937663019e+00 -9.0554776962444965e+00 0 0 0
+36 12 2 5.5640000000000001e-01 6.0929123560663010e+00 -6.7022008366332972e+00 -8.6932575552983327e+00 0 0 0
+37 13 1 -1.1128000000000000e+00 9.0692728702002672e+00 -3.3911324688476294e+00 -9.2750015325317232e+00 -1 0 0
+52 18 1 -1.1128000000000000e+00 5.8504669210326927e+00 -3.2236973306705856e+00 -9.2702467553228995e+00 0 0 0
+109 37 1 -1.1128000000000000e+00 8.9780856818445542e+00 -9.2584640381415610e+00 -6.2077556691417906e+00 -1 0 0
+122 41 2 5.5640000000000001e-01 3.6449043046693150e+00 -8.7143395201122491e+00 -6.2296387201756378e+00 0 0 0
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+127 43 1 -1.1128000000000000e+00 9.1975589777197406e+00 -5.8798980841692936e+00 -6.3430470761016737e+00 -1 0 0
+129 43 2 5.5640000000000001e-01 8.8101199618689900e+00 -6.6819507077426845e+00 -5.9925089338819921e+00 -1 0 0
+140 47 2 5.5640000000000001e-01 3.3725857326232891e+00 -5.4820831250709237e+00 -6.2012188560052435e+00 0 0 0
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+142 48 1 -1.1128000000000000e+00 6.3790194484485978e+00 -6.4859787533602544e+00 -6.3449300617205076e+00 0 0 0
+143 48 2 5.5640000000000001e-01 6.1030090783745434e+00 -6.3556980312817704e+00 -5.4377792122359798e+00 0 0 0
+144 48 2 5.5640000000000001e-01 5.9150594584516005e+00 -5.8084458865186592e+00 -6.8367699143319784e+00 0 0 0
+146 49 2 5.5640000000000001e-01 9.0113938486751710e+00 -3.2359217478311439e+00 -5.4887502555835921e+00 -1 0 0
+147 49 2 5.5640000000000001e-01 9.2258486656951302e+00 -3.3559110445062816e+00 -6.9826139101981619e+00 -1 0 0
+159 53 2 5.5640000000000001e-01 3.5862593106984524e+00 -3.4963791269616911e+00 -6.7212232084812733e+00 0 0 0
+161 54 2 5.5640000000000001e-01 6.9851807324603374e+00 -3.2370188287156982e+00 -6.1511109606105370e+00 0 0 0
+162 54 2 5.5640000000000001e-01 5.4869520042145172e+00 -3.2343056886916797e+00 -5.9335621901732223e+00 0 0 0
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+
+Angles
+
+1 1 5 4 6
+2 1 8 7 9
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+4 1 26 25 27
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+203 1 635 634 636
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+213 1 521 520 522
+214 1 626 625 627
+215 1 644 643 645
+216 1 647 646 648
diff --git a/examples/USER/e3b/in.e3b-tip4p2005 b/examples/USER/e3b/in.e3b-tip4p2005
new file mode 100644
index 0000000000000000000000000000000000000000..ffb03969d28afb44e991721d7062b1138b9d365b
--- /dev/null
+++ b/examples/USER/e3b/in.e3b-tip4p2005
@@ -0,0 +1,95 @@
+#LAMMPS input file
+#to simulate bulk E3B3 water model
+
+#####################################################################
+
+variable	samp_rate 	equal 10
+variable	thermo_rate 	equal 10
+variable	Wlat		equal 3.10744  #for water density 0.997g/mL
+variable        L		equal 3  #(L*2)^3 = Nmolec, L=3 -> N=216
+
+variable	equil		equal 100
+variable	run		equal 100
+
+variable	ts		equal 2.0
+variable	Tdamp		equal 100*${ts}
+variable 	Pdamp		equal 1000*${ts}
+variable	myT		equal 298.0
+variable	myP		equal 1.0
+
+units 		real
+atom_style	full
+
+dimension 	3
+
+boundary 	p p p
+
+#############################################################################
+#setup box
+read_data       e3b_box.data
+
+#############################################################################
+#set up potential
+
+pair_style 	hybrid/overlay e3b 1 lj/cut/tip4p/long 1 2 1 1 0.1546 8.5
+pair_modify 	table 0 table/disp 0 shift yes
+
+bond_style  	harmonic
+angle_style 	harmonic
+
+kspace_style 	pppm/tip4p 1.0e-6
+
+pair_coeff 	* * lj/cut/tip4p/long 0.0 0.0
+pair_coeff	1 1 lj/cut/tip4p/long 0.1852 3.1589
+pair_coeff	* * e3b preset 2015
+
+#potential coeffs aren't too important since will be rigid anyways
+bond_coeff	1 554.13 0.9572
+angle_coeff	1 45.769 104.52
+
+#############################################################################
+#setup for run
+thermo 		${thermo_rate}
+thermo_style 	custom step vol temp epair pe etotal press density
+
+timestep 	${ts}
+run_style 	verlet
+
+neighbor	2.0 bin
+neigh_modify	every 1 delay 3 check yes
+
+#############################################################################
+
+#dump positions only in first batch run
+#dump 		7 all custom ${samp_rate} dump.lammpstrj id x y z
+#dump_modify	7 sort id
+
+#############################################################################
+#initialize velocity and rigid constraint
+
+fix 		rigid all shake 1.0e-8 100 0 b 1 a 1 t 1 2
+velocity 	all create ${myT} 15856 dist gaussian rot yes mom yes
+
+#scale velocity
+run		0
+velocity	all scale ${myT}
+
+compute    	e3b all pair e3b
+fix		e3b all ave/time 1 1 ${thermo_rate} c_e3b c_e3b[*] &
+		file e3b.txt title2 "step pe_e3b pe_e2 pe_ea pe_eb pe_ec"
+
+#############################################################################
+#equilibrate bulk water at NVT
+
+fix 		1 all nvt temp ${myT} ${myT} ${Tdamp}
+run 		${equil}
+
+#############################################################################
+#run at NVT
+
+#dump 		1 all custom ${samp_rate} dump.lammpstrj id x y z type
+#dump_modify	1 sort id
+
+run 		${run}
+
+# write_restart 	lammps.restart
diff --git a/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.1 b/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..71803f35818b2b0a2178e225c0b98cc1ab2703ca
--- /dev/null
+++ b/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.1
@@ -0,0 +1,332 @@
+LAMMPS (29 Mar 2019)
+#LAMMPS input file
+#to simulate bulk E3B3 water model
+
+#####################################################################
+
+variable	samp_rate 	equal 10
+variable	thermo_rate 	equal 10
+variable	Wlat		equal 3.10744  #for water density 0.997g/mL
+variable        L		equal 3  #(L*2)^3 = Nmolec, L=3 -> N=216
+
+variable	equil		equal 100
+variable	run		equal 100
+
+variable	ts		equal 2.0
+variable	Tdamp		equal 100*${ts}
+variable	Tdamp		equal 100*2
+variable 	Pdamp		equal 1000*${ts}
+variable 	Pdamp		equal 1000*2
+variable	myT		equal 298.0
+variable	myP		equal 1.0
+
+units 		real
+atom_style	full
+
+dimension 	3
+
+boundary 	p p p
+
+#############################################################################
+#setup box
+read_data       e3b_box.data
+  orthogonal box = (-9.32232 -9.32232 -9.32232) to (9.32232 9.32232 9.32232)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  648 atoms
+  reading velocities ...
+  648 velocities
+  scanning bonds ...
+  2 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  432 bonds
+  reading angles ...
+  216 angles
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000257254 secs
+  read_data CPU = 0.00286555 secs
+
+#############################################################################
+#set up potential
+
+pair_style 	hybrid/overlay e3b 1 lj/cut/tip4p/long 1 2 1 1 0.1546 8.5
+pair_modify 	table 0 table/disp 0 shift yes
+
+bond_style  	harmonic
+angle_style 	harmonic
+
+kspace_style 	pppm/tip4p 1.0e-6
+
+pair_coeff 	* * lj/cut/tip4p/long 0.0 0.0
+pair_coeff	1 1 lj/cut/tip4p/long 0.1852 3.1589
+pair_coeff	* * e3b preset 2015
+
+#potential coeffs aren't too important since will be rigid anyways
+bond_coeff	1 554.13 0.9572
+angle_coeff	1 45.769 104.52
+
+#############################################################################
+#setup for run
+thermo 		${thermo_rate}
+thermo 		10
+thermo_style 	custom step vol temp epair pe etotal press density
+
+timestep 	${ts}
+timestep 	2
+run_style 	verlet
+
+neighbor	2.0 bin
+neigh_modify	every 1 delay 3 check yes
+
+#############################################################################
+
+#dump positions only in first batch run
+#dump 		7 all custom ${samp_rate} dump.lammpstrj id x y z
+#dump_modify	7 sort id
+
+#############################################################################
+#initialize velocity and rigid constraint
+
+fix 		rigid all shake 1.0e-8 100 0 b 1 a 1 t 1 2
+  0 = # of size 2 clusters
+  0 = # of size 3 clusters
+  0 = # of size 4 clusters
+  216 = # of frozen angles
+  find clusters CPU = 0.000185728 secs
+velocity 	all create ${myT} 15856 dist gaussian rot yes mom yes
+velocity 	all create 298 15856 dist gaussian rot yes mom yes
+
+#scale velocity
+run		0
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 91125 46656
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 16.4 | 16.4 | 16.4 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+       0    6481.2982          298   -512.62432   -512.62432   -129.77504    14088.322   0.99697602 
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 648 atoms
+
+251.7% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0          | 0          | 0          |   0.0 |  0.00
+Bond    | 0          | 0          | 0          |   0.0 |  0.00
+Kspace  | 0          | 0          | 0          |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0          | 0          | 0          |   0.0 |  0.00
+Output  | 0          | 0          | 0          |   0.0 |  0.00
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 1.192e-06  |            |       |100.00
+
+Nlocal:    648 ave 648 max 648 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5943 ave 5943 max 5943 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    18984 ave 18984 max 18984 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 18984
+Ave neighs/atom = 29.2963
+Ave special neighs/atom = 2
+Neighbor list builds = 0
+Dangerous builds = 0
+velocity	all scale ${myT}
+velocity	all scale 298
+
+compute    	e3b all pe/e3b
+fix		e3b all ave/time 1 1 ${thermo_rate} c_e3b c_e3b[*] 		file e3b.txt title2 "step pe_e3b pe_ea pe_eb pe_ec pe_e2"
+fix		e3b all ave/time 1 1 10 c_e3b c_e3b[*] 		file e3b.txt title2 "step pe_e3b pe_ea pe_eb pe_ec pe_e2"
+
+#############################################################################
+#equilibrate bulk water at NVT
+
+fix 		1 all nvt temp ${myT} ${myT} ${Tdamp}
+fix 		1 all nvt temp 298 ${myT} ${Tdamp}
+fix 		1 all nvt temp 298 298 ${Tdamp}
+fix 		1 all nvt temp 298 298 200
+run 		${equil}
+run 		100
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 91125 46656
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 16.88 | 16.88 | 16.88 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+       0    6481.2982          298   -512.33264   -512.33264   -129.48336    14091.383   0.99697602 
+      10    6481.2982    905.58028   -1442.0378   -1442.0378   -278.61245   -798.38952   0.99697602 
+      20    6481.2982    816.39844   -1363.5999   -1363.5999   -314.74903    3023.9064   0.99697602 
+      30    6481.2982     783.3897   -1370.6594   -1370.6594   -364.21587    7095.4765   0.99697602 
+      40    6481.2982    793.12519   -1425.8404   -1425.8404   -406.88933     7030.242   0.99697602 
+      50    6481.2982    810.90264   -1495.4822   -1495.4822   -453.69195    6944.2325   0.99697602 
+      60    6481.2982    766.64937   -1491.2317   -1491.2317   -506.29493    9062.0151   0.99697602 
+      70    6481.2982    761.77292   -1538.7368   -1538.7368   -560.06492    7693.2197   0.99697602 
+      80    6481.2982    730.44938   -1554.1818   -1554.1818   -615.75215    7345.9601   0.99697602 
+      90    6481.2982    695.46244   -1563.9869   -1563.9869   -670.50605    7809.0685   0.99697602 
+     100    6481.2982     691.5674   -1613.2754   -1613.2754   -724.79866     7143.062   0.99697602 
+Loop time of 1.94577 on 1 procs for 100 steps with 648 atoms
+
+Performance: 8.881 ns/day, 2.702 hours/ns, 51.393 timesteps/s
+99.7% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.91572    | 0.91572    | 0.91572    |   0.0 | 47.06
+Bond    | 6.7234e-05 | 6.7234e-05 | 6.7234e-05 |   0.0 |  0.00
+Kspace  | 0.92654    | 0.92654    | 0.92654    |   0.0 | 47.62
+Neigh   | 0.087331   | 0.087331   | 0.087331   |   0.0 |  4.49
+Comm    | 0.0054724  | 0.0054724  | 0.0054724  |   0.0 |  0.28
+Output  | 0.0003047  | 0.0003047  | 0.0003047  |   0.0 |  0.02
+Modify  | 0.0093319  | 0.0093319  | 0.0093319  |   0.0 |  0.48
+Other   |            | 0.001007   |            |       |  0.05
+
+Nlocal:    648 ave 648 max 648 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5911 ave 5911 max 5911 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    19136 ave 19136 max 19136 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 19136
+Ave neighs/atom = 29.5309
+Ave special neighs/atom = 2
+Neighbor list builds = 15
+Dangerous builds = 0
+
+#############################################################################
+#run at NVT
+
+#dump 		1 all custom ${samp_rate} dump.lammpstrj id x y z type
+#dump_modify	1 sort id
+
+run 		${run}
+run 		100
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 91125 46656
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 16.88 | 16.88 | 16.88 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+     100    6481.2982     691.5674   -1613.2754   -1613.2754   -724.79866    7131.3961   0.99697602 
+     110    6481.2982    668.27004   -1635.5867   -1635.5867   -777.04068    6965.8705   0.99697602 
+     120    6481.2982    646.18686   -1659.5025   -1659.5025   -829.32738    6196.7432   0.99697602 
+     130    6481.2982     650.7802   -1716.9557   -1716.9557   -880.87943    5626.5466   0.99697602 
+     140    6481.2982      586.262   -1681.8052   -1681.8052   -928.61728     6103.747   0.99697602 
+     150    6481.2982    615.88299   -1767.8614   -1767.8614   -976.61859     3897.648   0.99697602 
+     160    6481.2982    585.23516   -1773.2038   -1773.2038   -1021.3352    4821.7742   0.99697602 
+     170    6481.2982    558.77885   -1782.2817   -1782.2817   -1064.4022    5092.7248   0.99697602 
+     180    6481.2982    564.01576   -1830.0301   -1830.0301   -1105.4226    4316.1636   0.99697602 
+     190    6481.2982    526.53776   -1821.3122   -1821.3122   -1144.8538    4529.5062   0.99697602 
+     200    6481.2982    537.81273   -1873.6662   -1873.6662   -1182.7226     4244.313   0.99697602 
+Loop time of 1.9157 on 1 procs for 100 steps with 648 atoms
+
+Performance: 9.020 ns/day, 2.661 hours/ns, 52.200 timesteps/s
+99.6% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.90464    | 0.90464    | 0.90464    |   0.0 | 47.22
+Bond    | 6.9141e-05 | 6.9141e-05 | 6.9141e-05 |   0.0 |  0.00
+Kspace  | 0.92769    | 0.92769    | 0.92769    |   0.0 | 48.43
+Neigh   | 0.067551   | 0.067551   | 0.067551   |   0.0 |  3.53
+Comm    | 0.0051386  | 0.0051386  | 0.0051386  |   0.0 |  0.27
+Output  | 0.00029993 | 0.00029993 | 0.00029993 |   0.0 |  0.02
+Modify  | 0.0092504  | 0.0092504  | 0.0092504  |   0.0 |  0.48
+Other   |            | 0.001062   |            |       |  0.06
+
+Nlocal:    648 ave 648 max 648 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5901 ave 5901 max 5901 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    18971 ave 18971 max 18971 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 18971
+Ave neighs/atom = 29.2762
+Ave special neighs/atom = 2
+Neighbor list builds = 12
+Dangerous builds = 0
+
+# write_restart 	lammps.restart
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:03
diff --git a/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.4 b/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..b61ffa5a8f26ea0c8810183b1a43182477134a87
--- /dev/null
+++ b/examples/USER/e3b/log.29Mar2019.e3b-tip4p2005.g++.4
@@ -0,0 +1,332 @@
+LAMMPS (29 Mar 2019)
+#LAMMPS input file
+#to simulate bulk E3B3 water model
+
+#####################################################################
+
+variable	samp_rate 	equal 10
+variable	thermo_rate 	equal 10
+variable	Wlat		equal 3.10744  #for water density 0.997g/mL
+variable        L		equal 3  #(L*2)^3 = Nmolec, L=3 -> N=216
+
+variable	equil		equal 100
+variable	run		equal 100
+
+variable	ts		equal 2.0
+variable	Tdamp		equal 100*${ts}
+variable	Tdamp		equal 100*2
+variable 	Pdamp		equal 1000*${ts}
+variable 	Pdamp		equal 1000*2
+variable	myT		equal 298.0
+variable	myP		equal 1.0
+
+units 		real
+atom_style	full
+
+dimension 	3
+
+boundary 	p p p
+
+#############################################################################
+#setup box
+read_data       e3b_box.data
+  orthogonal box = (-9.32232 -9.32232 -9.32232) to (9.32232 9.32232 9.32232)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  648 atoms
+  reading velocities ...
+  648 velocities
+  scanning bonds ...
+  2 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  432 bonds
+  reading angles ...
+  216 angles
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.00029397 secs
+  read_data CPU = 0.00397325 secs
+
+#############################################################################
+#set up potential
+
+pair_style 	hybrid/overlay e3b 1 lj/cut/tip4p/long 1 2 1 1 0.1546 8.5
+pair_modify 	table 0 table/disp 0 shift yes
+
+bond_style  	harmonic
+angle_style 	harmonic
+
+kspace_style 	pppm/tip4p 1.0e-6
+
+pair_coeff 	* * lj/cut/tip4p/long 0.0 0.0
+pair_coeff	1 1 lj/cut/tip4p/long 0.1852 3.1589
+pair_coeff	* * e3b preset 2015
+
+#potential coeffs aren't too important since will be rigid anyways
+bond_coeff	1 554.13 0.9572
+angle_coeff	1 45.769 104.52
+
+#############################################################################
+#setup for run
+thermo 		${thermo_rate}
+thermo 		10
+thermo_style 	custom step vol temp epair pe etotal press density
+
+timestep 	${ts}
+timestep 	2
+run_style 	verlet
+
+neighbor	2.0 bin
+neigh_modify	every 1 delay 3 check yes
+
+#############################################################################
+
+#dump positions only in first batch run
+#dump 		7 all custom ${samp_rate} dump.lammpstrj id x y z
+#dump_modify	7 sort id
+
+#############################################################################
+#initialize velocity and rigid constraint
+
+fix 		rigid all shake 1.0e-8 100 0 b 1 a 1 t 1 2
+  0 = # of size 2 clusters
+  0 = # of size 3 clusters
+  0 = # of size 4 clusters
+  216 = # of frozen angles
+  find clusters CPU = 0.000289917 secs
+velocity 	all create ${myT} 15856 dist gaussian rot yes mom yes
+velocity 	all create 298 15856 dist gaussian rot yes mom yes
+
+#scale velocity
+run		0
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 32805 11664
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 10.69 | 10.69 | 10.69 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+       0    6481.2982          298   -512.62432   -512.62432   -129.77504    14088.322   0.99697602 
+Loop time of 3.30806e-05 on 4 procs for 0 steps with 648 atoms
+
+77.1% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0          | 0          | 0          |   0.0 |  0.00
+Bond    | 0          | 0          | 0          |   0.0 |  0.00
+Kspace  | 0          | 0          | 0          |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0          | 0          | 0          |   0.0 |  0.00
+Output  | 0          | 0          | 0          |   0.0 |  0.00
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 3.308e-05  |            |       |100.00
+
+Nlocal:    162 ave 168 max 157 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    3738 ave 3743 max 3732 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    4746 ave 5380 max 4318 min
+Histogram: 1 1 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 18984
+Ave neighs/atom = 29.2963
+Ave special neighs/atom = 2
+Neighbor list builds = 0
+Dangerous builds = 0
+velocity	all scale ${myT}
+velocity	all scale 298
+
+compute    	e3b all pe/e3b
+fix		e3b all ave/time 1 1 ${thermo_rate} c_e3b c_e3b[*] 		file e3b.txt title2 "step pe_e3b pe_ea pe_eb pe_ec pe_e2"
+fix		e3b all ave/time 1 1 10 c_e3b c_e3b[*] 		file e3b.txt title2 "step pe_e3b pe_ea pe_eb pe_ec pe_e2"
+
+#############################################################################
+#equilibrate bulk water at NVT
+
+fix 		1 all nvt temp ${myT} ${myT} ${Tdamp}
+fix 		1 all nvt temp 298 ${myT} ${Tdamp}
+fix 		1 all nvt temp 298 298 ${Tdamp}
+fix 		1 all nvt temp 298 298 200
+run 		${equil}
+run 		100
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 32805 11664
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.18 | 11.18 | 11.18 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+       0    6481.2982          298   -512.33264   -512.33264   -129.48336    14091.383   0.99697602 
+      10    6481.2982    905.58028   -1442.0378   -1442.0378   -278.61245   -798.38952   0.99697602 
+      20    6481.2982    816.39844   -1363.5999   -1363.5999   -314.74903    3023.9064   0.99697602 
+      30    6481.2982     783.3897   -1370.6594   -1370.6594   -364.21587    7095.4765   0.99697602 
+      40    6481.2982    793.12519   -1425.8404   -1425.8404   -406.88933     7030.242   0.99697602 
+      50    6481.2982    810.90264   -1495.4822   -1495.4822   -453.69195    6944.2325   0.99697602 
+      60    6481.2982    766.64937   -1491.2317   -1491.2317   -506.29493    9062.0151   0.99697602 
+      70    6481.2982    761.77292   -1538.7368   -1538.7368   -560.06492    7693.2197   0.99697602 
+      80    6481.2982    730.44938   -1554.1818   -1554.1818   -615.75215    7345.9601   0.99697602 
+      90    6481.2982    695.46244   -1563.9869   -1563.9869   -670.50605    7809.0685   0.99697602 
+     100    6481.2982     691.5674   -1613.2754   -1613.2754   -724.79866     7143.062   0.99697602 
+Loop time of 1.20724 on 4 procs for 100 steps with 648 atoms
+
+Performance: 14.314 ns/day, 1.677 hours/ns, 82.834 timesteps/s
+97.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.37421    | 0.39416    | 0.42739    |   3.2 | 32.65
+Bond    | 5.8651e-05 | 7.1406e-05 | 8.2016e-05 |   0.0 |  0.01
+Kspace  | 0.67929    | 0.71762    | 0.74038    |   2.8 | 59.44
+Neigh   | 0.042206   | 0.042236   | 0.042263   |   0.0 |  3.50
+Comm    | 0.0248     | 0.031467   | 0.035969   |   2.7 |  2.61
+Output  | 0.00064564 | 0.0008018  | 0.0012648  |   0.0 |  0.07
+Modify  | 0.018263   | 0.01869    | 0.019076   |   0.2 |  1.55
+Other   |            | 0.002194   |            |       |  0.18
+
+Nlocal:    162 ave 170 max 151 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+Nghost:    3726.75 ave 3737 max 3720 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Neighs:    4784 ave 5474 max 4389 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 19136
+Ave neighs/atom = 29.5309
+Ave special neighs/atom = 2
+Neighbor list builds = 15
+Dangerous builds = 0
+
+#############################################################################
+#run at NVT
+
+#dump 		1 all custom ${samp_rate} dump.lammpstrj id x y z type
+#dump_modify	1 sort id
+
+run 		${run}
+run 		100
+PPPM initialization ...
+  extracting TIP4P info from pair style
+  using polynomial approximation for long-range coulomb (../kspace.cpp:319)
+  G vector (1/distance) = 0.409658
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000341883
+  estimated relative force accuracy = 1.02957e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 32805 11664
+Neighbor list info ...
+  update every 1 steps, delay 3 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10.8092
+  ghost atom cutoff = 10.8092
+  binsize = 5.4046, bins = 4 4 4
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair e3b, perpetual, skip from (2)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/tip4p/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.18 | 11.18 | 11.18 Mbytes
+Step Volume Temp E_pair PotEng TotEng Press Density 
+     100    6481.2982     691.5674   -1613.2754   -1613.2754   -724.79866    7131.3961   0.99697602 
+     110    6481.2982    668.27004   -1635.5867   -1635.5867   -777.04068    6965.8705   0.99697602 
+     120    6481.2982    646.18686   -1659.5025   -1659.5025   -829.32738    6196.7432   0.99697602 
+     130    6481.2982     650.7802   -1716.9557   -1716.9557   -880.87943    5626.5466   0.99697602 
+     140    6481.2982      586.262   -1681.8052   -1681.8052   -928.61728     6103.747   0.99697602 
+     150    6481.2982    615.88299   -1767.8614   -1767.8614   -976.61859     3897.648   0.99697602 
+     160    6481.2982    585.23516   -1773.2038   -1773.2038   -1021.3352    4821.7742   0.99697602 
+     170    6481.2982    558.77885   -1782.2817   -1782.2817   -1064.4022    5092.7248   0.99697602 
+     180    6481.2982    564.01576   -1830.0301   -1830.0301   -1105.4226    4316.1636   0.99697602 
+     190    6481.2982    526.53776   -1821.3122   -1821.3122   -1144.8538    4529.5062   0.99697602 
+     200    6481.2982    537.81273   -1873.6662   -1873.6662   -1182.7226     4244.313   0.99697602 
+Loop time of 1.21286 on 4 procs for 100 steps with 648 atoms
+
+Performance: 14.247 ns/day, 1.685 hours/ns, 82.450 timesteps/s
+97.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.37664    | 0.39663    | 0.4367     |   3.8 | 32.70
+Bond    | 6.175e-05  | 6.7353e-05 | 7.4148e-05 |   0.0 |  0.01
+Kspace  | 0.6969     | 0.73237    | 0.75103    |   2.5 | 60.38
+Neigh   | 0.033138   | 0.03317    | 0.033202   |   0.0 |  2.73
+Comm    | 0.022651   | 0.02763    | 0.034947   |   3.0 |  2.28
+Output  | 0.00065303 | 0.00096697 | 0.0018971  |   0.0 |  0.08
+Modify  | 0.017379   | 0.018252   | 0.018955   |   0.4 |  1.50
+Other   |            | 0.003775   |            |       |  0.31
+
+Nlocal:    162 ave 175 max 156 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    3689.5 ave 3721 max 3651 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Neighs:    4742.75 ave 5159 max 4485 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 18971
+Ave neighs/atom = 29.2762
+Ave special neighs/atom = 2
+Neighbor list builds = 12
+Dangerous builds = 0
+
+# write_restart 	lammps.restart
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/USER/misc/drip/C.drip b/examples/USER/misc/drip/C.drip
new file mode 120000
index 0000000000000000000000000000000000000000..44959e24235ce1ae17f1c55452b5988d0772787c
--- /dev/null
+++ b/examples/USER/misc/drip/C.drip
@@ -0,0 +1 @@
+../../../../potentials/C.drip
\ No newline at end of file
diff --git a/examples/USER/misc/drip/CH.rebo b/examples/USER/misc/drip/CH.rebo
new file mode 120000
index 0000000000000000000000000000000000000000..c5a6a40100959ab98c805328da8f63603b0f3cc7
--- /dev/null
+++ b/examples/USER/misc/drip/CH.rebo
@@ -0,0 +1 @@
+../../../../potentials/CH.rebo
\ No newline at end of file
diff --git a/examples/USER/misc/drip/README.txt b/examples/USER/misc/drip/README.txt
new file mode 100644
index 0000000000000000000000000000000000000000..26a8e3dd00bea821e1171607b14f0210ee8f52b2
--- /dev/null
+++ b/examples/USER/misc/drip/README.txt
@@ -0,0 +1,6 @@
+in.C_drip:
+   Use DRIP and REBO to relax a bilayer graphene.
+
+in.CH_drip:
+   Use DRIP and REBO to relax a bilayer graphene with additional hydrogen atoms
+   on top of it.
diff --git a/examples/USER/misc/drip/data.C b/examples/USER/misc/drip/data.C
new file mode 100644
index 0000000000000000000000000000000000000000..18ff6af64524b8d920cd71aae2bbba1418f998ae
--- /dev/null
+++ b/examples/USER/misc/drip/data.C
@@ -0,0 +1,416 @@
+LAMMPS data file
+
+400 atoms
+1 atom types
+
+0.0 2.465000000000000e+01 xlo xhi
+0.0 2.134752620328641e+01 ylo yhi
+0.0 3.000000000000000e+01 zlo zhi
+1.232500000000000e+01 0.000000000000000e+00 0.000000000000000e+00 xy xz yz
+
+Masses
+
+1 12.011
+
+Atoms # molecular
+
+1    1 1  0.000000000000000e+00  0.000000000000000e+00  1.498097531971289e+01
+2    1 1  9.859999999999999e+00  1.707802096262913e+01  1.489139792549795e+01
+3    1 1  2.588250000000000e+01  6.404257860985923e+00  1.495586615731768e+01
+4    1 1  2.711500000000000e+01  7.115842067762138e+00  1.501795235919980e+01
+5    1 1  4.930000000000000e+00  8.539010481314564e+00  1.492827527515956e+01
+6    1 1  6.162499999999999e+00  9.250594688090777e+00  1.500678649580791e+01
+7    1 1  3.204499999999999e+01  1.565485254907670e+01  1.511662064028576e+01
+8    1 1  3.081250000000000e+01  1.494326834230049e+01  1.505500683988625e+01
+9    1 1  7.395000000000000e+00  8.539010481314564e+00  1.504923694256975e+01
+10   1 1  8.627500000000000e+00  9.250594688090777e+00  1.503332570633445e+01
+11   1 1  9.859999999999999e+00  8.539010481314564e+00  1.508137430939768e+01
+12   1 1  1.109250000000000e+01  9.250594688090777e+00  1.510475862694483e+01
+13   1 1  1.109250000000000e+01  1.778960516940534e+01  1.494613902888088e+01
+14   1 1  2.958000000000000e+01  1.565485254907670e+01  1.516279958068751e+01
+15   1 1  1.232500000000000e+01  8.539010481314564e+00  1.511276583208523e+01
+16   1 1  1.355750000000000e+01  9.250594688090777e+00  1.495632206546155e+01
+17   1 1  1.479000000000000e+01  8.539010481314564e+00  1.498291715828213e+01
+18   1 1  1.602250000000000e+01  9.250594688090777e+00  1.509801558902469e+01
+19   1 1  2.711499999999999e+01  1.565485254907670e+01  1.500089766276763e+01
+20   1 1  2.588250000000000e+01  1.494326834230049e+01  1.505114888970355e+01
+21   1 1  1.725500000000000e+01  8.539010481314564e+00  1.504495103103041e+01
+22   1 1  1.848750000000000e+01  9.250594688090777e+00  1.513527732850389e+01
+23   1 1  1.972000000000000e+01  8.539010481314564e+00  1.502400693288890e+01
+24   1 1  2.095250000000000e+01  9.250594688090777e+00  1.490419939433632e+01
+25   1 1  2.465000000000000e+01  1.565485254907670e+01  1.492998117758711e+01
+26   1 1  2.834750000000000e+01  1.494326834230049e+01  1.496091474579883e+01
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diff --git a/examples/USER/misc/drip/data.CH b/examples/USER/misc/drip/data.CH
new file mode 100644
index 0000000000000000000000000000000000000000..17e9f4e18f703ed7f95c71e9521d422cb8e3816c
--- /dev/null
+++ b/examples/USER/misc/drip/data.CH
@@ -0,0 +1,562 @@
+LAMMPS data file
+
+545 atoms
+2 atom types
+
+0.0 2.465000000000000e+01 xlo xhi
+0.0 2.134752620328641e+01 ylo yhi
+0.0 3.000000000000000e+01 zlo zhi
+1.232500000000000e+01 0.000000000000000e+00 0.000000000000000e+00 xy xz yz
+
+Masses
+
+1 12.011
+2 1.0
+
+Atoms # molecular
+
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+539  2 2  1.725500000000000e+01  9.962178894866991e+00  2.000000000000000e+01
+540  2 2  1.848750000000000e+01  9.250594688090777e+00  2.000000000000000e+01
+541  2 2  2.341750000000000e+01  9.250594688090777e+00  2.000000000000000e+01
+542  2 2  2.465000000000000e+01  9.962178894866991e+00  2.000000000000000e+01
+543  2 2  2.588250000000000e+01  9.250594688090777e+00  2.000000000000000e+01
+544  2 2  8.627500000000000e+00  9.250594688090777e+00  2.000000000000000e+01
+545  2 2  3.574249999999999e+01  2.063594199651019e+01  2.000000000000000e+01
diff --git a/examples/USER/misc/drip/in.CH_drip b/examples/USER/misc/drip/in.CH_drip
new file mode 100644
index 0000000000000000000000000000000000000000..cf67fae639428a6b5f2ae502f8c850bfa289e8fb
--- /dev/null
+++ b/examples/USER/misc/drip/in.CH_drip
@@ -0,0 +1,30 @@
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.CH
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C NULL  # only applies to species 1, i.e. C
+pair_coeff * * rebo  CH.rebo  C H     # species 1 is C and species 2 is H
+
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+
diff --git a/examples/USER/misc/drip/in.C_drip b/examples/USER/misc/drip/in.C_drip
new file mode 100644
index 0000000000000000000000000000000000000000..0b66d0b9f72fcf361005ff2675df163cecbb7c82
--- /dev/null
+++ b/examples/USER/misc/drip/in.C_drip
@@ -0,0 +1,29 @@
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.C
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C
+pair_coeff * * rebo  CH.rebo  C
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+
diff --git a/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.1 b/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..9aad2cd22f58b4cb451813e491780e4412279390
--- /dev/null
+++ b/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.1
@@ -0,0 +1,111 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.CH
+  triclinic box = (0 0 0) to (24.65 21.3475 30) with tilt (12.325 0 0)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  545 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+  special bonds CPU = 0.000152826 secs
+  read_data CPU = 0.000973701 secs
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C NULL  # only applies to species 1, i.e. C
+Reading potential file C.drip with DATE: 2019-04-19
+pair_coeff * * rebo  CH.rebo  C H     # species 1 is C and species 2 is H
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17.7
+  ghost atom cutoff = 17.7
+  binsize = 8.85, bins = 5 3 1
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair drip, perpetual, skip from (2)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 12.92 | 12.92 | 12.92 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            0   -2884.3731            0   -2884.3731     366196.9    2779.5956 
+      10            0   -3240.4807            0   -3240.4807   -20237.368    2779.5956 
+      20            0   -3281.0671            0   -3281.0671   -13303.696    2779.5956 
+      30            0   -3282.2176            0   -3282.2176   -19187.215    2779.5956 
+      40            0   -3282.4004            0   -3282.4004   -21740.059    2779.5956 
+      50            0   -3282.4755            0   -3282.4755   -22659.554    2779.5956 
+      57            0   -3282.5011            0   -3282.5011   -23313.198    2779.5956 
+Loop time of 3.04218 on 1 procs for 57 steps with 545 atoms
+
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max force evaluations
+  Energy initial, next-to-last, final = 
+        -2884.37307546     -3282.49993222      -3282.5010627
+  Force two-norm initial, final = 115.342 0.193154
+  Force max component initial, final = 12.0934 0.03617
+  Final line search alpha, max atom move = 1 0.03617
+  Iterations, force evaluations = 57 100
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.0291     | 3.0291     | 3.0291     |   0.0 | 99.57
+Bond    | 1.8835e-05 | 1.8835e-05 | 1.8835e-05 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0016081  | 0.0016081  | 0.0016081  |   0.0 |  0.05
+Output  | 0.0079796  | 0.0079796  | 0.0079796  |   0.0 |  0.26
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.003517   |            |       |  0.12
+
+Nlocal:    545 ave 545 max 545 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    3175 ave 3175 max 3175 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  294122 ave 294122 max 294122 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 294122
+Ave neighs/atom = 539.673
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:03
diff --git a/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.4 b/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..9d439bca456839696769e61ee3fd2aa6cda89f64
--- /dev/null
+++ b/examples/USER/misc/drip/log.30Apr19.CH_drip.g++.4
@@ -0,0 +1,111 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.CH
+  triclinic box = (0 0 0) to (24.65 21.3475 30) with tilt (12.325 0 0)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  545 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+  special bonds CPU = 0.000135422 secs
+  read_data CPU = 0.00368595 secs
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C NULL  # only applies to species 1, i.e. C
+Reading potential file C.drip with DATE: 2019-04-19
+pair_coeff * * rebo  CH.rebo  C H     # species 1 is C and species 2 is H
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17.7
+  ghost atom cutoff = 17.7
+  binsize = 8.85, bins = 5 3 1
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair drip, perpetual, skip from (2)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.03 | 11.1 | 11.16 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            0   -2884.3731            0   -2884.3731     366196.9    2779.5956 
+      10            0   -3240.4807            0   -3240.4807   -20237.368    2779.5956 
+      20            0   -3281.0671            0   -3281.0671   -13303.696    2779.5956 
+      30            0   -3282.2176            0   -3282.2176   -19187.216    2779.5956 
+      40            0   -3282.4004            0   -3282.4004   -21740.027    2779.5956 
+      50            0   -3282.4753            0   -3282.4753   -22682.604    2779.5956 
+      57            0   -3282.5023            0   -3282.5023   -23355.081    2779.5956 
+Loop time of 1.66218 on 4 procs for 57 steps with 545 atoms
+
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max force evaluations
+  Energy initial, next-to-last, final = 
+        -2884.37307546     -3282.50070864     -3282.50227121
+  Force two-norm initial, final = 115.342 0.228488
+  Force max component initial, final = 12.0934 0.03365
+  Final line search alpha, max atom move = 1 0.03365
+  Iterations, force evaluations = 57 100
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.5571     | 1.5945     | 1.6314     |   2.3 | 95.93
+Bond    | 2.265e-05  | 2.9087e-05 | 3.4571e-05 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.020248   | 0.05608    | 0.092328   |  11.8 |  3.37
+Output  | 0.0053282  | 0.0054213  | 0.0056982  |   0.2 |  0.33
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.006172   |            |       |  0.37
+
+Nlocal:    136.25 ave 177 max 100 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    2874.75 ave 2912 max 2835 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  73530.5 ave 73544 max 73517 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+
+Total # of neighbors = 294122
+Ave neighs/atom = 539.673
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:01
diff --git a/examples/USER/misc/drip/log.30Apr19.C_drip.g++.1 b/examples/USER/misc/drip/log.30Apr19.C_drip.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..6f19cee0488dab0b91e245d72294fe80ba83e6b3
--- /dev/null
+++ b/examples/USER/misc/drip/log.30Apr19.C_drip.g++.1
@@ -0,0 +1,110 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.C
+  triclinic box = (0 0 0) to (24.65 21.3475 30) with tilt (12.325 0 0)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  400 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+  special bonds CPU = 0.000912905 secs
+  read_data CPU = 0.00252986 secs
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C
+Reading potential file C.drip with DATE: 2019-04-19
+pair_coeff * * rebo  CH.rebo  C
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17.7
+  ghost atom cutoff = 17.7
+  binsize = 8.85, bins = 5 3 1
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair drip, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (2) pair rebo, perpetual, copy from (1)
+      attributes: full, newton on, ghost
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 12.21 | 12.21 | 12.21 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            0   -2941.0549            0   -2941.0549   -52204.715    2052.0534 
+      10            0   -2966.9787            0   -2966.9787    -29717.01    2052.0534 
+      20            0   -2967.0695            0   -2967.0695   -29614.636    2052.0534 
+      30            0   -2967.0859            0   -2967.0859   -29867.385    2052.0534 
+      40            0   -2967.0888            0   -2967.0888   -29997.486    2052.0534 
+      50            0   -2967.0896            0   -2967.0896   -30072.387    2052.0534 
+      51            0   -2967.0896            0   -2967.0896   -30076.548    2052.0534 
+Loop time of 2.93337 on 1 procs for 51 steps with 400 atoms
+
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max force evaluations
+  Energy initial, next-to-last, final = 
+        -2941.05486197     -2967.08958376     -2967.08962073
+  Force two-norm initial, final = 35.5666 0.0471918
+  Force max component initial, final = 6.23617 0.0050012
+  Final line search alpha, max atom move = 1 0.0050012
+  Iterations, force evaluations = 51 101
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.9239     | 2.9239     | 2.9239     |   0.0 | 99.68
+Bond    | 1.2398e-05 | 1.2398e-05 | 1.2398e-05 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0010808  | 0.0010808  | 0.0010808  |   0.0 |  0.04
+Output  | 0.0059283  | 0.0059283  | 0.0059283  |   0.0 |  0.20
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.002466   |            |       |  0.08
+
+Nlocal:    400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    2357 ave 2357 max 2357 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  294122 ave 294122 max 294122 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 294122
+Ave neighs/atom = 735.305
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:03
diff --git a/examples/USER/misc/drip/log.30Apr19.C_drip.g++.4 b/examples/USER/misc/drip/log.30Apr19.C_drip.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..54f9462b59053e87f8ee5f8f908ddb25d3f46a41
--- /dev/null
+++ b/examples/USER/misc/drip/log.30Apr19.C_drip.g++.4
@@ -0,0 +1,111 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Define unit set and class of atomic model
+units metal
+atom_style molecular
+
+# BC
+boundary p p s
+
+# read config
+read_data      data.C
+  triclinic box = (0 0 0) to (24.65 21.3475 30) with tilt (12.325 0 0)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  400 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+  special bonds CPU = 0.0003407 secs
+  read_data CPU = 0.00411105 secs
+
+
+# potential
+pair_style hybrid/overlay drip rebo
+pair_coeff * * drip  C.drip     C
+Reading potential file C.drip with DATE: 2019-04-19
+pair_coeff * * rebo  CH.rebo  C
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+compute        peratom all pe/atom
+
+# set what thermodynamic information to print to log
+thermo         10  # print every 1 timestep
+
+# set what information to write to dump file
+dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
+dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
+dump_modify    id sort id
+
+# minimize energy
+minimize  1.0e-15 1.0e-15 100 100
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17.7
+  ghost atom cutoff = 17.7
+  binsize = 8.85, bins = 5 3 1
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair drip, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (2) pair rebo, perpetual, copy from (1)
+      attributes: full, newton on, ghost
+      pair build: copy
+      stencil: none
+      bin: none
+WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:934)
+Per MPI rank memory allocation (min/avg/max) = 10.7 | 10.77 | 10.83 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            0   -2941.0549            0   -2941.0549   -52204.715    2052.0534 
+      10            0   -2966.9787            0   -2966.9787    -29717.01    2052.0534 
+      20            0   -2967.0695            0   -2967.0695   -29614.636    2052.0534 
+      30            0   -2967.0859            0   -2967.0859   -29867.385    2052.0534 
+      40            0   -2967.0888            0   -2967.0888   -29997.486    2052.0534 
+      50            0   -2967.0896            0   -2967.0896   -30072.387    2052.0534 
+      51            0   -2967.0896            0   -2967.0896   -30076.548    2052.0534 
+Loop time of 1.47901 on 4 procs for 51 steps with 400 atoms
+
+99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = max force evaluations
+  Energy initial, next-to-last, final = 
+        -2941.05486197     -2967.08958376     -2967.08962073
+  Force two-norm initial, final = 35.5666 0.0471918
+  Force max component initial, final = 6.23617 0.0050012
+  Final line search alpha, max atom move = 1 0.0050012
+  Iterations, force evaluations = 51 101
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.4314     | 1.4405     | 1.4548     |   0.8 | 97.40
+Bond    | 1.955e-05  | 2.265e-05  | 2.4796e-05 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.014506   | 0.029363   | 0.038964   |   5.5 |  1.99
+Output  | 0.00424    | 0.0043345  | 0.0046172  |   0.2 |  0.29
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.004772   |            |       |  0.32
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    2132 ave 2132 max 2132 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  73530.5 ave 73544 max 73517 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+
+Total # of neighbors = 294122
+Ave neighs/atom = 735.305
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Total wall time: 0:00:01
diff --git a/examples/USER/misc/electron_stopping/Si.Si.elstop b/examples/USER/misc/electron_stopping/Si.Si.elstop
new file mode 100644
index 0000000000000000000000000000000000000000..51618149ff193facd74073f53fb648c15a7692d0
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/Si.Si.elstop
@@ -0,0 +1,14 @@
+# Electronic stopping for Si in Si
+# Uses metal units
+# Kinetic energy in eV, stopping power in eV/A
+# For other atom types, add columns.
+
+# energy    Si in Si
+  3918.2      6.541
+ 15672.9     13.091
+ 35263.9     19.660
+ 62691.5     26.257
+ 97955.4     32.889
+141055.9     39.566
+191992.0     46.292
+250766.1     53.074
diff --git a/examples/USER/misc/electron_stopping/Si.sw b/examples/USER/misc/electron_stopping/Si.sw
new file mode 120000
index 0000000000000000000000000000000000000000..e57592133492b9631124fbe15db913045cdf9b64
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/Si.sw
@@ -0,0 +1 @@
+../../../../potentials/Si.sw
\ No newline at end of file
diff --git a/examples/USER/misc/electron_stopping/in.elstop b/examples/USER/misc/electron_stopping/in.elstop
new file mode 100644
index 0000000000000000000000000000000000000000..beaffbb8215288c392d70884301795d46352025b
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/in.elstop
@@ -0,0 +1,38 @@
+# Test case / example for fix electron/stopping
+# Perfect Si lattice with one primary knock-on atom.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 5.431
+
+region rbox block -10 10 -10 10 -10 10
+create_box 1 rbox
+
+mass 1 28.0855
+
+create_atoms 1 box
+
+velocity all create 300 42534 mom yes rot yes
+
+group gPKA id 1
+velocity gPKA set 1120 1620 389
+
+pair_style sw
+pair_coeff * * Si.sw Si
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop
+fix fnve all nve
+
+thermo 10
+thermo_style custom step time dt f_fel
+
+#compute ek all ke/atom
+#dump mydump all custom 200 elstop.dump id x y z vx vy vz fx fy fz c_ek
+
+run 5000
diff --git a/examples/USER/misc/electron_stopping/in.elstop.only b/examples/USER/misc/electron_stopping/in.elstop.only
new file mode 100644
index 0000000000000000000000000000000000000000..3e9650802c7d866b3d02c072a88eedb160eb456e
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/in.elstop.only
@@ -0,0 +1,39 @@
+# Test case / example for fix electron/stopping
+# One fast atom, no other interactions.
+# Stopping only applied in a smaller box in the middle.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 1
+
+region rbox block -100 100 -100 100 -100 100
+region rsmallbox block -90 90 -90 90 -90 90
+
+create_box 1 rbox
+
+mass 1 28.0855
+
+create_atoms 1 single 0 0 0
+velocity all set 1120 1620 389
+
+pair_style zero 1
+pair_coeff * * 1
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop minneigh 0 region rsmallbox
+fix fnve all nve
+
+compute ek all ke/atom
+compute ektot all reduce sum c_ek
+
+thermo 100
+thermo_style custom step time dt f_fel c_ektot
+
+#dump mydump all custom 200 elstop.only.dump id x y z vx vy vz fx fy fz c_ek
+
+run 10000
diff --git a/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.1 b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..cbe70373af7e13222e3e9491aa64e6e823427cb3
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.1
@@ -0,0 +1,597 @@
+LAMMPS (28 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Test case / example for fix electron/stopping
+# Perfect Si lattice with one primary knock-on atom.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 5.431
+Lattice spacing in x,y,z = 5.431 5.431 5.431
+
+region rbox block -10 10 -10 10 -10 10
+create_box 1 rbox
+Created orthogonal box = (-54.31 -54.31 -54.31) to (54.31 54.31 54.31)
+  1 by 1 by 1 MPI processor grid
+
+mass 1 28.0855
+
+create_atoms 1 box
+Created 32000 atoms
+  create_atoms CPU = 0.00282311 secs
+
+velocity all create 300 42534 mom yes rot yes
+
+group gPKA id 1
+1 atoms in group gPKA
+velocity gPKA set 1120 1620 389
+
+pair_style sw
+pair_coeff * * Si.sw Si
+Reading potential file Si.sw with DATE: 2007-06-11
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop
+fix fnve all nve
+
+thermo 10
+thermo_style custom step time dt f_fel
+
+#compute ek all ke/atom
+#dump mydump all custom 200 elstop.dump id x y z vx vy vz fx fy fz c_ek
+
+run 5000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77118
+  ghost atom cutoff = 5.77118
+  binsize = 2.88559, bins = 38 38 38
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) fix electron/stopping, occasional, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 10.89 | 10.89 | 10.89 Mbytes
+Step Time Dt f_fel 
+       0            0  4.98128e-05            0 
+      10 0.00030141297 7.4132113e-06    143.83504 
+      20 0.00035951427 6.0316944e-06    171.53673 
+      30 0.00057458971 3.5117251e-05    274.07596 
+      40 0.00086591312 5.8243334e-06    412.87446 
+      50 0.00090045701 2.1026443e-06    429.31458 
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+    3220 0.0080624222 3.6439432e-08    3800.2387 
+    3230 0.0080627848 3.6058573e-08    3800.4022 
+    3240 0.0080631438 3.5704146e-08     3800.564 
+    3250 0.0080634994 3.5374876e-08    3800.7241 
+    3260 0.0080638517 3.5069606e-08    3800.8828 
+    3270 0.0080642011 3.4787289e-08    3801.0402 
+    3280 0.0080645478 3.4526978e-08    3801.1962 
+    3290  0.008064892 3.4287819e-08    3801.3511 
+    3300 0.0080652339 3.4069042e-08     3801.505 
+    3310 0.0080655736 3.3869955e-08    3801.6578 
+    3320 0.0080659115 3.368994e-08    3801.8098 
+    3330 0.0080662477 3.3528444e-08     3801.961 
+    3340 0.0080665823 3.3384981e-08    3802.1115 
+    3350 0.0080669156 3.3259123e-08    3802.2613 
+    3360 0.0080672476 3.3150499e-08    3802.4106 
+    3370 0.0080675787 3.305879e-08    3802.5594 
+    3380  0.008067909 3.2983732e-08    3802.7078 
+    3390 0.0080682385 3.2925108e-08    3802.8559 
+    3400 0.0080685676 3.288275e-08    3803.0038 
+    3410 0.0080688963 3.2856537e-08    3803.1515 
+    3420 0.0080692248 3.2846395e-08    3803.2991 
+    3430 0.0080695532 3.2852293e-08    3803.4466 
+    3440 0.0080698819 3.2874247e-08    3803.5943 
+    3450 0.0080702108 3.2912319e-08     3803.742 
+    3460 0.0080705401 3.2966617e-08      3803.89 
+    3470 0.0080708701 3.3037293e-08    3804.0382 
+    3480 0.0080712008 3.312455e-08    3804.1868 
+    3490 0.0080715325 3.3228638e-08    3804.3358 
+    3500 0.0080718653 3.3349858e-08    3804.4853 
+    3510 0.0080721995 3.3488567e-08    3804.6355 
+    3520  0.008072535 3.3645172e-08    3804.7862 
+    3530 0.0080728723 3.3820145e-08    3804.9378 
+    3540 0.0080732113 3.4014016e-08    3805.0901 
+    3550 0.0080735524 3.4227383e-08    3805.2434 
+    3560 0.0080738957 3.4460914e-08    3805.3977 
+    3570 0.0080742414 3.4715354e-08    3805.5532 
+    3580 0.0080745898 3.4991532e-08    3805.7098 
+    3590 0.0080749411 3.5290364e-08    3805.8677 
+    3600 0.0080752954 3.5612865e-08    3806.0271 
+    3610 0.0080756531 3.5960156e-08     3806.188 
+    3620 0.0080760143 3.6333475e-08    3806.3505 
+    3630 0.0080763794 3.6734187e-08    3806.5148 
+    3640 0.0080767487 3.7163802e-08     3806.681 
+    3650 0.0080771224 3.7623985e-08    3806.8492 
+    3660 0.0080775008 3.8116577e-08    3807.0196 
+    3670 0.0080778843 3.8643614e-08    3807.1924 
+    3680 0.0080782733 3.9207349e-08    3807.3676 
+    3690  0.008078668 3.9810283e-08    3807.5455 
+    3700  0.008079069 4.0455191e-08    3807.7262 
+    3710 0.0080794766 4.114516e-08      3807.91 
+    3720 0.0080798913 4.1883634e-08    3808.0971 
+    3730 0.0080803137 4.2674459e-08    3808.2877 
+    3740 0.0080807442 4.3521941e-08     3808.482 
+    3750 0.0080811834 4.4430917e-08    3808.6803 
+    3760 0.0080816321 4.5406834e-08     3808.883 
+    3770 0.0080820908 4.6455843e-08    3809.0902 
+    3780 0.0080825604 4.7584918e-08    3809.3025 
+    3790 0.0080830416 4.8801987e-08    3809.5201 
+    3800 0.0080835355 5.0116105e-08    3809.7436 
+    3810 0.0080840429 5.1537653e-08    3809.9733 
+    3820 0.0080845652 5.3078583e-08    3810.2097 
+    3830 0.0080851034 5.4752728e-08    3810.4535 
+    3840  0.008085659 5.6576175e-08    3810.7054 
+    3850 0.0080862335 5.8567743e-08    3810.9659 
+    3860 0.0080868289 6.0749572e-08     3811.236 
+    3870  0.008087447 6.3147889e-08    3811.5166 
+    3880 0.0080880901 6.5793981e-08    3811.8087 
+    3890  0.008088761 6.8725458e-08    3812.1136 
+    3900 0.0080894626 7.1987928e-08    3812.4327 
+    3910 0.0080901986 7.5637206e-08    3812.7675 
+    3920  0.008090973 7.9742316e-08    3813.1201 
+    3930 0.0080917909 8.4389592e-08    3813.4926 
+    3940  0.008092658 8.9688414e-08    3813.8879 
+    3950 0.0080935816 9.5779352e-08    3814.3091 
+    3960 0.0080945703 1.0284601e-07    3814.7604 
+    3970 0.0080956349 1.1113264e-07    3815.2467 
+    3980 0.0080967891 1.2097115e-07    3815.7742 
+    3990 0.0080980502 1.3282379e-07    3816.3511 
+    4000 0.0080994413 1.4735308e-07    3816.9878 
+    4010 0.0081009931 1.6554202e-07    3817.6987 
+    4020 0.0081027486 1.8891116e-07    3818.5035 
+    4030 0.0081047696 2.1993774e-07    3819.4308 
+    4040 0.0081071501 2.6293325e-07     3820.524 
+    4050 0.0081100418 3.2608623e-07    3821.8531 
+    4060 0.0081137136 4.2695471e-07    3823.5422 
+    4070 0.0081187073 6.1068659e-07    3825.8415 
+    4080 0.0081263808 1.0353843e-06    3829.3781 
+    4090 0.0081421033 2.8175459e-06    3836.6316 
+    4100 0.0083319479 3.0660994e-05     3924.296 
+    4110 0.0086521081 2.4031675e-05    4072.0381 
+    4120 0.0089367803 5.8263834e-06    4203.2922 
+    4130 0.0089679114 1.6262217e-06    4217.6293 
+    4140 0.0089805825 9.6546502e-07    4223.4594 
+    4150 0.0089889356 7.1159925e-07    4227.3001 
+    4160 0.0089954101 5.8311893e-07    4230.2754 
+    4170 0.0090008803 5.1000973e-07    4232.7881 
+    4180 0.0090057682 4.6713078e-07    4235.0326 
+    4190 0.0090103206 4.4370361e-07    4237.1225 
+    4200 0.0090147071 4.3491502e-07    4239.1361 
+    4210 0.0090190645 4.3912951e-07    4241.1362 
+    4220 0.0090235243 4.570826e-07    4243.1834 
+    4230 0.0090282367 4.9222468e-07    4245.3469 
+    4240 0.0090334045 5.5254852e-07      4247.72 
+    4250 0.0090393478 6.5600428e-07    4250.4502 
+    4260 0.0090466656 8.4827393e-07    4253.8133 
+    4270 0.0090567641 1.2818738e-06     4258.457 
+    4280 0.0090746835 2.9033891e-06    4266.7027 
+    4290 0.0092346752 2.9451638e-05    4340.3839 
+    4300 0.0093466586 4.9023913e-06    4391.9319 
+    4310 0.0093992941 7.8400922e-06     4416.149 
+    4320 0.0097053159 4.3362296e-05    4556.9393 
+    4330  0.010037349 4.9648086e-05    4709.5604 
+    4340  0.010297354 8.8232096e-06    4828.9697 
+    4350  0.010503113 4.4016316e-05    4923.4016 
+    4360  0.010926633 4.2142313e-05     5117.622 
+    4370  0.011318805 4.0285407e-05    5297.2575 
+    4380  0.011746199 4.3755472e-05    5492.8047 
+    4390  0.012044606 2.1150168e-05    5629.1924 
+    4400   0.01231664 7.0784321e-06    5753.4243 
+    4410   0.01236554 3.954763e-06    5775.7358 
+    4420     0.012415 8.8450437e-06    5798.2999 
+    4430  0.012723996 3.6113036e-05    5939.2622 
+    4440  0.013109261 4.5827638e-05    6114.8493 
+    4450  0.013251276 2.6649019e-06    6179.5172 
+    4460  0.013269544 1.2200106e-06    6187.8251 
+    4470  0.013279619 8.155501e-07    6192.4028 
+    4480  0.013286853 6.3300974e-07    6195.6879 
+    4490   0.01329269 5.3347649e-07    6198.3373 
+    4500  0.013297735 4.7451627e-07    6200.6261 
+    4510  0.013302306 4.392029e-07    6202.6992 
+    4520  0.013306599 4.1982963e-07    6204.6461 
+    4530  0.013310757 4.1285331e-07    6206.5311 
+    4540  0.013314895 4.1710029e-07    6208.4074 
+    4550  0.013319128 4.3324769e-07    6210.3267 
+    4560  0.013323586 4.6410935e-07     6212.348 
+    4570  0.013328439 5.1597347e-07    6214.5493 
+    4580   0.01333395 6.0235495e-07    6217.0498 
+    4590  0.013340584 7.5537668e-07    6220.0613 
+    4600  0.013349342 1.0699582e-06    6224.0388 
+    4610  0.013363183  1.98365e-06    6230.3293 
+    4620  0.013404081 1.4367775e-05    6248.9319 
+    4630  0.013593325 3.787203e-06    6335.0239 
+    4640   0.01361833 1.6441528e-06    6346.3866 
+    4650  0.013632159 1.1592769e-06    6352.6667 
+    4660  0.013642828 9.8623051e-07    6357.5101 
+    4670  0.013652418 9.4451692e-07    6361.8626 
+    4680  0.013662041 1.0034733e-06    6366.2295 
+    4690  0.013672824 1.2061779e-06    6371.1243 
+    4700  0.013686941 1.780995e-06    6377.5343 
+    4710  0.013713088 4.7634009e-06    6389.4131 
+    4720  0.013968014 3.9765415e-05    6505.2802 
+    4730  0.014228787 6.2632217e-06    6623.7185 
+    4740  0.014278333 4.7934169e-06    6646.2018 
+    4750  0.014382212 5.1069055e-05    6693.3424 
+    4760  0.014525205 2.0381123e-06    6758.2178 
+    4770  0.014538504 8.2250651e-07    6764.2412 
+    4780  0.014544984 4.9114353e-07    6767.1723 
+    4790  0.014549144 3.4212232e-07    6769.0518 
+    4800  0.014552156 2.589287e-07    6770.4109 
+    4810  0.014554491 2.0641662e-07    6771.4633 
+    4820  0.014556384 1.7052382e-07     6772.315 
+    4830  0.014557966 1.4457875e-07    6773.0262 
+    4840  0.014559319 1.250293e-07    6773.6339 
+    4850  0.014560498  1.09819e-07    6774.1626 
+    4860  0.014561539 9.7678962e-08     6774.629 
+    4870   0.01456247 8.7785899e-08    6775.0453 
+    4880   0.01456331 7.9583482e-08    6775.4205 
+    4890  0.014564074 7.2682934e-08    6775.7613 
+    4900  0.014564773 6.6804784e-08    6776.0732 
+    4910  0.014565418 6.1743238e-08    6776.3601 
+    4920  0.014566015 5.7343571e-08    6776.6256 
+    4930  0.014566571 5.3487327e-08    6776.8723 
+    4940   0.01456709 5.0082359e-08    6777.1026 
+    4950  0.014567577 4.7055963e-08    6777.3183 
+    4960  0.014568035 4.4350048e-08     6777.521 
+    4970  0.014568467 4.1917669e-08     6777.712 
+    4980  0.014568876 3.9720495e-08    6777.8926 
+    4990  0.014569265 3.7726941e-08    6778.0636 
+    5000  0.014569634 3.5910753e-08    6778.2261 
+Loop time of 24.155 on 1 procs for 5000 steps with 32000 atoms
+
+Performance: 0.001 ns/day, 37368.951 hours/ns, 206.996 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 15.795     | 15.795     | 15.795     |   0.0 | 65.39
+Neigh   | 1.5182     | 1.5182     | 1.5182     |   0.0 |  6.29
+Comm    | 0.58555    | 0.58555    | 0.58555    |   0.0 |  2.42
+Output  | 0.0064323  | 0.0064323  | 0.0064323  |   0.0 |  0.03
+Modify  | 5.619      | 5.619      | 5.619      |   0.0 | 23.26
+Other   |            | 0.6313     |            |       |  2.61
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    13556 ave 13556 max 13556 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  576016 ave 576016 max 576016 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 576016
+Ave neighs/atom = 18.0005
+Neighbor list builds = 68
+Dangerous builds = 42
+Total wall time: 0:00:24
diff --git a/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.4 b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..e0f45ef46098581f16c6a606d33f7b61ad47aa33
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.g++.4
@@ -0,0 +1,597 @@
+LAMMPS (28 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Test case / example for fix electron/stopping
+# Perfect Si lattice with one primary knock-on atom.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 5.431
+Lattice spacing in x,y,z = 5.431 5.431 5.431
+
+region rbox block -10 10 -10 10 -10 10
+create_box 1 rbox
+Created orthogonal box = (-54.31 -54.31 -54.31) to (54.31 54.31 54.31)
+  1 by 2 by 2 MPI processor grid
+
+mass 1 28.0855
+
+create_atoms 1 box
+Created 32000 atoms
+  create_atoms CPU = 0.000856161 secs
+
+velocity all create 300 42534 mom yes rot yes
+
+group gPKA id 1
+1 atoms in group gPKA
+velocity gPKA set 1120 1620 389
+
+pair_style sw
+pair_coeff * * Si.sw Si
+Reading potential file Si.sw with DATE: 2007-06-11
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop
+fix fnve all nve
+
+thermo 10
+thermo_style custom step time dt f_fel
+
+#compute ek all ke/atom
+#dump mydump all custom 200 elstop.dump id x y z vx vy vz fx fy fz c_ek
+
+run 5000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.77118
+  ghost atom cutoff = 5.77118
+  binsize = 2.88559, bins = 38 38 38
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) fix electron/stopping, occasional, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 3.825 | 3.825 | 3.825 Mbytes
+Step Time Dt f_fel 
+       0            0  4.98128e-05            0 
+      10 0.00030141235 7.4131221e-06    143.83474 
+      20 0.00035951242 6.0314282e-06    171.53584 
+      30 0.00057457861 3.511731e-05    274.07067 
+      40 0.00086591115 5.8248574e-06    412.87352 
+      50 0.00090045749 2.102773e-06    429.31482 
+      60 0.00091828633 1.5369556e-06    437.79502 
+      70 0.00093306208 1.4645168e-06    444.82135 
+      80 0.00094861336 1.7491631e-06    452.21657 
+      90 0.00097033523 3.0804023e-06    462.54893 
+     100 0.0010792154 4.9075683e-05    514.37014 
+     110 0.0012080866 2.3201427e-06    575.68827 
+     120 0.0012239719 1.0507964e-06    583.23648 
+     130 0.0012325518 6.8263389e-07    587.30975 
+     140 0.0012385211 5.1201217e-07    590.14147 
+     150 0.0012431661 4.1521773e-07    592.34347 
+     160  0.001247021 3.5379338e-07    594.16984 
+     170 0.0012503586 3.1202939e-07    595.75031 
+     180 0.0012533374 2.8236002e-07    597.16021 
+     190 0.0012560582 2.6071816e-07    598.44745 
+     200 0.0012585895 2.4474279e-07    599.64465 
+     210  0.001260981 2.3298831e-07     600.7754 
+     220 0.0012632704 2.2454021e-07    601.85763 
+     230  0.001265488 2.1881458e-07    602.90571 
+     240 0.0012676591 2.154488e-07    603.93173 
+     250 0.0012698064 2.1424147e-07    604.94641 
+     260 0.0012719511 2.1512161e-07     605.9598 
+     270 0.0012741141 2.1813836e-07    606.98189 
+     280 0.0012763174 2.2346783e-07    608.02314 
+     290 0.0012785856 2.3143942e-07    609.09518 
+     300 0.0012809473 2.4258888e-07     610.2116 
+     310 0.0012834376 2.5775518e-07    611.38916 
+     320 0.0012861023 2.7825685e-07    612.64953 
+     330 0.0012890034 3.062254e-07    614.02218 
+     340 0.0012922301 3.4527805e-07    615.54956 
+     350 0.0012959196 4.0200263e-07    617.29679 
+     360    0.0013003 4.8966484e-07    619.37233 
+     370 0.0013057965 6.3923294e-07     621.9783 
+     380   0.00131335 9.423535e-07    625.56194 
+     390 0.0013258073 1.8277087e-06    631.47661 
+     400 0.0013653313 1.4985239e-05    650.25939 
+     410 0.0016927117 4.5643592e-05    805.84388 
+     420  0.002085671 2.5698185e-05    992.40957 
+     430 0.0021935861 5.3102217e-06     1043.597 
+     440 0.0022614637 1.5788858e-05    1075.7807 
+     450 0.0025463923 1.6989456e-05    1210.8535 
+     460 0.0029095455 3.9205279e-05    1382.8591 
+     470  0.003309122 3.8882183e-05    1571.9128 
+     480 0.0037129772 4.0573389e-05    1762.7749 
+     490  0.004120209 2.7525742e-05    1955.0148 
+     500 0.0042711049 1.9373612e-05    2026.1805 
+     510 0.0045860203 2.4773305e-05    2174.6208 
+     520  0.004995259 3.8017877e-05    2367.3335 
+     530 0.0051457762 5.4205615e-06    2438.1475 
+     540  0.005203221 8.8625579e-06    2465.1577 
+     550 0.0054221421 5.7304442e-06    2568.0888 
+     560 0.0054524345 1.5599386e-06    2582.3169 
+     570 0.0054645073 9.1093243e-07    2587.9819 
+     580 0.0054723338 6.6033575e-07    2591.6518 
+     590 0.0054782965 5.3155858e-07     2594.446 
+     600  0.005483241 4.5581839e-07    2596.7619 
+     610 0.0054875675 4.0821885e-07    2598.7875 
+     620 0.0054915013 3.7775507e-07    2600.6287 
+     630 0.0054951861 3.5898561e-07    2602.3529 
+     640 0.0054987249 3.4911444e-07    2604.0086 
+     650 0.0055021998 3.4682698e-07    2605.6342 
+     660 0.0055056844 3.5182676e-07    2607.2643 
+     670 0.0055092538 3.6473743e-07    2608.9342 
+     680 0.0055129936 3.8730595e-07    2610.6841 
+     690 0.0055170145 4.2303997e-07     2612.566 
+     700 0.0055214749 4.7876507e-07    2614.6542 
+     710 0.0055266296 5.6863699e-07    2617.0684 
+     720 0.0055329452 7.2626141e-07    2620.0278 
+     730 0.0055414528 1.0527596e-06    2624.0166 
+     740 0.0055553208 2.0371511e-06     2630.523 
+     750 0.0056023478 2.2133456e-05    2652.6057 
+     760 0.0059007346 3.8610962e-05    2792.7168 
+     770 0.0062508505 3.9428337e-05    2956.9697 
+     780 0.0063682296 2.1223153e-06    3011.9927 
+     790 0.0063824196 9.0656948e-07    3018.6346 
+     800 0.0063896741 5.6137676e-07    3022.0266 
+     810 0.0063944906 4.0276465e-07    3024.2763 
+     820 0.0063980771 3.1284015e-07    3025.9499 
+     830 0.0064009279 2.5537602e-07    3027.2789 
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+    3940 0.0090364872 3.4036714e-07    4249.7505 
+    3950 0.0090401038 3.9124064e-07    4251.4133 
+    3960 0.0090443343 4.6822852e-07    4253.3593 
+    3970 0.0090495296 5.9498137e-07    4255.7504 
+    3980 0.0090564177 8.3552398e-07    4258.9229 
+    3990 0.0090669429 1.4384739e-06     4263.774 
+    4000 0.0090904831 4.9111984e-06    4274.6331 
+    4010 0.0092929124 8.3135371e-06    4368.0633 
+    4020 0.0093414419 3.1334206e-06    4390.4447 
+    4030 0.0093714047 3.1966251e-06    4404.2581 
+    4040 0.0094176451 9.8265197e-06    4425.5788 
+    4050 0.0097772862 4.2787238e-05    4591.3956 
+    4060  0.010043914 5.0703357e-05    4714.2148 
+    4070  0.010275503 5.9586189e-06    4820.8179 
+    4080  0.010329372 6.4730027e-06    4845.5948 
+    4090  0.010580719 3.2675549e-05    4961.1991 
+    4100   0.01097933 4.1824022e-05    5144.3777 
+    4110  0.011375225 4.4528389e-05    5326.1041 
+    4120  0.011791986 4.4629128e-05    5517.1914 
+    4130  0.012199057 3.8467532e-05    5703.6209 
+    4140  0.012388718 1.6598211e-05    5790.3997 
+    4150  0.012719145 2.6617697e-05    5941.4863 
+    4160  0.013138874 3.9714695e-05    6133.2127 
+    4170  0.013296898 5.7028372e-06    6205.3279 
+    4180  0.013359491 1.0623338e-05    6233.8756 
+    4190  0.013580279 4.9259166e-06    6334.5676 
+    4200  0.013608204 1.5476759e-06    6347.2885 
+    4210  0.013620408 9.4152281e-07    6352.8431 
+    4220  0.013628594 7.0110358e-07    6356.5664 
+    4230   0.01363499 5.7777895e-07     6359.474 
+    4240  0.013640419 5.071712e-07     6361.941 
+    4250  0.013645286 4.6571283e-07    6364.1515 
+    4260  0.013649829 4.4320314e-07    6366.2145 
+    4270  0.013654213 4.3508698e-07    6368.2055 
+    4280  0.013658575 4.3986766e-07     6370.186 
+    4290  0.013663045 4.5837677e-07    6372.2157 
+    4300  0.013667773 4.9416073e-07     6374.363 
+    4310  0.013672963 5.5535604e-07    6376.7211 
+    4320   0.01367894 6.6021298e-07    6379.4372 
+    4330  0.013686311 8.5526524e-07    6382.7882 
+    4340  0.013696507 1.296644e-06    6387.4262 
+    4350  0.013714701 2.9652221e-06    6395.7088 
+    4360  0.013881439 3.5899661e-05    6471.6738 
+    4370  0.014196617 3.1253608e-05    6615.1811 
+    4380  0.014504048 7.0683429e-06    6755.0394 
+    4390  0.014536871 1.4515319e-06    6769.9538 
+    4400  0.014547629 7.6742092e-07    6774.8365 
+    4410   0.01455401 5.1561918e-07    6777.7294 
+    4420  0.014558528 3.8717171e-07    6779.7758 
+    4430  0.014562024 3.1004583e-07    6781.3579 
+    4440  0.014564879 2.5893679e-07    6782.6486 
+    4450  0.014567296 2.2275131e-07    6783.7406 
+    4460  0.014569397 1.9588676e-07    6784.6888 
+    4470  0.014571258 1.7521879e-07    6785.5285 
+    4480  0.014572934 1.5887218e-07    6786.2838 
+    4490  0.014574461 1.4565562e-07    6786.9717 
+    4500  0.014575867 1.3477717e-07    6787.6046 
+    4510  0.014577173 1.2569059e-07    6788.1919 
+    4520  0.014578394 1.1800737e-07     6788.741 
+    4530  0.014579544 1.1144387e-07    6789.2576 
+    4540  0.014580632 1.0578845e-07    6789.7464 
+    4550  0.014581667 1.0088007e-07    6790.2111 
+    4560  0.014582656 9.6594222e-08    6790.6548 
+    4570  0.014583605 9.283317e-08    6791.0802 
+    4580  0.014584518 8.9519251e-08    6791.4895 
+    4590    0.0145854 8.6590045e-08    6791.8845 
+    4600  0.014586254 8.3994895e-08     6792.267 
+    4610  0.014587083 8.1692339e-08    6792.6383 
+    4620  0.014587891 7.9648193e-08    6792.9997 
+    4630  0.014588679 7.7834097e-08    6793.3523 
+    4640   0.01458945 7.6226411e-08    6793.6971 
+    4650  0.014590205 7.4805352e-08     6794.035 
+    4660  0.014590948 7.3554327e-08    6794.3668 
+    4670  0.014591678 7.2459408e-08    6794.6932 
+    4680  0.014592398 7.1508917e-08     6795.015 
+    4690   0.01459311 7.0693097e-08    6795.3328 
+    4700  0.014593813 7.0003852e-08    6795.6471 
+    4710  0.014594511 6.9434537e-08    6795.9585 
+    4720  0.014595203 6.8979799e-08    6796.2676 
+    4730  0.014595891 6.8635445e-08    6796.5748 
+    4740  0.014596576 6.839835e-08    6796.8807 
+    4750   0.01459726 6.8266383e-08    6797.1857 
+    4760  0.014597942 6.823836e-08    6797.4903 
+    4770  0.014598625 6.8314021e-08     6797.795 
+    4780  0.014599309 6.849402e-08    6798.1003 
+    4790  0.014599995 6.8779943e-08    6798.4065 
+    4800  0.014600684 6.9174339e-08    6798.7143 
+    4810  0.014601378 6.9680779e-08    6799.0241 
+    4820  0.014602078 7.0303936e-08    6799.3364 
+    4830  0.014602784 7.1049693e-08    6799.6517 
+    4840  0.014603498 7.1925284e-08    6799.9707 
+    4850  0.014604222 7.2939475e-08     6800.294 
+    4860  0.014604956 7.4102791e-08    6800.6221 
+    4870  0.014605703 7.5427802e-08    6800.9557 
+    4880  0.014606464 7.6929481e-08    6801.2958 
+    4890  0.014607241 7.8625665e-08     6801.643 
+    4900  0.014608036 8.0537626e-08    6801.9983 
+    4910   0.01460885 8.2690811e-08    6802.3627 
+    4920  0.014609688 8.5115787e-08    6802.7374 
+    4930  0.014610551 8.7849474e-08    6803.1237 
+    4940  0.014611443 9.0936752e-08    6803.5231 
+    4950  0.014612368 9.4432608e-08    6803.9372 
+    4960   0.01461333 9.8405013e-08    6804.3681 
+    4970  0.014614334 1.0293885e-07    6804.8181 
+    4980  0.014615386 1.0814135e-07    6805.2899 
+    4990  0.014616494 1.1414984e-07    6805.7869 
+    5000  0.014617666 1.2114278e-07     6806.313 
+Loop time of 9.26846 on 4 procs for 5000 steps with 32000 atoms
+
+Performance: 0.006 ns/day, 4250.474 hours/ns, 539.464 timesteps/s
+96.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.6281     | 4.7789     | 5.1937     |  11.0 | 51.56
+Neigh   | 0.40488    | 0.41576    | 0.43895    |   2.1 |  4.49
+Comm    | 0.8478     | 1.2799     | 1.4349     |  22.1 | 13.81
+Output  | 0.0048099  | 0.016429   | 0.050251   |  15.2 |  0.18
+Modify  | 2.1042     | 2.1347     | 2.1706     |   1.6 | 23.03
+Other   |            | 0.6427     |            |       |  6.93
+
+Nlocal:    8000 ave 8033 max 7977 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Nghost:    6061.25 ave 6085 max 6028 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  144002 ave 144601 max 143596 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+
+Total # of neighbors = 576008
+Ave neighs/atom = 18.0003
+Neighbor list builds = 67
+Dangerous builds = 38
+Total wall time: 0:00:09
diff --git a/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.1 b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..a3370204b77f41d35fe488cb7b8e1c0185d6eee9
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.1
@@ -0,0 +1,196 @@
+LAMMPS (28 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Test case / example for fix electron/stopping
+# One fast atom, no other interactions.
+# Stopping only applied in a smaller box in the middle.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 1
+Lattice spacing in x,y,z = 1 1 1
+
+region rbox block -100 100 -100 100 -100 100
+region rsmallbox block -90 90 -90 90 -90 90
+
+create_box 1 rbox
+Created orthogonal box = (-100 -100 -100) to (100 100 100)
+  1 by 1 by 1 MPI processor grid
+
+mass 1 28.0855
+
+create_atoms 1 single 0 0 0
+Created 1 atoms
+  create_atoms CPU = 4.05312e-06 secs
+velocity all set 1120 1620 389
+
+pair_style zero 1
+pair_coeff * * 1
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop minneigh 0 region rsmallbox
+fix fnve all nve
+
+compute ek all ke/atom
+compute ektot all reduce sum c_ek
+
+thermo 100
+thermo_style custom step time dt f_fel c_ektot
+
+#dump mydump all custom 200 elstop.only.dump id x y z vx vy vz fx fy fz c_ek
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3
+  ghost atom cutoff = 3
+  binsize = 1.5, bins = 134 134 134
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix electron/stopping, occasional
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 13.31 | 13.31 | 13.31 Mbytes
+Step Time Dt f_fel c_ektot 
+       0            0  4.98128e-05            0    5865.5525 
+     100 0.0049972222 5.0137252e-05    76.048699     5789.883 
+     200  0.010027278 5.0467945e-05    151.67477    5714.2548 
+     300  0.015090636 5.0803375e-05     226.8806    5639.0469 
+     400  0.020187777 5.1143663e-05     301.6685    5564.2569 
+     500  0.025319192 5.1488933e-05    376.04082    5489.8825 
+     600  0.030485386 5.1839314e-05    449.99984    5415.9215 
+     700  0.035686876 5.2194938e-05    523.54788    5342.3714 
+     800  0.040924195 5.2555944e-05    596.68721      5269.23 
+     900  0.046197886 5.2922477e-05    669.42011    5196.4951 
+    1000   0.05150851 5.3294685e-05    741.74883    5124.1643 
+    1100  0.056856642 5.3672723e-05    813.67563    5052.2355 
+    1200  0.062229338 5.3731851e-05    824.43012    5041.1224 
+    1300  0.067602524 5.3731851e-05    824.43012    5041.1224 
+    1400  0.072978188 5.387166e-05    850.91948    5014.9907 
+    1500   0.07838447 5.425887e-05    922.23961    4943.6685 
+    1600   0.08382978 5.4652329e-05    993.16341    4872.7428 
+    1700  0.089299984 5.4705935e-05    1002.3545     4863.198 
+    1800  0.094770578 5.4705935e-05    1002.3545     4863.198 
+    1900   0.10024117 5.4705935e-05    1002.3545     4863.198 
+    2000   0.10571333 5.4819488e-05    1022.8338    4843.0716 
+    2100   0.11121515 5.5222127e-05    1093.1986    4772.7048 
+    2200   0.11675757 5.5631458e-05    1163.1724    4702.7291 
+    2300   0.12234126 5.6047675e-05    1232.7573    4633.1422 
+    2400   0.12796692 5.6470985e-05    1301.9555     4563.942 
+    2500   0.13363527 5.6901598e-05    1370.7692    4495.1264 
+    2600   0.13934706 5.7339739e-05    1439.2006    4426.6932 
+    2700   0.14510304 5.7785637e-05    1507.2516    4358.6403 
+    2800     0.150904 5.8239536e-05    1574.9245    4290.9655 
+    2900   0.15675076 5.8701688e-05    1642.2213    4223.6668 
+    3000   0.16264416 5.9172358e-05    1709.1441    4156.7422 
+    3100   0.16858505 5.9651822e-05     1775.695    4090.1894 
+    3200   0.17457434 6.0140369e-05    1841.8761    4024.0064 
+    3300   0.18061294 6.0638302e-05    1907.6894    3958.1913 
+    3400   0.18669814 6.0949329e-05    1947.6558    3917.8967 
+    3500   0.19279307 6.0949329e-05    1947.6558    3917.8967 
+    3600     0.198888 6.0949329e-05    1947.6558    3917.8967 
+    3700   0.20498294 6.0949329e-05    1947.6558    3917.8967 
+    3800   0.21107787 6.0949329e-05    1947.6558    3917.8967 
+    3900    0.2171728 6.0949329e-05    1947.6558    3917.8967 
+    4000   0.22326773 6.0949329e-05    1947.6558    3917.8967 
+    4100   0.22936267 6.0949329e-05    1947.6558    3917.8967 
+    4200    0.2354576 6.0949329e-05    1947.6558    3917.8967 
+    4300   0.24155253 6.0949329e-05    1947.6558    3917.8967 
+    4400   0.24764747 6.0949329e-05    1947.6558    3917.8967 
+    4500    0.2537424 6.0949329e-05    1947.6558    3917.8967 
+    4600   0.25983733 6.0949329e-05    1947.6558    3917.8967 
+    4700   0.26593227 6.0949329e-05    1947.6558    3917.8967 
+    4800    0.2720272 6.0949329e-05    1947.6558    3917.8967 
+    4900   0.27812213 6.0949329e-05    1947.6558    3917.8967 
+    5000   0.28421706 6.0949329e-05    1947.6558    3917.8967 
+    5100     0.290312 6.0949329e-05    1947.6558    3917.8967 
+    5200   0.29640693 6.0949329e-05    1947.6558    3917.8967 
+    5300   0.30250186 6.0949329e-05    1947.6558    3917.8967 
+    5400    0.3085968 6.0949329e-05    1947.6558    3917.8967 
+    5500   0.31469173 6.0949329e-05    1947.6558    3917.8967 
+    5600   0.32078666 6.0949329e-05    1947.6558    3917.8967 
+    5700   0.32688159 6.0949329e-05    1947.6558    3917.8967 
+    5800   0.33297653 6.0949329e-05    1947.6558    3917.8967 
+    5900   0.33907146 6.0949329e-05    1947.6558    3917.8967 
+    6000   0.34516639 6.0949329e-05    1947.6558    3917.8967 
+    6100   0.35126133 6.0949329e-05    1947.6558    3917.8967 
+    6200   0.35735626 6.0949329e-05    1947.6558    3917.8967 
+    6300   0.36345119 6.0949329e-05    1947.6558    3917.8967 
+    6400   0.36954612 6.0949329e-05    1947.6558    3917.8967 
+    6500   0.37564106 6.0949329e-05    1947.6558    3917.8967 
+    6600   0.38173599 6.0949329e-05    1947.6558    3917.8967 
+    6700   0.38783092 6.0949329e-05    1947.6558    3917.8967 
+    6800   0.39392586 6.0949329e-05    1947.6558    3917.8967 
+    6900   0.40002079 6.0949329e-05    1947.6558    3917.8967 
+    7000   0.40611572 6.0949329e-05    1947.6558    3917.8967 
+    7100   0.41221066 6.0949329e-05    1947.6558    3917.8967 
+    7200   0.41830559 6.0949329e-05    1947.6558    3917.8967 
+    7300   0.42440052 6.0949329e-05    1947.6558    3917.8967 
+    7400   0.43049545 6.0949329e-05    1947.6558    3917.8967 
+    7500   0.43659039 6.0949329e-05    1947.6558    3917.8967 
+    7600   0.44268532 6.0949329e-05    1947.6558    3917.8967 
+    7700   0.44878025 6.0949329e-05    1947.6558    3917.8967 
+    7800   0.45487519 6.0949329e-05    1947.6558    3917.8967 
+    7900   0.46097012 6.0949329e-05    1947.6558    3917.8967 
+    8000   0.46706505 6.0949329e-05    1947.6558    3917.8967 
+    8100   0.47315998 6.0949329e-05    1947.6558    3917.8967 
+    8200   0.47925492 6.0949329e-05    1947.6558    3917.8967 
+    8300   0.48534985 6.0949329e-05    1947.6558    3917.8967 
+    8400   0.49144478 6.0949329e-05    1947.6558    3917.8967 
+    8500   0.49753972 6.0949329e-05    1947.6558    3917.8967 
+    8600   0.50363465 6.0949329e-05    1947.6558    3917.8967 
+    8700   0.50972958 6.0949329e-05    1947.6558    3917.8967 
+    8800   0.51582452 6.0949329e-05    1947.6558    3917.8967 
+    8900   0.52191945 6.0949329e-05    1947.6558    3917.8967 
+    9000   0.52801438 6.0949329e-05    1947.6558    3917.8967 
+    9100   0.53410931 6.0949329e-05    1947.6558    3917.8967 
+    9200   0.54020425 6.0949329e-05    1947.6558    3917.8967 
+    9300   0.54629918 6.0949329e-05    1947.6558    3917.8967 
+    9400   0.55239411 6.0949329e-05    1947.6558    3917.8967 
+    9500   0.55848905 6.0949329e-05    1947.6558    3917.8967 
+    9600   0.56458398 6.0949329e-05    1947.6558    3917.8967 
+    9700   0.57067891 6.0949329e-05    1947.6558    3917.8967 
+    9800   0.57677384 6.0949329e-05    1947.6558    3917.8967 
+    9900   0.58286878 6.0949329e-05    1947.6558    3917.8967 
+   10000   0.58896371 6.0949329e-05    1947.6558    3917.8967 
+Loop time of 1.25184 on 1 procs for 10000 steps with 1 atoms
+
+Performance: 42.066 ns/day, 0.571 hours/ns, 7988.216 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0005827  | 0.0005827  | 0.0005827  |   0.0 |  0.05
+Neigh   | 1.2134     | 1.2134     | 1.2134     |   0.0 | 96.93
+Comm    | 0.02822    | 0.02822    | 0.02822    |   0.0 |  2.25
+Output  | 0.0017159  | 0.0017159  | 0.0017159  |   0.0 |  0.14
+Modify  | 0.0052147  | 0.0052147  | 0.0052147  |   0.0 |  0.42
+Other   |            | 0.002664   |            |       |  0.21
+
+Nlocal:    1 ave 1 max 1 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 0
+Ave neighs/atom = 0
+Neighbor list builds = 960
+Dangerous builds = 568
+Total wall time: 0:00:01
diff --git a/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.4 b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..e8bd45b20f13f811f4f72ab2344d020be0b4078d
--- /dev/null
+++ b/examples/USER/misc/electron_stopping/log.20Mar19.elstop.only.g++.4
@@ -0,0 +1,196 @@
+LAMMPS (28 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Test case / example for fix electron/stopping
+# One fast atom, no other interactions.
+# Stopping only applied in a smaller box in the middle.
+#
+# Also uses fix dt/reset, as one should when energies are high
+# enough to require electronic stopping.
+
+units metal
+boundary p p p
+timestep 0.0001
+
+lattice fcc 1
+Lattice spacing in x,y,z = 1 1 1
+
+region rbox block -100 100 -100 100 -100 100
+region rsmallbox block -90 90 -90 90 -90 90
+
+create_box 1 rbox
+Created orthogonal box = (-100 -100 -100) to (100 100 100)
+  1 by 2 by 2 MPI processor grid
+
+mass 1 28.0855
+
+create_atoms 1 single 0 0 0
+Created 1 atoms
+  create_atoms CPU = 1.19209e-05 secs
+velocity all set 1120 1620 389
+
+pair_style zero 1
+pair_coeff * * 1
+
+fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
+fix fel all electron/stopping 1.0 Si.Si.elstop minneigh 0 region rsmallbox
+fix fnve all nve
+
+compute ek all ke/atom
+compute ektot all reduce sum c_ek
+
+thermo 100
+thermo_style custom step time dt f_fel c_ektot
+
+#dump mydump all custom 200 elstop.only.dump id x y z vx vy vz fx fy fz c_ek
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3
+  ghost atom cutoff = 3
+  binsize = 1.5, bins = 134 134 134
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix electron/stopping, occasional
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.637 | 4.2 | 5.887 Mbytes
+Step Time Dt f_fel c_ektot 
+       0            0  4.98128e-05            0    5865.5525 
+     100 0.0049972222 5.0137252e-05    76.048699     5789.883 
+     200  0.010027278 5.0467945e-05    151.67477    5714.2548 
+     300  0.015090636 5.0803375e-05     226.8806    5639.0469 
+     400  0.020187777 5.1143663e-05     301.6685    5564.2569 
+     500  0.025319192 5.1488933e-05    376.04082    5489.8825 
+     600  0.030485386 5.1839314e-05    449.99984    5415.9215 
+     700  0.035686876 5.2194938e-05    523.54788    5342.3714 
+     800  0.040924195 5.2555944e-05    596.68721      5269.23 
+     900  0.046197886 5.2922477e-05    669.42011    5196.4951 
+    1000   0.05150851 5.3294685e-05    741.74883    5124.1643 
+    1100  0.056856642 5.3672723e-05    813.67563    5052.2355 
+    1200  0.062229338 5.3731851e-05    824.43012    5041.1224 
+    1300  0.067602524 5.3731851e-05    824.43012    5041.1224 
+    1400  0.072978188 5.387166e-05    850.91948    5014.9907 
+    1500   0.07838447 5.425887e-05    922.23961    4943.6685 
+    1600   0.08382978 5.4652329e-05    993.16341    4872.7428 
+    1700  0.089299984 5.4705935e-05    1002.3545     4863.198 
+    1800  0.094770578 5.4705935e-05    1002.3545     4863.198 
+    1900   0.10024117 5.4705935e-05    1002.3545     4863.198 
+    2000   0.10571333 5.4819488e-05    1022.8338    4843.0716 
+    2100   0.11121515 5.5222127e-05    1093.1986    4772.7048 
+    2200   0.11675757 5.5631458e-05    1163.1724    4702.7291 
+    2300   0.12234126 5.6047675e-05    1232.7573    4633.1422 
+    2400   0.12796692 5.6470985e-05    1301.9555     4563.942 
+    2500   0.13363527 5.6901598e-05    1370.7692    4495.1264 
+    2600   0.13934706 5.7339739e-05    1439.2006    4426.6932 
+    2700   0.14510304 5.7785637e-05    1507.2516    4358.6403 
+    2800     0.150904 5.8239536e-05    1574.9245    4290.9655 
+    2900   0.15675076 5.8701688e-05    1642.2213    4223.6668 
+    3000   0.16264416 5.9172358e-05    1709.1441    4156.7422 
+    3100   0.16858505 5.9651822e-05     1775.695    4090.1894 
+    3200   0.17457434 6.0140369e-05    1841.8761    4024.0064 
+    3300   0.18061294 6.0638302e-05    1907.6894    3958.1913 
+    3400   0.18669814 6.0949329e-05    1947.6558    3917.8967 
+    3500   0.19279307 6.0949329e-05    1947.6558    3917.8967 
+    3600     0.198888 6.0949329e-05    1947.6558    3917.8967 
+    3700   0.20498294 6.0949329e-05    1947.6558    3917.8967 
+    3800   0.21107787 6.0949329e-05    1947.6558    3917.8967 
+    3900    0.2171728 6.0949329e-05    1947.6558    3917.8967 
+    4000   0.22326773 6.0949329e-05    1947.6558    3917.8967 
+    4100   0.22936267 6.0949329e-05    1947.6558    3917.8967 
+    4200    0.2354576 6.0949329e-05    1947.6558    3917.8967 
+    4300   0.24155253 6.0949329e-05    1947.6558    3917.8967 
+    4400   0.24764747 6.0949329e-05    1947.6558    3917.8967 
+    4500    0.2537424 6.0949329e-05    1947.6558    3917.8967 
+    4600   0.25983733 6.0949329e-05    1947.6558    3917.8967 
+    4700   0.26593227 6.0949329e-05    1947.6558    3917.8967 
+    4800    0.2720272 6.0949329e-05    1947.6558    3917.8967 
+    4900   0.27812213 6.0949329e-05    1947.6558    3917.8967 
+    5000   0.28421706 6.0949329e-05    1947.6558    3917.8967 
+    5100     0.290312 6.0949329e-05    1947.6558    3917.8967 
+    5200   0.29640693 6.0949329e-05    1947.6558    3917.8967 
+    5300   0.30250186 6.0949329e-05    1947.6558    3917.8967 
+    5400    0.3085968 6.0949329e-05    1947.6558    3917.8967 
+    5500   0.31469173 6.0949329e-05    1947.6558    3917.8967 
+    5600   0.32078666 6.0949329e-05    1947.6558    3917.8967 
+    5700   0.32688159 6.0949329e-05    1947.6558    3917.8967 
+    5800   0.33297653 6.0949329e-05    1947.6558    3917.8967 
+    5900   0.33907146 6.0949329e-05    1947.6558    3917.8967 
+    6000   0.34516639 6.0949329e-05    1947.6558    3917.8967 
+    6100   0.35126133 6.0949329e-05    1947.6558    3917.8967 
+    6200   0.35735626 6.0949329e-05    1947.6558    3917.8967 
+    6300   0.36345119 6.0949329e-05    1947.6558    3917.8967 
+    6400   0.36954612 6.0949329e-05    1947.6558    3917.8967 
+    6500   0.37564106 6.0949329e-05    1947.6558    3917.8967 
+    6600   0.38173599 6.0949329e-05    1947.6558    3917.8967 
+    6700   0.38783092 6.0949329e-05    1947.6558    3917.8967 
+    6800   0.39392586 6.0949329e-05    1947.6558    3917.8967 
+    6900   0.40002079 6.0949329e-05    1947.6558    3917.8967 
+    7000   0.40611572 6.0949329e-05    1947.6558    3917.8967 
+    7100   0.41221066 6.0949329e-05    1947.6558    3917.8967 
+    7200   0.41830559 6.0949329e-05    1947.6558    3917.8967 
+    7300   0.42440052 6.0949329e-05    1947.6558    3917.8967 
+    7400   0.43049545 6.0949329e-05    1947.6558    3917.8967 
+    7500   0.43659039 6.0949329e-05    1947.6558    3917.8967 
+    7600   0.44268532 6.0949329e-05    1947.6558    3917.8967 
+    7700   0.44878025 6.0949329e-05    1947.6558    3917.8967 
+    7800   0.45487519 6.0949329e-05    1947.6558    3917.8967 
+    7900   0.46097012 6.0949329e-05    1947.6558    3917.8967 
+    8000   0.46706505 6.0949329e-05    1947.6558    3917.8967 
+    8100   0.47315998 6.0949329e-05    1947.6558    3917.8967 
+    8200   0.47925492 6.0949329e-05    1947.6558    3917.8967 
+    8300   0.48534985 6.0949329e-05    1947.6558    3917.8967 
+    8400   0.49144478 6.0949329e-05    1947.6558    3917.8967 
+    8500   0.49753972 6.0949329e-05    1947.6558    3917.8967 
+    8600   0.50363465 6.0949329e-05    1947.6558    3917.8967 
+    8700   0.50972958 6.0949329e-05    1947.6558    3917.8967 
+    8800   0.51582452 6.0949329e-05    1947.6558    3917.8967 
+    8900   0.52191945 6.0949329e-05    1947.6558    3917.8967 
+    9000   0.52801438 6.0949329e-05    1947.6558    3917.8967 
+    9100   0.53410931 6.0949329e-05    1947.6558    3917.8967 
+    9200   0.54020425 6.0949329e-05    1947.6558    3917.8967 
+    9300   0.54629918 6.0949329e-05    1947.6558    3917.8967 
+    9400   0.55239411 6.0949329e-05    1947.6558    3917.8967 
+    9500   0.55848905 6.0949329e-05    1947.6558    3917.8967 
+    9600   0.56458398 6.0949329e-05    1947.6558    3917.8967 
+    9700   0.57067891 6.0949329e-05    1947.6558    3917.8967 
+    9800   0.57677384 6.0949329e-05    1947.6558    3917.8967 
+    9900   0.58286878 6.0949329e-05    1947.6558    3917.8967 
+   10000   0.58896371 6.0949329e-05    1947.6558    3917.8967 
+Loop time of 1.38891 on 4 procs for 10000 steps with 1 atoms
+
+Performance: 37.915 ns/day, 0.633 hours/ns, 7199.876 timesteps/s
+94.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0004971  | 0.00060463 | 0.00069618 |   0.0 |  0.04
+Neigh   | 1.1005     | 1.1507     | 1.2839     |   7.2 | 82.85
+Comm    | 0.025918   | 0.026382   | 0.027041   |   0.3 |  1.90
+Output  | 0.0016336  | 0.005001   | 0.01507    |   8.2 |  0.36
+Modify  | 0.059378   | 0.20196    | 0.25453    |  18.3 | 14.54
+Other   |            | 0.00422    |            |       |  0.30
+
+Nlocal:    0.25 ave 1 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 0
+Ave neighs/atom = 0
+Neighbor list builds = 960
+Dangerous builds = 568
+Total wall time: 0:00:01
diff --git a/examples/USER/misc/kolmogorov_crespi_full/CH.rebo b/examples/USER/misc/kolmogorov_crespi_full/CH.rebo
new file mode 120000
index 0000000000000000000000000000000000000000..c5a6a40100959ab98c805328da8f63603b0f3cc7
--- /dev/null
+++ b/examples/USER/misc/kolmogorov_crespi_full/CH.rebo
@@ -0,0 +1 @@
+../../../../potentials/CH.rebo
\ No newline at end of file
diff --git a/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene b/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene
index 63ac92cb052040056eb5e6d38991abf738787056..c3e59337debf13ac713f17e1ea8e45d3f2580a26 100644
--- a/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene
+++ b/examples/USER/misc/kolmogorov_crespi_full/in.bilayer-graphene
@@ -18,7 +18,7 @@ group adsorbate type 2
 ######################## Potential defition ########################
 pair_style  hybrid/overlay  rebo  kolmogorov/crespi/full 16.0
 ####################################################################
-pair_coeff  * * rebo                     CH.airebo      NULL C  # chemical
+pair_coeff  * * rebo                     CH.rebo      NULL C  # chemical
 pair_coeff  * * kolmogorov/crespi/full   CC.KC-full     C    C  # long range
 ####################################################################
 # Neighbor update settings
diff --git a/examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.1 b/examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1
similarity index 59%
rename from examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.1
rename to examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1
index a06b3effdd6ec44e877c7d9c03238d9f47d7aac5..c74f9956a24944d1e6f0da5cb7dc53ccc61390a7 100644
--- a/examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.1
+++ b/examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (8 Mar 2018)
+LAMMPS (5 Jun 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # Initialization
 units           metal
@@ -21,6 +22,8 @@ read_data       Bi_gr_AB_stack_2L_noH_300K.data
   0 = max # of 1-3 neighbors
   0 = max # of 1-4 neighbors
   1 = max # of special neighbors
+  special bonds CPU = 0.000353813 secs
+  read_data CPU = 0.0043292 secs
 mass            1 12.0107   # carbon mass (g/mole) | membrane
 mass            2 12.0107   # carbon mass (g/mole) | adsorbate
 # Separate atom groups
@@ -32,8 +35,8 @@ group adsorbate type 2
 ######################## Potential defition ########################
 pair_style  hybrid/overlay  rebo  kolmogorov/crespi/full 16.0
 ####################################################################
-pair_coeff  * * rebo                     CH.airebo      NULL C  # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * rebo                     CH.rebo      NULL C  # chemical
+Reading potential file CH.rebo with DATE: 2018-7-3
 pair_coeff  * * kolmogorov/crespi/full   CC.KC-full     C    C  # long range
 ####################################################################
 # Neighbor update settings
@@ -92,32 +95,32 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 16.96 | 16.96 | 16.96 Mbytes
 Step TotEng PotEng KinEng v_REBO v_KC Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
-       0 -5025.3867722725 -5040.0767391239 14.6899668514 -5011.2636297759 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
-     100 -5025.3962433293 -5041.3829775585 15.9867342292 -5012.5109377234 -28.8720398351 91.0071804888 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069014 
-     200 -5025.3942568861 -5041.9638220670 16.5695651809 -5012.7804299195 -29.1833921475 94.3250439654 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265577 
-     300 -5025.3919463074 -5040.9705419367 15.5785956293 -5012.0510295102 -28.9195124265 88.6837826830 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745908 
-     400 -5025.3965376948 -5041.6929964127 16.2964587179 -5012.6418090677 -29.0511873450 92.7703393702 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704496 
-     500 -5025.4050172900 -5042.1712310053 16.7662137153 -5013.1850218645 -28.9862091408 95.4444989087 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066 
-     600 -5025.3985715734 -5041.2158947893 15.8173232159 -5012.4875319345 -28.7283628548 90.0427797270 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001093 
-     700 -5025.3997561572 -5041.6276721306 16.2279159734 -5012.7093581188 -28.9183140118 92.3801482386 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311564 
-     800 -5025.3967603736 -5042.3401685987 16.9434082251 -5013.3044877099 -29.0356808888 96.4532085367 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492925 
-     900 -5025.3984542801 -5042.2820667481 16.8836124680 -5013.4066841442 -28.8753826039 96.1128111061 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648638 
-    1000 -5025.3988185618 -5041.9160822433 16.5172636815 -5012.8147737982 -29.1013084450 94.0273088606 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119 
-Loop time of 156.142 on 1 procs for 1000 steps with 1360 atoms
+       0 -5025.3867727863 -5040.0767396377 14.6899668514 -5011.2636302897 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
+     100 -5025.3962438431 -5041.3829780735 15.9867342304 -5012.5109382383 -28.8720398352 91.0071804956 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069015 
+     200 -5025.3942574000 -5041.9638225847 16.5695651847 -5012.7804304371 -29.1833921476 94.3250439874 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265578 
+     300 -5025.3919468212 -5040.9705424499 15.5785956286 -5012.0510300232 -28.9195124266 88.6837826792 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745907 
+     400 -5025.3965382086 -5041.6929969192 16.2964587107 -5012.6418095739 -29.0511873454 92.7703393292 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704497 
+     500 -5025.4050178038 -5042.1712315208 16.7662137170 -5013.1850223792 -28.9862091417 95.4444989189 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066 
+     600 -5025.3985720873 -5041.2158953052 15.8173232179 -5012.4875324499 -28.7283628553 90.0427797386 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001092 
+     700 -5025.3997566711 -5041.6276726420 16.2279159709 -5012.7093586298 -28.9183140122 92.3801482242 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311565 
+     800 -5025.3967608874 -5042.3401691104 16.9434082230 -5013.3044882226 -29.0356808878 96.4532085250 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492926 
+     900 -5025.3984547937 -5042.2820672614 16.8836124676 -5013.4066846579 -28.8753826035 96.1128111040 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648640 
+    1000 -5025.3988190757 -5041.9160827657 16.5172636900 -5012.8147743212 -29.1013084444 94.0273089090 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119 
+Loop time of 103.724 on 1 procs for 1000 steps with 1360 atoms
 
-Performance: 0.553 ns/day, 43.373 hours/ns, 6.404 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.833 ns/day, 28.812 hours/ns, 9.641 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 155.99     | 155.99     | 155.99     |   0.0 | 99.90
-Bond    | 0.00075769 | 0.00075769 | 0.00075769 |   0.0 |  0.00
+Pair    | 103.59     | 103.59     | 103.59     |   0.0 | 99.87
+Bond    | 0.00022388 | 0.00022388 | 0.00022388 |   0.0 |  0.00
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.084217   | 0.084217   | 0.084217   |   0.0 |  0.05
-Output  | 0.0016122  | 0.0016122  | 0.0016122  |   0.0 |  0.00
-Modify  | 0.034797   | 0.034797   | 0.034797   |   0.0 |  0.02
-Other   |            | 0.02838    |            |       |  0.02
+Comm    | 0.082476   | 0.082476   | 0.082476   |   0.0 |  0.08
+Output  | 0.0010884  | 0.0010884  | 0.0010884  |   0.0 |  0.00
+Modify  | 0.032938   | 0.032938   | 0.032938   |   0.0 |  0.03
+Other   |            | 0.01749    |            |       |  0.02
 
 Nlocal:    1360 ave 1360 max 1360 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -133,4 +136,4 @@ Ave neighs/atom = 195.004
 Ave special neighs/atom = 0
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:02:36
+Total wall time: 0:01:43
diff --git a/examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.4 b/examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4
similarity index 59%
rename from examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.4
rename to examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4
index 58322f9ce0792577e7c66a28183513d086526f3d..b90ee7ee2e2734dbfbdcbca175629b69de0b92fe 100644
--- a/examples/USER/misc/kolmogorov_crespi_full/log.16Mar18.bilayer-graphene.g++.4
+++ b/examples/USER/misc/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (8 Mar 2018)
+LAMMPS (5 Jun 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # Initialization
 units           metal
@@ -21,6 +22,8 @@ read_data       Bi_gr_AB_stack_2L_noH_300K.data
   0 = max # of 1-3 neighbors
   0 = max # of 1-4 neighbors
   1 = max # of special neighbors
+  special bonds CPU = 0.000187874 secs
+  read_data CPU = 0.00234103 secs
 mass            1 12.0107   # carbon mass (g/mole) | membrane
 mass            2 12.0107   # carbon mass (g/mole) | adsorbate
 # Separate atom groups
@@ -32,8 +35,8 @@ group adsorbate type 2
 ######################## Potential defition ########################
 pair_style  hybrid/overlay  rebo  kolmogorov/crespi/full 16.0
 ####################################################################
-pair_coeff  * * rebo                     CH.airebo      NULL C  # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * rebo                     CH.rebo      NULL C  # chemical
+Reading potential file CH.rebo with DATE: 2018-7-3
 pair_coeff  * * kolmogorov/crespi/full   CC.KC-full     C    C  # long range
 ####################################################################
 # Neighbor update settings
@@ -92,32 +95,32 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 11.13 | 11.13 | 11.13 Mbytes
 Step TotEng PotEng KinEng v_REBO v_KC Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
-       0 -5025.3867722725 -5040.0767391239 14.6899668514 -5011.2636297759 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
-     100 -5025.3962433293 -5041.3829775585 15.9867342292 -5012.5109377234 -28.8720398351 91.0071804888 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069014 
-     200 -5025.3942568861 -5041.9638220670 16.5695651809 -5012.7804299195 -29.1833921475 94.3250439654 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265577 
-     300 -5025.3919463074 -5040.9705419367 15.5785956293 -5012.0510295103 -28.9195124265 88.6837826830 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745908 
-     400 -5025.3965376948 -5041.6929964127 16.2964587179 -5012.6418090677 -29.0511873450 92.7703393702 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704496 
-     500 -5025.4050172900 -5042.1712310053 16.7662137153 -5013.1850218645 -28.9862091408 95.4444989088 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066 
-     600 -5025.3985715734 -5041.2158947893 15.8173232159 -5012.4875319345 -28.7283628548 90.0427797270 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001093 
-     700 -5025.3997561572 -5041.6276721306 16.2279159734 -5012.7093581188 -28.9183140118 92.3801482386 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311564 
-     800 -5025.3967603736 -5042.3401685987 16.9434082251 -5013.3044877099 -29.0356808888 96.4532085367 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492925 
-     900 -5025.3984542801 -5042.2820667481 16.8836124680 -5013.4066841442 -28.8753826039 96.1128111061 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648638 
-    1000 -5025.3988185618 -5041.9160822433 16.5172636815 -5012.8147737983 -29.1013084450 94.0273088606 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119 
-Loop time of 42.5422 on 4 procs for 1000 steps with 1360 atoms
+       0 -5025.3867727863 -5040.0767396377 14.6899668514 -5011.2636302897 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
+     100 -5025.3962438431 -5041.3829780735 15.9867342304 -5012.5109382383 -28.8720398352 91.0071804956 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069015 
+     200 -5025.3942574000 -5041.9638225847 16.5695651847 -5012.7804304371 -29.1833921476 94.3250439874 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265578 
+     300 -5025.3919468212 -5040.9705424499 15.5785956286 -5012.0510300232 -28.9195124266 88.6837826792 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745907 
+     400 -5025.3965382086 -5041.6929969192 16.2964587107 -5012.6418095739 -29.0511873454 92.7703393291 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704497 
+     500 -5025.4050178038 -5042.1712315208 16.7662137170 -5013.1850223792 -28.9862091417 95.4444989189 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066 
+     600 -5025.3985720873 -5041.2158953052 15.8173232179 -5012.4875324499 -28.7283628553 90.0427797386 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001092 
+     700 -5025.3997566711 -5041.6276726420 16.2279159709 -5012.7093586298 -28.9183140122 92.3801482242 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311565 
+     800 -5025.3967608874 -5042.3401691104 16.9434082230 -5013.3044882226 -29.0356808878 96.4532085250 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492926 
+     900 -5025.3984547938 -5042.2820672614 16.8836124676 -5013.4066846579 -28.8753826035 96.1128111040 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648640 
+    1000 -5025.3988190757 -5041.9160827657 16.5172636900 -5012.8147743212 -29.1013084444 94.0273089090 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119 
+Loop time of 33.7338 on 4 procs for 1000 steps with 1360 atoms
 
-Performance: 2.031 ns/day, 11.817 hours/ns, 23.506 timesteps/s
-98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 2.561 ns/day, 9.370 hours/ns, 29.644 timesteps/s
+94.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 39.928     | 40.992     | 42.377     |  15.8 | 96.36
-Bond    | 0.0003643  | 0.00043392 | 0.00048113 |   0.0 |  0.00
+Pair    | 30.833     | 31.356     | 32.18      |   9.1 | 92.95
+Bond    | 0.00026059 | 0.00029182 | 0.00031185 |   0.0 |  0.00
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.12253    | 1.5076     | 2.5698     |  82.1 |  3.54
-Output  | 0.0012577  | 0.0013637  | 0.0016453  |   0.4 |  0.00
-Modify  | 0.010833   | 0.012247   | 0.013317   |   0.9 |  0.03
-Other   |            | 0.02864    |            |       |  0.07
+Comm    | 1.443      | 2.2722     | 2.8091     |  34.3 |  6.74
+Output  | 0.00068855 | 0.00095087 | 0.0017185  |   0.0 |  0.00
+Modify  | 0.010187   | 0.011709   | 0.015284   |   1.9 |  0.03
+Other   |            | 0.09241    |            |       |  0.27
 
 Nlocal:    340 ave 344 max 334 min
 Histogram: 1 0 0 0 0 0 1 0 1 1
@@ -133,4 +136,4 @@ Ave neighs/atom = 195.004
 Ave special neighs/atom = 0
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:42
+Total wall time: 0:00:33
diff --git a/examples/USER/misc/kolmogorov_crespi_z/CH.airebo b/examples/USER/misc/kolmogorov_crespi_z/CH.airebo
deleted file mode 120000
index e43e44c133427fe8aa23a5592311e1a95dd30bd8..0000000000000000000000000000000000000000
--- a/examples/USER/misc/kolmogorov_crespi_z/CH.airebo
+++ /dev/null
@@ -1 +0,0 @@
-../../../../potentials/CH.airebo
\ No newline at end of file
diff --git a/examples/USER/misc/kolmogorov_crespi_z/CH.rebo b/examples/USER/misc/kolmogorov_crespi_z/CH.rebo
new file mode 120000
index 0000000000000000000000000000000000000000..c5a6a40100959ab98c805328da8f63603b0f3cc7
--- /dev/null
+++ b/examples/USER/misc/kolmogorov_crespi_z/CH.rebo
@@ -0,0 +1 @@
+../../../../potentials/CH.rebo
\ No newline at end of file
diff --git a/examples/USER/misc/kolmogorov_crespi_z/in.bilayer-graphene b/examples/USER/misc/kolmogorov_crespi_z/in.bilayer-graphene
index 3d63fc09ed0683976fdf9391d68c51ef1e136488..b019b3e5bbb95a5da819ec4b4dc96b71bc58db9d 100644
--- a/examples/USER/misc/kolmogorov_crespi_z/in.bilayer-graphene
+++ b/examples/USER/misc/kolmogorov_crespi_z/in.bilayer-graphene
@@ -22,7 +22,7 @@ group adsorbant type 2
 ######################## Potential defition ########################
 pair_style  hybrid/overlay  rebo  kolmogorov/crespi/z 14.0
 ####################################################################
-pair_coeff * * rebo                 CH.airebo  C C  # chemical
+pair_coeff * * rebo                 CH.rebo  C C  # chemical
 pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C  # long-range
 ####################################################################
 
diff --git a/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.1 b/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.1
deleted file mode 100644
index 3ba8bfd5df9445a332f24004793d37cde70edf3f..0000000000000000000000000000000000000000
--- a/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.1
+++ /dev/null
@@ -1,208 +0,0 @@
-LAMMPS (8 Mar 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Initialization
-units           metal
-boundary        p p p
-atom_style      atomic
-processors      * * 1     # domain decomposition over x and y
-
-# System and atom definition
-# we use 2 atom types so that inter- and intra-layer
-# interactions can be specified separately
-read_data       data.bilayer-graphene # read lammps data file
-  orthogonal box = (0 0 -20) to (17.04 19.6761 40)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  256 atoms
-mass            1 12.0107   # carbon mass (g/mole) | membrane
-mass            2 12.0107   # carbon mass (g/mole) | adsorbate
-# Neighbor update settings
-neighbor        2.0 bin
-neigh_modify    every 1
-neigh_modify    delay 0
-neigh_modify    check yes
-# Separate atom groups
-group membrane  type 1
-128 atoms in group membrane
-group adsorbant type 2
-128 atoms in group adsorbant
-
-######################## Potential defition ########################
-pair_style  hybrid/overlay  rebo  kolmogorov/crespi/z 14.0
-####################################################################
-pair_coeff * * rebo                 CH.airebo  C C  # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
-pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C  # long-range
-####################################################################
-
-#### Simulation settings ####
-timestep  0.0001
-velocity  all create 300.0 12345
-fix       thermostat all nve
-compute   COM1 membrane  com
-compute   COM2 adsorbant com
-############################
-
-# Output
-#dump            1 all xyz 100 trajec.xyz
-#dump_modify     1 format line "%s %12.6f %12.6f %12.6f" element "C" "C"
-thermo          10
-thermo_style    custom step time etotal pe temp c_COM1[3] c_COM2[3] # spcpu
-thermo_modify   line one format float %14.8f
-
-###### Run molecular dynamics ######
-run 1000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 16
-  ghost atom cutoff = 16
-  binsize = 8, bins = 3 3 8
-  3 neighbor lists, perpetual/occasional/extra = 3 0 0
-  (1) pair rebo, perpetual
-      attributes: full, newton on, ghost
-      pair build: full/bin/ghost
-      stencil: full/ghost/bin/3d
-      bin: standard
-  (2) pair kolmogorov/crespi/z, perpetual, skip from (3)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (3) neighbor class addition, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.998 | 4.998 | 4.998 Mbytes
-Step Time TotEng PotEng Temp c_COM1[3] c_COM2[3] 
-       0     0.00000000 -1888.67041214 -1898.55881323   300.00000000     0.00000000     3.30000000 
-      10     0.00100000 -1888.67037221 -1898.21029897   289.42778520    -0.00020126     3.30020126 
-      20     0.00200000 -1888.67021541 -1897.22943612   259.67456089    -0.00041357     3.30041357 
-      30     0.00300000 -1888.66999308 -1895.86681311   218.34126559    -0.00063673     3.30063673 
-      40     0.00400000 -1888.66978354 -1894.47163830   176.02000692    -0.00087055     3.30087055 
-      50     0.00500000 -1888.66966068 -1893.37123377   142.63902862    -0.00111486     3.30111486 
-      60     0.00600000 -1888.66966132 -1892.75822749   124.04127205    -0.00136952     3.30136952 
-      70     0.00700000 -1888.66976974 -1892.63445751   120.28297808    -0.00163441     3.30163441 
-      80     0.00800000 -1888.66992867 -1892.83467462   126.35245792    -0.00190946     3.30190946 
-      90     0.00900000 -1888.67006868 -1893.11387069   134.81862145    -0.00219458     3.30219458 
-     100     0.01000000 -1888.67013621 -1893.25481851   139.09272853    -0.00248973     3.30248973 
-     110     0.01100000 -1888.67011201 -1893.15155790   135.96068294    -0.00279489     3.30279489 
-     120     0.01200000 -1888.67001496 -1892.84002960   126.51230266    -0.00311004     3.30311004 
-     130     0.01300000 -1888.66988997 -1892.47004238   115.29120968    -0.00343519     3.30343519 
-     140     0.01400000 -1888.66979230 -1892.23503116   108.16426723    -0.00377038     3.30377038 
-     150     0.01500000 -1888.66976478 -1892.28630583   109.72070257    -0.00411562     3.30411562 
-     160     0.01600000 -1888.66982054 -1892.66640611   121.25071190    -0.00447099     3.30447099 
-     170     0.01700000 -1888.66993790 -1893.28862637   140.12442721    -0.00483654     3.30483654 
-     180     0.01800000 -1888.67007017 -1893.97029258   160.80119589    -0.00521235     3.30521235 
-     190     0.01900000 -1888.67016712 -1894.50458787   177.00801243    -0.00559851     3.30559851 
-     200     0.02000000 -1888.67019459 -1894.73890106   184.11590729    -0.00599512     3.30599512 
-     210     0.02100000 -1888.67014420 -1894.62906014   180.78501932    -0.00640230     3.30640230 
-     220     0.02200000 -1888.67003680 -1894.25249103   169.36370738    -0.00682016     3.30682016 
-     230     0.02300000 -1888.66991386 -1893.77601613   154.91186767    -0.00724883     3.30724883 
-     240     0.02400000 -1888.66982525 -1893.38995084   143.20188490    -0.00768845     3.30768845 
-     250     0.02500000 -1888.66980630 -1893.23138936   138.39193056    -0.00813913     3.30813913 
-     260     0.02600000 -1888.66986130 -1893.32993923   141.38012476    -0.00860097     3.30860097 
-     270     0.02700000 -1888.66996305 -1893.60070606   149.59171763    -0.00907408     3.30907408 
-     280     0.02800000 -1888.67006686 -1893.88587226   158.24010433    -0.00955849     3.30955849 
-     290     0.02900000 -1888.67012981 -1894.02402669   162.42960292    -0.01005424     3.31005424 
-     300     0.03000000 -1888.67012722 -1893.91715234   159.18726627    -0.01056129     3.31056129 
-     310     0.03100000 -1888.67005731 -1893.57037242   148.66857852    -0.01107957     3.31107957 
-     320     0.03200000 -1888.66994573 -1893.09358619   134.20694883    -0.01160898     3.31160898 
-     330     0.03300000 -1888.66983589 -1892.66132663   121.09614207    -0.01214935     3.31214935 
-     340     0.03400000 -1888.66977410 -1892.44446345   114.51869676    -0.01270046     3.31270046 
-     350     0.03500000 -1888.66978826 -1892.53901235   117.38674604    -0.01326207     3.31326207 
-     360     0.03600000 -1888.66987439 -1892.92337288   129.04508371    -0.01383390     3.31383390 
-     370     0.03700000 -1888.66999800 -1893.46445570   145.45701555    -0.01441561     3.31441561 
-     380     0.03800000 -1888.67010960 -1893.97065516   160.81100020    -0.01500688     3.31500688 
-     390     0.03900000 -1888.67016540 -1894.26835818   169.84119247    -0.01560734     3.31560734 
-     400     0.04000000 -1888.67014667 -1894.26967975   169.88185546    -0.01621664     3.31621664 
-     410     0.04100000 -1888.67006166 -1894.00321069   161.80014280    -0.01683442     3.31683442 
-     420     0.04200000 -1888.66994367 -1893.60086324   149.59707418    -0.01746033     3.31746033 
-     430     0.04300000 -1888.66984058 -1893.24559841   138.82197275    -0.01809405     3.31809405 
-     440     0.04400000 -1888.66979399 -1893.09727874   134.32357877    -0.01873527     3.31873527 
-     450     0.04500000 -1888.66982139 -1893.22837442   138.30000378    -0.01938373     3.31938373 
-     460     0.04600000 -1888.66990972 -1893.59670383   149.47191354    -0.02003918     3.32003918 
-     470     0.04700000 -1888.67002173 -1894.06542598   163.68887743    -0.02070143     3.32070143 
-     480     0.04800000 -1888.67011389 -1894.46010842   175.66018439    -0.02137030     3.32137030 
-     490     0.04900000 -1888.67015175 -1894.63688098   181.02206322    -0.02204565     3.32204565 
-     500     0.05000000 -1888.67012158 -1894.53632221   177.97216882    -0.02272740     3.32272740 
-     510     0.05100000 -1888.67003762 -1894.20444731   167.90610436    -0.02341547     3.32341547 
-     520     0.05200000 -1888.66993151 -1893.77231066   154.79891353    -0.02410981     3.32410981 
-     530     0.05300000 -1888.66984505 -1893.40525927   143.66572038    -0.02481040     3.32481040 
-     540     0.05400000 -1888.66981408 -1893.23762083   138.58074854    -0.02551724     3.32551724 
-     550     0.05500000 -1888.66985005 -1893.31793594   141.01630317    -0.02623032     3.32623032 
-     560     0.05600000 -1888.66993737 -1893.59069013   149.28862751    -0.02694963     3.32694963 
-     570     0.05700000 -1888.67003852 -1893.92089571   159.30352588    -0.02767517     3.32767517 
-     580     0.05800000 -1888.67011322 -1894.15124753   166.28980524    -0.02840691     3.32840691 
-     590     0.05900000 -1888.67013192 -1894.16548041   166.72104345    -0.02914478     3.32914478 
-     600     0.06000000 -1888.67008713 -1893.93443318   159.71275856    -0.02988871     3.32988871 
-     610     0.06100000 -1888.66999438 -1893.52841656   147.39760646    -0.03063856     3.33063856 
-     620     0.06200000 -1888.66988809 -1893.09235021   134.17119963    -0.03139416     3.33139416 
-     630     0.06300000 -1888.66980996 -1892.79172016   125.05288240    -0.03215531     3.33215531 
-     640     0.06400000 -1888.66979261 -1892.74755390   123.71346730    -0.03292176     3.33292176 
-     650     0.06500000 -1888.66984332 -1892.98665459   130.96590324    -0.03369323     3.33369323 
-     660     0.06600000 -1888.66994245 -1893.42999868   144.41332389    -0.03446937     3.33446937 
-     670     0.06700000 -1888.67005233 -1893.92310681   159.37018806    -0.03524986     3.33524986 
-     680     0.06800000 -1888.67013309 -1894.29451581   170.63575808    -0.03603430     3.33603430 
-     690     0.06900000 -1888.67015452 -1894.41878117   174.40514192    -0.03682229     3.33682229 
-     700     0.07000000 -1888.67010897 -1894.26288036   169.67671530    -0.03761343     3.33761343 
-     710     0.07100000 -1888.67001367 -1893.89812904   158.61357114    -0.03840729     3.33840729 
-     720     0.07200000 -1888.66990378 -1893.47348746   145.73388454    -0.03920344     3.33920344 
-     730     0.07300000 -1888.66982212 -1893.15984839   136.22099960    -0.04000148     3.34000148 
-     740     0.07400000 -1888.66980109 -1893.08373746   133.91254029    -0.04080098     3.34080098 
-     750     0.07500000 -1888.66984794 -1893.27755511   139.79127024    -0.04160156     3.34160156 
-     760     0.07600000 -1888.66994215 -1893.66837365   151.64528967    -0.04240282     3.34240282 
-     770     0.07700000 -1888.67004554 -1894.10941206   165.02263027    -0.04320441     3.34320441 
-     780     0.07800000 -1888.67011702 -1894.43947545   175.03411436    -0.04400599     3.34400599 
-     790     0.07900000 -1888.67013297 -1894.54590471   178.26254255    -0.04480726     3.34480726 
-     800     0.08000000 -1888.67008751 -1894.40384142   173.95392406    -0.04560792     3.34560792 
-     810     0.08100000 -1888.66999923 -1894.08389003   164.24973321    -0.04640773     3.34640773 
-     820     0.08200000 -1888.66990447 -1893.72313979   153.30795965    -0.04720647     3.34720647 
-     830     0.08300000 -1888.66984367 -1893.46839190   145.58111626    -0.04800393     3.34800393 
-     840     0.08400000 -1888.66984156 -1893.41412536   143.93481093    -0.04879995     3.34879995 
-     850     0.08500000 -1888.66989670 -1893.56426154   148.48805553    -0.04959439     3.34959439 
-     860     0.08600000 -1888.66998222 -1893.83463719   156.68827294    -0.05038713     3.35038713 
-     870     0.08700000 -1888.67006171 -1894.09325045   164.53181920    -0.05117805     3.35117805 
-     880     0.08800000 -1888.67010273 -1894.21712661   168.28880100    -0.05196706     3.35196706 
-     890     0.08900000 -1888.67008993 -1894.14263950   166.02935656    -0.05275408     3.35275408 
-     900     0.09000000 -1888.67002891 -1893.89014571   158.37090587    -0.05353904     3.35353904 
-     910     0.09100000 -1888.66994326 -1893.55535709   148.21649469    -0.05432186     3.35432186 
-     920     0.09200000 -1888.66986526 -1893.27257949   139.63979178    -0.05510247     3.35510247 
-     930     0.09300000 -1888.66982730 -1893.16330891   136.32582949    -0.05588078     3.35588078 
-     940     0.09400000 -1888.66984631 -1893.28643285   140.06065785    -0.05665670     3.35665670 
-     950     0.09500000 -1888.66991503 -1893.61245342   149.94957268    -0.05743015     3.35743015 
-     960     0.09600000 -1888.67000691 -1894.03423922   162.74316516    -0.05820101     3.35820101 
-     970     0.09700000 -1888.67008649 -1894.40848025   174.09469037    -0.05896915     3.35896915 
-     980     0.09800000 -1888.67012436 -1894.61056767   180.22458605    -0.05973444     3.35973444 
-     990     0.09900000 -1888.67010608 -1894.58107659   179.33042338    -0.06049672     3.36049672 
-    1000     0.10000000 -1888.67003981 -1894.34773305   172.25312330    -0.06125581     3.36125581 
-Loop time of 3.90147 on 1 procs for 1000 steps with 256 atoms
-
-Performance: 2.215 ns/day, 10.837 hours/ns, 256.314 timesteps/s
-99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.8786     | 3.8786     | 3.8786     |   0.0 | 99.41
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.010816   | 0.010816   | 0.010816   |   0.0 |  0.28
-Output  | 0.002461   | 0.002461   | 0.002461   |   0.0 |  0.06
-Modify  | 0.0051703  | 0.0051703  | 0.0051703  |   0.0 |  0.13
-Other   |            | 0.004447   |            |       |  0.11
-
-Nlocal:    256 ave 256 max 256 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1721 ave 1721 max 1721 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    37312 ave 37312 max 37312 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  94592 ave 94592 max 94592 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 94592
-Ave neighs/atom = 369.5
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:03
diff --git a/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.4 b/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.4
deleted file mode 100644
index b2dd5516540eb7b2eeb4d2c4eb28811d5241713b..0000000000000000000000000000000000000000
--- a/examples/USER/misc/kolmogorov_crespi_z/log.16Mar18.bilayer-graphene.g++.4
+++ /dev/null
@@ -1,208 +0,0 @@
-LAMMPS (8 Mar 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Initialization
-units           metal
-boundary        p p p
-atom_style      atomic
-processors      * * 1     # domain decomposition over x and y
-
-# System and atom definition
-# we use 2 atom types so that inter- and intra-layer
-# interactions can be specified separately
-read_data       data.bilayer-graphene # read lammps data file
-  orthogonal box = (0 0 -20) to (17.04 19.6761 40)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  256 atoms
-mass            1 12.0107   # carbon mass (g/mole) | membrane
-mass            2 12.0107   # carbon mass (g/mole) | adsorbate
-# Neighbor update settings
-neighbor        2.0 bin
-neigh_modify    every 1
-neigh_modify    delay 0
-neigh_modify    check yes
-# Separate atom groups
-group membrane  type 1
-128 atoms in group membrane
-group adsorbant type 2
-128 atoms in group adsorbant
-
-######################## Potential defition ########################
-pair_style  hybrid/overlay  rebo  kolmogorov/crespi/z 14.0
-####################################################################
-pair_coeff * * rebo                 CH.airebo  C C  # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
-pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C  # long-range
-####################################################################
-
-#### Simulation settings ####
-timestep  0.0001
-velocity  all create 300.0 12345
-fix       thermostat all nve
-compute   COM1 membrane  com
-compute   COM2 adsorbant com
-############################
-
-# Output
-#dump            1 all xyz 100 trajec.xyz
-#dump_modify     1 format line "%s %12.6f %12.6f %12.6f" element "C" "C"
-thermo          10
-thermo_style    custom step time etotal pe temp c_COM1[3] c_COM2[3] # spcpu
-thermo_modify   line one format float %14.8f
-
-###### Run molecular dynamics ######
-run 1000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 16
-  ghost atom cutoff = 16
-  binsize = 8, bins = 3 3 8
-  3 neighbor lists, perpetual/occasional/extra = 3 0 0
-  (1) pair rebo, perpetual
-      attributes: full, newton on, ghost
-      pair build: full/bin/ghost
-      stencil: full/ghost/bin/3d
-      bin: standard
-  (2) pair kolmogorov/crespi/z, perpetual, skip from (3)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (3) neighbor class addition, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.572 | 4.572 | 4.572 Mbytes
-Step Time TotEng PotEng Temp c_COM1[3] c_COM2[3] 
-       0     0.00000000 -1888.67041214 -1898.55881323   300.00000000     0.00000000     3.30000000 
-      10     0.00100000 -1888.67037221 -1898.21029897   289.42778520    -0.00020126     3.30020126 
-      20     0.00200000 -1888.67021541 -1897.22943612   259.67456089    -0.00041357     3.30041357 
-      30     0.00300000 -1888.66999308 -1895.86681311   218.34126559    -0.00063673     3.30063673 
-      40     0.00400000 -1888.66978354 -1894.47163830   176.02000692    -0.00087055     3.30087055 
-      50     0.00500000 -1888.66966068 -1893.37123377   142.63902862    -0.00111486     3.30111486 
-      60     0.00600000 -1888.66966132 -1892.75822749   124.04127205    -0.00136952     3.30136952 
-      70     0.00700000 -1888.66976974 -1892.63445751   120.28297808    -0.00163441     3.30163441 
-      80     0.00800000 -1888.66992867 -1892.83467462   126.35245792    -0.00190946     3.30190946 
-      90     0.00900000 -1888.67006868 -1893.11387069   134.81862145    -0.00219458     3.30219458 
-     100     0.01000000 -1888.67013621 -1893.25481851   139.09272853    -0.00248973     3.30248973 
-     110     0.01100000 -1888.67011201 -1893.15155790   135.96068294    -0.00279489     3.30279489 
-     120     0.01200000 -1888.67001496 -1892.84002960   126.51230266    -0.00311004     3.30311004 
-     130     0.01300000 -1888.66988997 -1892.47004238   115.29120968    -0.00343519     3.30343519 
-     140     0.01400000 -1888.66979230 -1892.23503116   108.16426723    -0.00377038     3.30377038 
-     150     0.01500000 -1888.66976478 -1892.28630583   109.72070257    -0.00411562     3.30411562 
-     160     0.01600000 -1888.66982054 -1892.66640611   121.25071190    -0.00447099     3.30447099 
-     170     0.01700000 -1888.66993790 -1893.28862637   140.12442721    -0.00483654     3.30483654 
-     180     0.01800000 -1888.67007017 -1893.97029258   160.80119589    -0.00521235     3.30521235 
-     190     0.01900000 -1888.67016712 -1894.50458787   177.00801243    -0.00559851     3.30559851 
-     200     0.02000000 -1888.67019459 -1894.73890106   184.11590729    -0.00599512     3.30599512 
-     210     0.02100000 -1888.67014420 -1894.62906014   180.78501932    -0.00640230     3.30640230 
-     220     0.02200000 -1888.67003680 -1894.25249103   169.36370738    -0.00682016     3.30682016 
-     230     0.02300000 -1888.66991386 -1893.77601613   154.91186767    -0.00724883     3.30724883 
-     240     0.02400000 -1888.66982525 -1893.38995084   143.20188490    -0.00768845     3.30768845 
-     250     0.02500000 -1888.66980630 -1893.23138936   138.39193056    -0.00813913     3.30813913 
-     260     0.02600000 -1888.66986130 -1893.32993923   141.38012476    -0.00860097     3.30860097 
-     270     0.02700000 -1888.66996305 -1893.60070606   149.59171763    -0.00907408     3.30907408 
-     280     0.02800000 -1888.67006686 -1893.88587226   158.24010433    -0.00955849     3.30955849 
-     290     0.02900000 -1888.67012981 -1894.02402669   162.42960292    -0.01005424     3.31005424 
-     300     0.03000000 -1888.67012722 -1893.91715234   159.18726627    -0.01056129     3.31056129 
-     310     0.03100000 -1888.67005731 -1893.57037242   148.66857852    -0.01107957     3.31107957 
-     320     0.03200000 -1888.66994573 -1893.09358619   134.20694883    -0.01160898     3.31160898 
-     330     0.03300000 -1888.66983589 -1892.66132663   121.09614207    -0.01214935     3.31214935 
-     340     0.03400000 -1888.66977410 -1892.44446345   114.51869676    -0.01270046     3.31270046 
-     350     0.03500000 -1888.66978826 -1892.53901235   117.38674604    -0.01326207     3.31326207 
-     360     0.03600000 -1888.66987439 -1892.92337288   129.04508371    -0.01383390     3.31383390 
-     370     0.03700000 -1888.66999800 -1893.46445570   145.45701555    -0.01441561     3.31441561 
-     380     0.03800000 -1888.67010960 -1893.97065516   160.81100020    -0.01500688     3.31500688 
-     390     0.03900000 -1888.67016540 -1894.26835818   169.84119247    -0.01560734     3.31560734 
-     400     0.04000000 -1888.67014667 -1894.26967975   169.88185546    -0.01621664     3.31621664 
-     410     0.04100000 -1888.67006166 -1894.00321069   161.80014280    -0.01683442     3.31683442 
-     420     0.04200000 -1888.66994367 -1893.60086324   149.59707418    -0.01746033     3.31746033 
-     430     0.04300000 -1888.66984058 -1893.24559841   138.82197275    -0.01809405     3.31809405 
-     440     0.04400000 -1888.66979399 -1893.09727874   134.32357877    -0.01873527     3.31873527 
-     450     0.04500000 -1888.66982139 -1893.22837442   138.30000378    -0.01938373     3.31938373 
-     460     0.04600000 -1888.66990972 -1893.59670383   149.47191354    -0.02003918     3.32003918 
-     470     0.04700000 -1888.67002173 -1894.06542598   163.68887743    -0.02070143     3.32070143 
-     480     0.04800000 -1888.67011389 -1894.46010842   175.66018439    -0.02137030     3.32137030 
-     490     0.04900000 -1888.67015175 -1894.63688098   181.02206322    -0.02204565     3.32204565 
-     500     0.05000000 -1888.67012158 -1894.53632221   177.97216882    -0.02272740     3.32272740 
-     510     0.05100000 -1888.67003762 -1894.20444731   167.90610436    -0.02341547     3.32341547 
-     520     0.05200000 -1888.66993151 -1893.77231066   154.79891353    -0.02410981     3.32410981 
-     530     0.05300000 -1888.66984505 -1893.40525927   143.66572038    -0.02481040     3.32481040 
-     540     0.05400000 -1888.66981408 -1893.23762083   138.58074854    -0.02551724     3.32551724 
-     550     0.05500000 -1888.66985005 -1893.31793594   141.01630317    -0.02623032     3.32623032 
-     560     0.05600000 -1888.66993737 -1893.59069013   149.28862751    -0.02694963     3.32694963 
-     570     0.05700000 -1888.67003852 -1893.92089571   159.30352588    -0.02767517     3.32767517 
-     580     0.05800000 -1888.67011322 -1894.15124753   166.28980524    -0.02840691     3.32840691 
-     590     0.05900000 -1888.67013192 -1894.16548041   166.72104345    -0.02914478     3.32914478 
-     600     0.06000000 -1888.67008713 -1893.93443318   159.71275856    -0.02988871     3.32988871 
-     610     0.06100000 -1888.66999438 -1893.52841656   147.39760646    -0.03063856     3.33063856 
-     620     0.06200000 -1888.66988809 -1893.09235021   134.17119963    -0.03139416     3.33139416 
-     630     0.06300000 -1888.66980996 -1892.79172016   125.05288240    -0.03215531     3.33215531 
-     640     0.06400000 -1888.66979261 -1892.74755390   123.71346730    -0.03292176     3.33292176 
-     650     0.06500000 -1888.66984332 -1892.98665459   130.96590324    -0.03369323     3.33369323 
-     660     0.06600000 -1888.66994245 -1893.42999868   144.41332389    -0.03446937     3.33446937 
-     670     0.06700000 -1888.67005233 -1893.92310681   159.37018806    -0.03524986     3.33524986 
-     680     0.06800000 -1888.67013309 -1894.29451581   170.63575808    -0.03603430     3.33603430 
-     690     0.06900000 -1888.67015452 -1894.41878117   174.40514192    -0.03682229     3.33682229 
-     700     0.07000000 -1888.67010897 -1894.26288036   169.67671530    -0.03761343     3.33761343 
-     710     0.07100000 -1888.67001367 -1893.89812904   158.61357114    -0.03840729     3.33840729 
-     720     0.07200000 -1888.66990378 -1893.47348746   145.73388454    -0.03920344     3.33920344 
-     730     0.07300000 -1888.66982212 -1893.15984839   136.22099960    -0.04000148     3.34000148 
-     740     0.07400000 -1888.66980109 -1893.08373746   133.91254029    -0.04080098     3.34080098 
-     750     0.07500000 -1888.66984794 -1893.27755511   139.79127024    -0.04160156     3.34160156 
-     760     0.07600000 -1888.66994215 -1893.66837365   151.64528967    -0.04240282     3.34240282 
-     770     0.07700000 -1888.67004554 -1894.10941206   165.02263027    -0.04320441     3.34320441 
-     780     0.07800000 -1888.67011702 -1894.43947545   175.03411436    -0.04400599     3.34400599 
-     790     0.07900000 -1888.67013297 -1894.54590471   178.26254255    -0.04480726     3.34480726 
-     800     0.08000000 -1888.67008751 -1894.40384142   173.95392406    -0.04560792     3.34560792 
-     810     0.08100000 -1888.66999923 -1894.08389003   164.24973321    -0.04640773     3.34640773 
-     820     0.08200000 -1888.66990447 -1893.72313979   153.30795965    -0.04720647     3.34720647 
-     830     0.08300000 -1888.66984367 -1893.46839190   145.58111626    -0.04800393     3.34800393 
-     840     0.08400000 -1888.66984156 -1893.41412536   143.93481093    -0.04879995     3.34879995 
-     850     0.08500000 -1888.66989670 -1893.56426154   148.48805553    -0.04959439     3.34959439 
-     860     0.08600000 -1888.66998222 -1893.83463719   156.68827294    -0.05038713     3.35038713 
-     870     0.08700000 -1888.67006171 -1894.09325045   164.53181920    -0.05117805     3.35117805 
-     880     0.08800000 -1888.67010273 -1894.21712661   168.28880100    -0.05196706     3.35196706 
-     890     0.08900000 -1888.67008993 -1894.14263950   166.02935656    -0.05275408     3.35275408 
-     900     0.09000000 -1888.67002891 -1893.89014571   158.37090587    -0.05353904     3.35353904 
-     910     0.09100000 -1888.66994326 -1893.55535709   148.21649469    -0.05432186     3.35432186 
-     920     0.09200000 -1888.66986526 -1893.27257949   139.63979178    -0.05510247     3.35510247 
-     930     0.09300000 -1888.66982730 -1893.16330891   136.32582949    -0.05588078     3.35588078 
-     940     0.09400000 -1888.66984631 -1893.28643285   140.06065785    -0.05665670     3.35665670 
-     950     0.09500000 -1888.66991503 -1893.61245342   149.94957268    -0.05743015     3.35743015 
-     960     0.09600000 -1888.67000691 -1894.03423922   162.74316516    -0.05820101     3.35820101 
-     970     0.09700000 -1888.67008649 -1894.40848025   174.09469037    -0.05896915     3.35896915 
-     980     0.09800000 -1888.67012436 -1894.61056767   180.22458605    -0.05973444     3.35973444 
-     990     0.09900000 -1888.67010608 -1894.58107659   179.33042338    -0.06049672     3.36049672 
-    1000     0.10000000 -1888.67003981 -1894.34773305   172.25312330    -0.06125581     3.36125581 
-Loop time of 1.32192 on 4 procs for 1000 steps with 256 atoms
-
-Performance: 6.536 ns/day, 3.672 hours/ns, 756.476 timesteps/s
-98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.1157     | 1.172      | 1.2369     |   4.0 | 88.66
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.071678   | 0.13667    | 0.19304    |  11.8 | 10.34
-Output  | 0.0029244  | 0.0031272  | 0.0035112  |   0.4 |  0.24
-Modify  | 0.0016961  | 0.0017477  | 0.0017846  |   0.1 |  0.13
-Other   |            | 0.008334   |            |       |  0.63
-
-Nlocal:    64 ave 64 max 64 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Nghost:    1265 ave 1265 max 1265 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Neighs:    9328 ave 9328 max 9328 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-FullNghs:  23648 ave 23648 max 23648 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 94592
-Ave neighs/atom = 369.5
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 b/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..5c8616749e77f3e8a4fe6db46e431d7524387fb0
--- /dev/null
+++ b/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1
@@ -0,0 +1,210 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      atomic
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       data.bilayer-graphene # read lammps data file
+  orthogonal box = (0 0 -20) to (17.04 19.6761 40)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  256 atoms
+  read_data CPU = 0.000291348 secs
+mass            1 12.0107   # carbon mass (g/mole) | membrane
+mass            2 12.0107   # carbon mass (g/mole) | adsorbate
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+# Separate atom groups
+group membrane  type 1
+128 atoms in group membrane
+group adsorbant type 2
+128 atoms in group adsorbant
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  rebo  kolmogorov/crespi/z 14.0
+####################################################################
+pair_coeff * * rebo                 CH.rebo  C C  # chemical
+Reading potential file CH.rebo with DATE: 2018-7-3
+pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C  # long-range
+####################################################################
+
+#### Simulation settings ####
+timestep  0.0001
+velocity  all create 300.0 12345
+fix       thermostat all nve
+compute   COM1 membrane  com
+compute   COM2 adsorbant com
+############################
+
+# Output
+#dump            1 all xyz 100 trajec.xyz
+#dump_modify     1 format line "%s %12.6f %12.6f %12.6f" element "C" "C"
+thermo          10
+thermo_style    custom step time etotal pe temp c_COM1[3] c_COM2[3] # spcpu
+thermo_modify   line one format float %14.8f
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 16
+  ghost atom cutoff = 16
+  binsize = 8, bins = 3 3 8
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (2) pair kolmogorov/crespi/z, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.998 | 4.998 | 4.998 Mbytes
+Step Time TotEng PotEng Temp c_COM1[3] c_COM2[3] 
+       0     0.00000000 -1888.67041233 -1898.55881343   300.00000000     0.00000000     3.30000000 
+      10     0.00100000 -1888.67037240 -1898.21029916   289.42778520    -0.00020126     3.30020126 
+      20     0.00200000 -1888.67021561 -1897.22943631   259.67456089    -0.00041357     3.30041357 
+      30     0.00300000 -1888.66999327 -1895.86681330   218.34126559    -0.00063673     3.30063673 
+      40     0.00400000 -1888.66978373 -1894.47163849   176.02000692    -0.00087055     3.30087055 
+      50     0.00500000 -1888.66966087 -1893.37123396   142.63902861    -0.00111486     3.30111486 
+      60     0.00600000 -1888.66966151 -1892.75822768   124.04127204    -0.00136952     3.30136952 
+      70     0.00700000 -1888.66976993 -1892.63445770   120.28297806    -0.00163441     3.30163441 
+      80     0.00800000 -1888.66992887 -1892.83467481   126.35245790    -0.00190946     3.30190946 
+      90     0.00900000 -1888.67006887 -1893.11387088   134.81862143    -0.00219458     3.30219458 
+     100     0.01000000 -1888.67013641 -1893.25481870   139.09272852    -0.00248973     3.30248973 
+     110     0.01100000 -1888.67011221 -1893.15155809   135.96068294    -0.00279489     3.30279489 
+     120     0.01200000 -1888.67001516 -1892.84002980   126.51230266    -0.00311004     3.30311004 
+     130     0.01300000 -1888.66989017 -1892.47004258   115.29120969    -0.00343519     3.30343519 
+     140     0.01400000 -1888.66979250 -1892.23503136   108.16426724    -0.00377038     3.30377038 
+     150     0.01500000 -1888.66976498 -1892.28630603   109.72070258    -0.00411562     3.30411562 
+     160     0.01600000 -1888.66982073 -1892.66640631   121.25071190    -0.00447099     3.30447099 
+     170     0.01700000 -1888.66993810 -1893.28862656   140.12442720    -0.00483654     3.30483654 
+     180     0.01800000 -1888.67007037 -1893.97029277   160.80119589    -0.00521235     3.30521235 
+     190     0.01900000 -1888.67016732 -1894.50458806   177.00801243    -0.00559851     3.30559851 
+     200     0.02000000 -1888.67019479 -1894.73890125   184.11590729    -0.00599512     3.30599512 
+     210     0.02100000 -1888.67014440 -1894.62906034   180.78501933    -0.00640230     3.30640230 
+     220     0.02200000 -1888.67003699 -1894.25249122   169.36370739    -0.00682016     3.30682016 
+     230     0.02300000 -1888.66991405 -1893.77601632   154.91186768    -0.00724883     3.30724883 
+     240     0.02400000 -1888.66982545 -1893.38995103   143.20188490    -0.00768845     3.30768845 
+     250     0.02500000 -1888.66980650 -1893.23138955   138.39193054    -0.00813913     3.30813913 
+     260     0.02600000 -1888.66986149 -1893.32993943   141.38012473    -0.00860097     3.30860097 
+     270     0.02700000 -1888.66996324 -1893.60070625   149.59171759    -0.00907408     3.30907408 
+     280     0.02800000 -1888.67006705 -1893.88587245   158.24010430    -0.00955849     3.30955849 
+     290     0.02900000 -1888.67013001 -1894.02402688   162.42960290    -0.01005424     3.31005424 
+     300     0.03000000 -1888.67012741 -1893.91715254   159.18726627    -0.01056129     3.31056129 
+     310     0.03100000 -1888.67005750 -1893.57037262   148.66857854    -0.01107957     3.31107957 
+     320     0.03200000 -1888.66994592 -1893.09358639   134.20694885    -0.01160898     3.31160898 
+     330     0.03300000 -1888.66983608 -1892.66132683   121.09614209    -0.01214935     3.31214935 
+     340     0.03400000 -1888.66977429 -1892.44446364   114.51869677    -0.01270046     3.31270046 
+     350     0.03500000 -1888.66978845 -1892.53901254   117.38674604    -0.01326207     3.31326207 
+     360     0.03600000 -1888.66987459 -1892.92337308   129.04508370    -0.01383390     3.31383390 
+     370     0.03700000 -1888.66999819 -1893.46445589   145.45701553    -0.01441561     3.31441561 
+     380     0.03800000 -1888.67010979 -1893.97065536   160.81100019    -0.01500688     3.31500688 
+     390     0.03900000 -1888.67016559 -1894.26835837   169.84119248    -0.01560734     3.31560734 
+     400     0.04000000 -1888.67014686 -1894.26967995   169.88185548    -0.01621664     3.31621664 
+     410     0.04100000 -1888.67006186 -1894.00321089   161.80014284    -0.01683442     3.31683442 
+     420     0.04200000 -1888.66994386 -1893.60086344   149.59707422    -0.01746033     3.31746033 
+     430     0.04300000 -1888.66984078 -1893.24559860   138.82197278    -0.01809405     3.31809405 
+     440     0.04400000 -1888.66979419 -1893.09727893   134.32357877    -0.01873527     3.31873527 
+     450     0.04500000 -1888.66982159 -1893.22837461   138.30000376    -0.01938373     3.31938373 
+     460     0.04600000 -1888.66990991 -1893.59670402   149.47191350    -0.02003918     3.32003918 
+     470     0.04700000 -1888.67002193 -1894.06542618   163.68887740    -0.02070143     3.32070143 
+     480     0.04800000 -1888.67011408 -1894.46010861   175.66018436    -0.02137030     3.32137030 
+     490     0.04900000 -1888.67015195 -1894.63688117   181.02206322    -0.02204565     3.32204565 
+     500     0.05000000 -1888.67012178 -1894.53632241   177.97216884    -0.02272740     3.32272740 
+     510     0.05100000 -1888.67003782 -1894.20444750   167.90610440    -0.02341547     3.32341547 
+     520     0.05200000 -1888.66993171 -1893.77231086   154.79891357    -0.02410981     3.32410981 
+     530     0.05300000 -1888.66984524 -1893.40525947   143.66572040    -0.02481040     3.32481040 
+     540     0.05400000 -1888.66981428 -1893.23762103   138.58074854    -0.02551724     3.32551724 
+     550     0.05500000 -1888.66985024 -1893.31793613   141.01630314    -0.02623032     3.32623032 
+     560     0.05600000 -1888.66993756 -1893.59069032   149.28862746    -0.02694963     3.32694963 
+     570     0.05700000 -1888.67003871 -1893.92089591   159.30352583    -0.02767517     3.32767517 
+     580     0.05800000 -1888.67011342 -1894.15124772   166.28980520    -0.02840691     3.32840691 
+     590     0.05900000 -1888.67013211 -1894.16548061   166.72104344    -0.02914478     3.32914478 
+     600     0.06000000 -1888.67008732 -1893.93443338   159.71275857    -0.02988871     3.32988871 
+     610     0.06100000 -1888.66999458 -1893.52841675   147.39760649    -0.03063856     3.33063856 
+     620     0.06200000 -1888.66988829 -1893.09235041   134.17119966    -0.03139416     3.33139416 
+     630     0.06300000 -1888.66981016 -1892.79172036   125.05288241    -0.03215531     3.33215531 
+     640     0.06400000 -1888.66979281 -1892.74755409   123.71346729    -0.03292176     3.33292176 
+     650     0.06500000 -1888.66984352 -1892.98665478   130.96590321    -0.03369323     3.33369323 
+     660     0.06600000 -1888.66994264 -1893.42999887   144.41332385    -0.03446937     3.33446937 
+     670     0.06700000 -1888.67005253 -1893.92310700   159.37018803    -0.03524986     3.33524986 
+     680     0.06800000 -1888.67013328 -1894.29451600   170.63575807    -0.03603430     3.33603430 
+     690     0.06900000 -1888.67015472 -1894.41878137   174.40514195    -0.03682229     3.33682229 
+     700     0.07000000 -1888.67010916 -1894.26288055   169.67671536    -0.03761343     3.33761343 
+     710     0.07100000 -1888.67001386 -1893.89812923   158.61357122    -0.03840729     3.33840729 
+     720     0.07200000 -1888.66990397 -1893.47348765   145.73388461    -0.03920344     3.33920344 
+     730     0.07300000 -1888.66982231 -1893.15984859   136.22099965    -0.04000148     3.34000148 
+     740     0.07400000 -1888.66980129 -1893.08373765   133.91254030    -0.04080098     3.34080098 
+     750     0.07500000 -1888.66984814 -1893.27755530   139.79127022    -0.04160156     3.34160156 
+     760     0.07600000 -1888.66994235 -1893.66837384   151.64528962    -0.04240282     3.34240282 
+     770     0.07700000 -1888.67004573 -1894.10941225   165.02263022    -0.04320441     3.34320441 
+     780     0.07800000 -1888.67011722 -1894.43947564   175.03411433    -0.04400599     3.34400599 
+     790     0.07900000 -1888.67013317 -1894.54590490   178.26254255    -0.04480726     3.34480726 
+     800     0.08000000 -1888.67008771 -1894.40384162   173.95392409    -0.04560792     3.34560792 
+     810     0.08100000 -1888.66999942 -1894.08389023   164.24973325    -0.04640773     3.34640773 
+     820     0.08200000 -1888.66990467 -1893.72313999   153.30795968    -0.04720647     3.34720647 
+     830     0.08300000 -1888.66984387 -1893.46839210   145.58111627    -0.04800393     3.34800393 
+     840     0.08400000 -1888.66984175 -1893.41412556   143.93481091    -0.04879995     3.34879995 
+     850     0.08500000 -1888.66989690 -1893.56426173   148.48805548    -0.04959439     3.34959439 
+     860     0.08600000 -1888.66998242 -1893.83463738   156.68827289    -0.05038713     3.35038713 
+     870     0.08700000 -1888.67006191 -1894.09325064   164.53181916    -0.05117805     3.35117805 
+     880     0.08800000 -1888.67010292 -1894.21712680   168.28880099    -0.05196706     3.35196706 
+     890     0.08900000 -1888.67009013 -1894.14263970   166.02935659    -0.05275408     3.35275408 
+     900     0.09000000 -1888.67002911 -1893.89014590   158.37090593    -0.05353904     3.35353904 
+     910     0.09100000 -1888.66994346 -1893.55535729   148.21649476    -0.05432186     3.35432186 
+     920     0.09200000 -1888.66986545 -1893.27257968   139.63979183    -0.05510247     3.35510247 
+     930     0.09300000 -1888.66982750 -1893.16330910   136.32582951    -0.05588078     3.35588078 
+     940     0.09400000 -1888.66984650 -1893.28643304   140.06065783    -0.05665670     3.35665670 
+     950     0.09500000 -1888.66991522 -1893.61245361   149.94957262    -0.05743015     3.35743015 
+     960     0.09600000 -1888.67000710 -1894.03423941   162.74316510    -0.05820101     3.35820101 
+     970     0.09700000 -1888.67008668 -1894.40848044   174.09469033    -0.05896915     3.35896915 
+     980     0.09800000 -1888.67012456 -1894.61056787   180.22458605    -0.05973444     3.35973444 
+     990     0.09900000 -1888.67010627 -1894.58107679   179.33042341    -0.06049672     3.36049672 
+    1000     0.10000000 -1888.67004000 -1894.34773324   172.25312335    -0.06125581     3.36125581 
+Loop time of 2.60456 on 1 procs for 1000 steps with 256 atoms
+
+Performance: 3.317 ns/day, 7.235 hours/ns, 383.942 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5864     | 2.5864     | 2.5864     |   0.0 | 99.30
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0079134  | 0.0079134  | 0.0079134  |   0.0 |  0.30
+Output  | 0.0027175  | 0.0027175  | 0.0027175  |   0.0 |  0.10
+Modify  | 0.00419    | 0.00419    | 0.00419    |   0.0 |  0.16
+Other   |            | 0.00331    |            |       |  0.13
+
+Nlocal:    256 ave 256 max 256 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1721 ave 1721 max 1721 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    37312 ave 37312 max 37312 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  94592 ave 94592 max 94592 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 94592
+Ave neighs/atom = 369.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 b/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..13d402b5129d5d2a3a1dc19a7713851c2d91fff3
--- /dev/null
+++ b/examples/USER/misc/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4
@@ -0,0 +1,210 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      atomic
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       data.bilayer-graphene # read lammps data file
+  orthogonal box = (0 0 -20) to (17.04 19.6761 40)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  256 atoms
+  read_data CPU = 0.0488505 secs
+mass            1 12.0107   # carbon mass (g/mole) | membrane
+mass            2 12.0107   # carbon mass (g/mole) | adsorbate
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+# Separate atom groups
+group membrane  type 1
+128 atoms in group membrane
+group adsorbant type 2
+128 atoms in group adsorbant
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  rebo  kolmogorov/crespi/z 14.0
+####################################################################
+pair_coeff * * rebo                 CH.rebo  C C  # chemical
+Reading potential file CH.rebo with DATE: 2018-7-3
+pair_coeff 1 2 kolmogorov/crespi/z  CC.KC      C C  # long-range
+####################################################################
+
+#### Simulation settings ####
+timestep  0.0001
+velocity  all create 300.0 12345
+fix       thermostat all nve
+compute   COM1 membrane  com
+compute   COM2 adsorbant com
+############################
+
+# Output
+#dump            1 all xyz 100 trajec.xyz
+#dump_modify     1 format line "%s %12.6f %12.6f %12.6f" element "C" "C"
+thermo          10
+thermo_style    custom step time etotal pe temp c_COM1[3] c_COM2[3] # spcpu
+thermo_modify   line one format float %14.8f
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 16
+  ghost atom cutoff = 16
+  binsize = 8, bins = 3 3 8
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (2) pair kolmogorov/crespi/z, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.572 | 4.572 | 4.572 Mbytes
+Step Time TotEng PotEng Temp c_COM1[3] c_COM2[3] 
+       0     0.00000000 -1888.67041233 -1898.55881343   300.00000000     0.00000000     3.30000000 
+      10     0.00100000 -1888.67037240 -1898.21029916   289.42778520    -0.00020126     3.30020126 
+      20     0.00200000 -1888.67021561 -1897.22943631   259.67456089    -0.00041357     3.30041357 
+      30     0.00300000 -1888.66999327 -1895.86681330   218.34126559    -0.00063673     3.30063673 
+      40     0.00400000 -1888.66978373 -1894.47163849   176.02000692    -0.00087055     3.30087055 
+      50     0.00500000 -1888.66966087 -1893.37123396   142.63902861    -0.00111486     3.30111486 
+      60     0.00600000 -1888.66966151 -1892.75822768   124.04127204    -0.00136952     3.30136952 
+      70     0.00700000 -1888.66976993 -1892.63445770   120.28297806    -0.00163441     3.30163441 
+      80     0.00800000 -1888.66992887 -1892.83467481   126.35245790    -0.00190946     3.30190946 
+      90     0.00900000 -1888.67006887 -1893.11387088   134.81862143    -0.00219458     3.30219458 
+     100     0.01000000 -1888.67013641 -1893.25481870   139.09272852    -0.00248973     3.30248973 
+     110     0.01100000 -1888.67011221 -1893.15155809   135.96068294    -0.00279489     3.30279489 
+     120     0.01200000 -1888.67001516 -1892.84002980   126.51230266    -0.00311004     3.30311004 
+     130     0.01300000 -1888.66989017 -1892.47004258   115.29120969    -0.00343519     3.30343519 
+     140     0.01400000 -1888.66979250 -1892.23503136   108.16426724    -0.00377038     3.30377038 
+     150     0.01500000 -1888.66976498 -1892.28630603   109.72070258    -0.00411562     3.30411562 
+     160     0.01600000 -1888.66982073 -1892.66640631   121.25071190    -0.00447099     3.30447099 
+     170     0.01700000 -1888.66993810 -1893.28862656   140.12442720    -0.00483654     3.30483654 
+     180     0.01800000 -1888.67007037 -1893.97029277   160.80119589    -0.00521235     3.30521235 
+     190     0.01900000 -1888.67016732 -1894.50458806   177.00801243    -0.00559851     3.30559851 
+     200     0.02000000 -1888.67019479 -1894.73890125   184.11590729    -0.00599512     3.30599512 
+     210     0.02100000 -1888.67014440 -1894.62906034   180.78501933    -0.00640230     3.30640230 
+     220     0.02200000 -1888.67003699 -1894.25249122   169.36370739    -0.00682016     3.30682016 
+     230     0.02300000 -1888.66991405 -1893.77601632   154.91186768    -0.00724883     3.30724883 
+     240     0.02400000 -1888.66982545 -1893.38995103   143.20188490    -0.00768845     3.30768845 
+     250     0.02500000 -1888.66980650 -1893.23138955   138.39193054    -0.00813913     3.30813913 
+     260     0.02600000 -1888.66986149 -1893.32993943   141.38012473    -0.00860097     3.30860097 
+     270     0.02700000 -1888.66996324 -1893.60070625   149.59171759    -0.00907408     3.30907408 
+     280     0.02800000 -1888.67006705 -1893.88587245   158.24010430    -0.00955849     3.30955849 
+     290     0.02900000 -1888.67013001 -1894.02402688   162.42960290    -0.01005424     3.31005424 
+     300     0.03000000 -1888.67012741 -1893.91715254   159.18726627    -0.01056129     3.31056129 
+     310     0.03100000 -1888.67005750 -1893.57037262   148.66857854    -0.01107957     3.31107957 
+     320     0.03200000 -1888.66994592 -1893.09358639   134.20694885    -0.01160898     3.31160898 
+     330     0.03300000 -1888.66983608 -1892.66132683   121.09614209    -0.01214935     3.31214935 
+     340     0.03400000 -1888.66977429 -1892.44446364   114.51869677    -0.01270046     3.31270046 
+     350     0.03500000 -1888.66978845 -1892.53901254   117.38674604    -0.01326207     3.31326207 
+     360     0.03600000 -1888.66987459 -1892.92337308   129.04508370    -0.01383390     3.31383390 
+     370     0.03700000 -1888.66999819 -1893.46445589   145.45701553    -0.01441561     3.31441561 
+     380     0.03800000 -1888.67010979 -1893.97065536   160.81100019    -0.01500688     3.31500688 
+     390     0.03900000 -1888.67016559 -1894.26835837   169.84119248    -0.01560734     3.31560734 
+     400     0.04000000 -1888.67014686 -1894.26967995   169.88185548    -0.01621664     3.31621664 
+     410     0.04100000 -1888.67006186 -1894.00321089   161.80014284    -0.01683442     3.31683442 
+     420     0.04200000 -1888.66994386 -1893.60086344   149.59707422    -0.01746033     3.31746033 
+     430     0.04300000 -1888.66984078 -1893.24559860   138.82197278    -0.01809405     3.31809405 
+     440     0.04400000 -1888.66979419 -1893.09727893   134.32357877    -0.01873527     3.31873527 
+     450     0.04500000 -1888.66982159 -1893.22837461   138.30000376    -0.01938373     3.31938373 
+     460     0.04600000 -1888.66990991 -1893.59670402   149.47191350    -0.02003918     3.32003918 
+     470     0.04700000 -1888.67002193 -1894.06542618   163.68887740    -0.02070143     3.32070143 
+     480     0.04800000 -1888.67011408 -1894.46010861   175.66018436    -0.02137030     3.32137030 
+     490     0.04900000 -1888.67015195 -1894.63688117   181.02206322    -0.02204565     3.32204565 
+     500     0.05000000 -1888.67012178 -1894.53632241   177.97216884    -0.02272740     3.32272740 
+     510     0.05100000 -1888.67003782 -1894.20444750   167.90610440    -0.02341547     3.32341547 
+     520     0.05200000 -1888.66993171 -1893.77231086   154.79891357    -0.02410981     3.32410981 
+     530     0.05300000 -1888.66984524 -1893.40525947   143.66572040    -0.02481040     3.32481040 
+     540     0.05400000 -1888.66981428 -1893.23762103   138.58074854    -0.02551724     3.32551724 
+     550     0.05500000 -1888.66985024 -1893.31793613   141.01630314    -0.02623032     3.32623032 
+     560     0.05600000 -1888.66993756 -1893.59069032   149.28862746    -0.02694963     3.32694963 
+     570     0.05700000 -1888.67003871 -1893.92089591   159.30352583    -0.02767517     3.32767517 
+     580     0.05800000 -1888.67011342 -1894.15124772   166.28980520    -0.02840691     3.32840691 
+     590     0.05900000 -1888.67013211 -1894.16548061   166.72104344    -0.02914478     3.32914478 
+     600     0.06000000 -1888.67008732 -1893.93443338   159.71275857    -0.02988871     3.32988871 
+     610     0.06100000 -1888.66999458 -1893.52841675   147.39760649    -0.03063856     3.33063856 
+     620     0.06200000 -1888.66988829 -1893.09235041   134.17119966    -0.03139416     3.33139416 
+     630     0.06300000 -1888.66981016 -1892.79172036   125.05288241    -0.03215531     3.33215531 
+     640     0.06400000 -1888.66979281 -1892.74755409   123.71346729    -0.03292176     3.33292176 
+     650     0.06500000 -1888.66984352 -1892.98665478   130.96590321    -0.03369323     3.33369323 
+     660     0.06600000 -1888.66994264 -1893.42999887   144.41332385    -0.03446937     3.33446937 
+     670     0.06700000 -1888.67005253 -1893.92310700   159.37018803    -0.03524986     3.33524986 
+     680     0.06800000 -1888.67013328 -1894.29451600   170.63575807    -0.03603430     3.33603430 
+     690     0.06900000 -1888.67015472 -1894.41878137   174.40514195    -0.03682229     3.33682229 
+     700     0.07000000 -1888.67010916 -1894.26288055   169.67671536    -0.03761343     3.33761343 
+     710     0.07100000 -1888.67001386 -1893.89812923   158.61357122    -0.03840729     3.33840729 
+     720     0.07200000 -1888.66990397 -1893.47348765   145.73388461    -0.03920344     3.33920344 
+     730     0.07300000 -1888.66982231 -1893.15984859   136.22099965    -0.04000148     3.34000148 
+     740     0.07400000 -1888.66980129 -1893.08373765   133.91254030    -0.04080098     3.34080098 
+     750     0.07500000 -1888.66984814 -1893.27755530   139.79127022    -0.04160156     3.34160156 
+     760     0.07600000 -1888.66994235 -1893.66837384   151.64528962    -0.04240282     3.34240282 
+     770     0.07700000 -1888.67004573 -1894.10941225   165.02263022    -0.04320441     3.34320441 
+     780     0.07800000 -1888.67011722 -1894.43947564   175.03411433    -0.04400599     3.34400599 
+     790     0.07900000 -1888.67013317 -1894.54590490   178.26254255    -0.04480726     3.34480726 
+     800     0.08000000 -1888.67008771 -1894.40384162   173.95392409    -0.04560792     3.34560792 
+     810     0.08100000 -1888.66999942 -1894.08389023   164.24973325    -0.04640773     3.34640773 
+     820     0.08200000 -1888.66990467 -1893.72313999   153.30795968    -0.04720647     3.34720647 
+     830     0.08300000 -1888.66984387 -1893.46839210   145.58111627    -0.04800393     3.34800393 
+     840     0.08400000 -1888.66984175 -1893.41412556   143.93481091    -0.04879995     3.34879995 
+     850     0.08500000 -1888.66989690 -1893.56426173   148.48805548    -0.04959439     3.34959439 
+     860     0.08600000 -1888.66998242 -1893.83463738   156.68827289    -0.05038713     3.35038713 
+     870     0.08700000 -1888.67006191 -1894.09325064   164.53181916    -0.05117805     3.35117805 
+     880     0.08800000 -1888.67010292 -1894.21712680   168.28880099    -0.05196706     3.35196706 
+     890     0.08900000 -1888.67009013 -1894.14263970   166.02935659    -0.05275408     3.35275408 
+     900     0.09000000 -1888.67002911 -1893.89014590   158.37090593    -0.05353904     3.35353904 
+     910     0.09100000 -1888.66994346 -1893.55535729   148.21649476    -0.05432186     3.35432186 
+     920     0.09200000 -1888.66986545 -1893.27257968   139.63979183    -0.05510247     3.35510247 
+     930     0.09300000 -1888.66982750 -1893.16330910   136.32582951    -0.05588078     3.35588078 
+     940     0.09400000 -1888.66984650 -1893.28643304   140.06065783    -0.05665670     3.35665670 
+     950     0.09500000 -1888.66991522 -1893.61245361   149.94957262    -0.05743015     3.35743015 
+     960     0.09600000 -1888.67000710 -1894.03423941   162.74316510    -0.05820101     3.35820101 
+     970     0.09700000 -1888.67008668 -1894.40848044   174.09469033    -0.05896915     3.35896915 
+     980     0.09800000 -1888.67012456 -1894.61056787   180.22458605    -0.05973444     3.35973444 
+     990     0.09900000 -1888.67010627 -1894.58107679   179.33042341    -0.06049672     3.36049672 
+    1000     0.10000000 -1888.67004000 -1894.34773324   172.25312335    -0.06125581     3.36125581 
+Loop time of 1.55992 on 4 procs for 1000 steps with 256 atoms
+
+Performance: 5.539 ns/day, 4.333 hours/ns, 641.059 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.3161     | 1.3724     | 1.4128     |   3.0 | 87.98
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.11734    | 0.16017    | 0.21617    |   8.9 | 10.27
+Output  | 0.0032182  | 0.0051764  | 0.010916   |   4.6 |  0.33
+Modify  | 0.0020187  | 0.0022321  | 0.0026002  |   0.5 |  0.14
+Other   |            | 0.0199     |            |       |  1.28
+
+Nlocal:    64 ave 64 max 64 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    1265 ave 1265 max 1265 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    9328 ave 9328 max 9328 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  23648 ave 23648 max 23648 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 94592
+Ave neighs/atom = 369.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/README.md b/examples/USER/phonon/dynamical_matrix_command/Silicon/README.md
new file mode 100755
index 0000000000000000000000000000000000000000..15ae158c62ca1063a72e630f140877743e1deffa
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/README.md
@@ -0,0 +1,21 @@
+# LAMMPS LATTICE DYNAMICS COMMANDS
+
+## DYNAMICAL MATRIX CALCULATOR
+
+This directory contains the ingredients to calculate a dynamical matrix.  
+
+Example:
+```
+NP=4 #number of processors
+mpirun -np $NP lmp_mpi -in in.silicon -out out.silicon
+```
+
+To test out a different silicon example:
+```
+LMP_FILE=amorphous_silicon.lmp
+cp lmp_bank/$LMP_FILE ./silicon_input_file.lmp
+NP=4 #number of processors
+mpirun -np $NP lmp_mpi -in in.silicon -out out.silicon
+```
+
+## Requires: MANYBODY and MOLECULE packages
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/Si.opt.tersoff b/examples/USER/phonon/dynamical_matrix_command/Silicon/Si.opt.tersoff
new file mode 100755
index 0000000000000000000000000000000000000000..3bc19f05813a0ea96144bf98d2c368bf39569171
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/Si.opt.tersoff
@@ -0,0 +1,66 @@
+# Tersoff parameters for various elements and mixtures
+# multiple entries can be added to this file, LAMMPS reads the ones it needs
+# these entries are in LAMMPS "metal" units:
+#   A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
+#   other quantities are unitless
+
+# Aidan Thompson (athomps at sandia.gov) takes full blame for this
+# file.  It specifies various potentials published by J. Tersoff for
+# silicon, carbon and germanium. Since Tersoff published several
+# different silicon potentials, I refer to them using atom types
+# Si(B), Si(C) and Si(D). The last two are almost almost identical but
+# refer to two different publications. These names should be used in
+# the LAMMPS command when the file is invoked. For example:
+# pair_coeff * * SiCGe.tersoff Si(B).  The Si(D), C and Ge potentials
+# can be used pure silicon, pure carbon, pure germanium, binary SiC,
+# and binary SiGe, but not binary GeC or ternary SiGeC. LAMMPS will
+# generate an error if this file is used with any combination
+# involving C and Ge, since there are no entries for the GeC
+# interactions (Tersoff did not publish parameters for this
+# cross-interaction.)
+
+# format of a single entry (one or more lines):
+#   element 1, element 2, element 3, 
+#   m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
+
+# The original Tersoff potential for Silicon, Si(B)
+# J. Tersoff, PRB, 37, 6991 (1988) 
+
+Si(B)  Si(B)   Si(B)  3.0 1.0 1.3258 4.8381 2.0417 0.0000 22.956
+             0.33675  1.3258  95.373  3.0  0.2  3.2394  3264.7
+
+# The later Tersoff potential for Silicon, Si(C)
+# J. Tersoff, PRB, 38, 9902 (1988) 
+
+Si(C)  Si(C)   Si(C)  3.0 1.0 1.7322 1.0039e5 16.218 -0.59826 0.78734
+             1.0999e-6  1.7322  471.18  2.85  0.15  2.4799  1830.8
+
+# The later Tersoff potential for Carbon, Silicon, and Germanium
+# J. Tersoff, PRB, 39, 5566 (1989) + errata (PRB 41, 3248)
+# The Si and C parameters are very close to those in SiC.tersoff
+
+C      C       C         3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7  2.2119  346.74    1.95    0.15   3.4879  1393.6
+Si(D)  Si(D)   Si(D)     3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6  1.7322  471.18    2.85    0.15   2.4799  1830.8
+Ge     Ge      Ge        3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7  1.7047  419.23    2.95    0.15   2.4451  1769.0
+
+C      Si(D)   Si(D)     3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7  1.97205 395.1451  2.3573  0.1527 2.9839  1597.3111
+C      Si(D)   C         3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 0.0        0.0     0.0       1.95    0.15   0.0     0.0
+C      C       Si(D)     3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 0.0        0.0     0.0       2.3573  0.1527 0.0     0.0
+
+Si(D)  C       C         3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6  1.97205 395.1451  2.3573  0.1527 2.9839  1597.3111
+Si(D)  Si(D)   C         3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0        0.0     0.0       2.3573  0.1527 0.0     0.0
+Si(D)  C       Si(D)     3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0        0.0     0.0       2.85    0.15   0.0     0.0
+ 
+Si(D)  Ge      Ge        3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6  1.71845 444.7177  2.8996  0.1500 2.4625  1799.6347
+Si(D)  Si(D)   Ge        3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0        0.0     0.0       2.8996  0.1500 0.0     0.0
+Si(D)  Ge      Si(D)     3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0        0.0     0.0       2.85    0.15   0.0     0.0
+ 
+Ge     Si(D)   Si(D)     3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7  1.71845 444.7177  2.8996  0.1500 2.4625  1799.6347
+Ge     Si(D)   Ge        3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0        0.0     0.0       2.95    0.15   0.0     0.0
+Ge     Ge      Si(D)     3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0        0.0     0.0       2.8996  0.1500 0.0     0.0
+
+# Optimized Tersoff for Carbon: Lindsay and Broido PRB 81, 205441 (2010) 
+#   element 1, element 2, element 3, 
+#   m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
+C(O)    C(O)   C(O)     3.0 1.0 0.0 3.8049e4 4.3484 -0.930 0.72751 1.5724e-7  2.2119  430.0    1.95    0.15   3.4879  1393.6
+
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/ff-silicon.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/ff-silicon.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..f3b895f1682bd7abd1276d2cb53a55449a3a0926
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/ff-silicon.lmp
@@ -0,0 +1,19 @@
+#############################
+#Atoms types - mass - charge#
+#############################
+#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#
+
+variable Si equal 1
+
+#############
+#Atom Masses#
+#############
+
+mass ${Si}     28.08550 
+
+###########################
+#Pair Potentials - Tersoff#
+###########################
+
+pair_style      tersoff
+pair_coeff      * *  Si.opt.tersoff Si(D)
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/in.silicon b/examples/USER/phonon/dynamical_matrix_command/Silicon/in.silicon
new file mode 100755
index 0000000000000000000000000000000000000000..cda0ee8c58abb4238b5b629937745691cba61363
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/in.silicon
@@ -0,0 +1,89 @@
+###############################mm
+# Atom style - charge/vdw/bonded#
+#################################
+atom_style full
+
+##############################################
+#Units Metal : eV       - ps - angstrom - bar#
+#      Real  : kcal/mol - fs - angstrom - atm#
+##############################################
+units   	metal
+
+############
+#Run number#
+############
+variable run_no   equal   0             # is it a restart? 
+variable res_no   equal   ${run_no}-1   # restart file number 
+
+#######################################
+#Random Seeds and Domain Decomposition#
+#######################################
+variable iseed0 equal 2357  
+variable iseed1 equal 26488 
+variable iseed2 equal 10669 
+processors      * * *
+
+###########
+#Data File#
+###########
+variable inpfile   string   silicon_input_file.lmp
+variable resfile   string   final_restart.${res_no}
+variable ff_file   string   ff-silicon.lmp
+
+##########
+#Run Type#
+##########
+variable minimise equal    0   #Energy Minimization
+
+###############################
+#Molecular Dynamics Parameters#
+###############################
+neighbor 1 bin
+
+################################
+#Energy Minimization Parameters#
+################################
+variable mtraj    equal        1       # trajectory output frequency - all system
+variable etol     equal     1e-5       # % change in energy
+variable ftol     equal     1e-5       # max force threshold (force units)
+variable maxiter  equal    10000       # max # of iterations
+
+########################
+#3D Periodic Simulation#
+########################
+boundary 	p p p
+
+#############################
+#Reading the input structure#
+#############################
+if "${run_no} == 0" then "read_data ${inpfile}" else "read_restart ${resfile}"
+
+#############
+#Force Field#
+#############
+include ${ff_file}
+
+######################
+#Thermodynamic Output#
+######################
+variable str_basic string 'step time pe temp press'
+
+#####################
+#Energy Minimization#
+#####################
+if "${minimise} <= 0 || ${run_no} > 0" then "jump SELF end_minimise"
+  print "Doing CG minimisation"
+  dump mdcd all dcd ${mtraj} min.dcd
+  dump_modify mdcd unwrap yes
+  min_style cg
+  min_modify line quadratic
+  minimize ${etol} ${ftol} ${maxiter} ${maxiter}
+  reset_timestep 0
+  undump mdcd
+label end_minimise
+
+##################
+#Dynamical Matrix#
+##################
+dynamical_matrix all eskm 0.000001 file dynmat.dat binary no
+
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/amorphous_silicon.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/amorphous_silicon.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..036ece0279150d953186a32b46f52bf1d5094e8e
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/amorphous_silicon.lmp
@@ -0,0 +1,534 @@
+LAMMPS description
+
+     512      atoms    
+       0      bonds    
+       0      angles   
+       0      dihedrals
+       0      impropers
+
+       1      atom types    
+       0      bond types    
+       0      angle types   
+       0      dihedral types
+       0      improper types
+
+
+  0.0000000      21.848000     xlo xhi
+  0.0000000      21.848000     ylo yhi
+  0.0000000      21.848000     zlo zhi
+
+ Atoms
+
+      1      1      1      0.0000000      6.2030000      5.5980000     12.9980000
+      2      2      1      0.0000000     21.3100000      5.6310000     21.1380000
+      3      3      1      0.0000000     19.5320000      6.1170000      3.6940000
+      4      4      1      0.0000000      4.3700000     14.0260000      0.0900000
+      5      5      1      0.0000000     10.1930000      7.4590000      2.3530000
+      6      6      1      0.0000000     17.5070000     14.1860000      3.6790000
+      7      7      1      0.0000000     11.2050000     15.9160000     15.0480000
+      8      8      1      0.0000000      8.6050000     19.8970000     21.0040000
+      9      9      1      0.0000000     15.0360000     17.5650000      1.3640000
+     10     10      1      0.0000000     12.0450000      3.3600000      7.2720000
+     11     11      1      0.0000000      7.1330000     17.4130000     18.0480000
+     12     12      1      0.0000000      8.7340000      6.3830000      3.8480000
+     13     13      1      0.0000000     13.0940000      3.2490000      3.5840000
+     14     14      1      0.0000000     11.3200000      7.2770000     20.4120000
+     15     15      1      0.0000000     19.7770000      8.9110000      0.3000000
+     16     16      1      0.0000000     11.9710000     20.8500000      1.5140000
+     17     17      1      0.0000000     10.4480000     10.3650000     15.4040000
+     18     18      1      0.0000000      9.2060000      9.4670000     10.2240000
+     19     19      1      0.0000000      8.4360000     13.6240000     17.6570000
+     20     20      1      0.0000000     18.2020000     21.1230000      0.1380000
+     21     21      1      0.0000000      3.2970000     19.5740000     14.7410000
+     22     22      1      0.0000000     12.5330000     17.3580000      7.5960000
+     23     23      1      0.0000000      1.4040000     18.1060000      3.1510000
+     24     24      1      0.0000000     17.7440000     13.1530000     16.7940000
+     25     25      1      0.0000000     12.1070000     12.6630000     18.0340000
+     26     26      1      0.0000000      8.7270000     17.1140000     10.4200000
+     27     27      1      0.0000000     13.2330000     16.0380000     13.9210000
+     28     28      1      0.0000000     15.2360000     14.8650000      7.0150000
+     29     29      1      0.0000000      5.5190000     20.8660000     19.9260000
+     30     30      1      0.0000000     16.5810000      9.7460000     15.1710000
+     31     31      1      0.0000000      2.0500000     13.8550000     21.8010000
+     32     32      1      0.0000000     21.2670000     20.8970000     13.6740000
+     33     33      1      0.0000000      9.6900000      6.7650000      0.1950000
+     34     34      1      0.0000000     11.2570000     13.2440000      2.8190000
+     35     35      1      0.0000000     10.7810000     12.7310000     12.1920000
+     36     36      1      0.0000000     16.2630000      7.4100000      1.5360000
+     37     37      1      0.0000000     19.6100000     18.1440000     19.6830000
+     38     38      1      0.0000000      8.1790000      0.1200000     10.1620000
+     39     39      1      0.0000000     17.0520000     20.4210000     15.0450000
+     40     40      1      0.0000000     12.3690000     12.6710000      4.8320000
+     41     41      1      0.0000000      7.8300000     16.6790000     14.2470000
+     42     42      1      0.0000000      1.6790000      9.9500000      1.2660000
+     43     43      1      0.0000000     16.6160000     14.6580000     13.2790000
+     44     44      1      0.0000000     13.7430000     11.9730000     21.5360000
+     45     45      1      0.0000000      5.2590000     15.1850000      9.5720000
+     46     46      1      0.0000000     20.5980000     14.7930000     20.4140000
+     47     47      1      0.0000000      1.5640000     16.8080000     13.0450000
+     48     48      1      0.0000000     21.3670000     11.4610000     20.6420000
+     49     49      1      0.0000000     14.5890000      5.9510000      7.1950000
+     50     50      1      0.0000000      1.0870000     13.5410000     11.3300000
+     51     51      1      0.0000000      6.2040000      4.8970000     16.9420000
+     52     52      1      0.0000000      0.4800000      4.1450000      0.8710000
+     53     53      1      0.0000000      2.0120000      5.7530000      1.8950000
+     54     54      1      0.0000000      9.8460000     19.1320000      7.3060000
+     55     55      1      0.0000000     18.3760000     21.3430000      4.0940000
+     56     56      1      0.0000000      5.2900000      6.5400000      5.3620000
+     57     57      1      0.0000000      1.4110000      6.5750000      4.0580000
+     58     58      1      0.0000000     16.1600000     15.1390000     11.0380000
+     59     59      1      0.0000000     21.0670000     18.3830000      8.6900000
+     60     60      1      0.0000000     18.0250000     17.7750000      1.4340000
+     61     61      1      0.0000000     19.0570000     16.2190000      6.6410000
+     62     62      1      0.0000000      5.1170000     16.5510000     11.5540000
+     63     63      1      0.0000000     14.4810000      7.8720000     12.6320000
+     64     64      1      0.0000000     11.7990000     10.9690000     13.5430000
+     65     65      1      0.0000000     11.2980000     18.5410000      1.5740000
+     66     66      1      0.0000000     16.1280000     19.0390000     19.6440000
+     67     67      1      0.0000000      6.0950000      7.0580000      9.6530000
+     68     68      1      0.0000000      5.3890000     20.2540000     10.7060000
+     69     69      1      0.0000000     17.9160000     18.9070000     21.1540000
+     70     70      1      0.0000000     13.0780000      2.1790000     17.4030000
+     71     71      1      0.0000000      8.0450000     14.3440000     14.0640000
+     72     72      1      0.0000000     14.4380000      6.8780000     14.6950000
+     73     73      1      0.0000000      0.4570000     21.6180000      8.3670000
+     74     74      1      0.0000000      6.4350000     16.9720000     21.7330000
+     75     75      1      0.0000000      8.0530000      4.0310000     20.1860000
+     76     76      1      0.0000000      6.8130000     19.7870000     12.5790000
+     77     77      1      0.0000000     19.0490000     10.8480000      6.0760000
+     78     78      1      0.0000000      2.2540000      7.7370000      0.5320000
+     79     79      1      0.0000000     16.3920000      9.0880000      3.1430000
+     80     80      1      0.0000000      2.3620000      2.5500000      7.5690000
+     81     81      1      0.0000000     16.4560000     18.5670000      3.1120000
+     82     82      1      0.0000000      8.9560000     21.0830000     12.3020000
+     83     83      1      0.0000000     20.5540000      8.9280000      5.9480000
+     84     84      1      0.0000000     13.5930000      8.4890000     16.2370000
+     85     85      1      0.0000000      9.5270000     18.0720000      3.0190000
+     86     86      1      0.0000000     11.3690000     15.3870000      7.1310000
+     87     87      1      0.0000000      8.3670000     13.3960000     11.8610000
+     88     88      1      0.0000000     14.6370000     11.4110000     11.4870000
+     89     89      1      0.0000000      8.4720000     16.0650000      2.4300000
+     90     90      1      0.0000000      8.2360000      5.2200000     18.1710000
+     91     91      1      0.0000000     11.0620000      2.8760000      0.4170000
+     92     92      1      0.0000000     14.0830000      1.3550000     14.0190000
+     93     93      1      0.0000000     20.5600000      4.1900000     19.4660000
+     94     94      1      0.0000000      4.6340000     13.0980000     10.3670000
+     95     95      1      0.0000000     19.9860000     15.5670000     11.7860000
+     96     96      1      0.0000000     21.5070000      4.1860000     14.8350000
+     97     97      1      0.0000000      3.3000000     11.2060000      2.5350000
+     98     98      1      0.0000000     19.2680000     21.0240000     10.9110000
+     99     99      1      0.0000000     12.2370000     19.4650000     19.9000000
+    100    100      1      0.0000000      8.3790000      9.6670000     14.5440000
+    101    101      1      0.0000000      5.4520000     19.1660000      5.6940000
+    102    102      1      0.0000000     15.8720000     15.4140000      0.3070000
+    103    103      1      0.0000000      6.9830000     19.1480000      0.5830000
+    104    104      1      0.0000000      7.9760000     18.3420000      8.5250000
+    105    105      1      0.0000000     13.9710000      6.7570000      1.1860000
+    106    106      1      0.0000000     18.7050000      7.2110000      9.2350000
+    107    107      1      0.0000000      3.2430000     13.6330000     12.1990000
+    108    108      1      0.0000000      1.9830000     10.8340000      5.4640000
+    109    109      1      0.0000000     16.5770000      5.0400000     11.4490000
+    110    110      1      0.0000000      9.5130000      6.2390000     14.3030000
+    111    111      1      0.0000000     14.1990000      4.0910000     16.7750000
+    112    112      1      0.0000000      8.0160000      3.5600000      2.0280000
+    113    113      1      0.0000000      7.9650000     12.1700000      7.8050000
+    114    114      1      0.0000000      0.3770000      0.0320000     15.5780000
+    115    115      1      0.0000000     19.0860000     17.5690000     12.6230000
+    116    116      1      0.0000000     17.2970000     16.8030000     13.9660000
+    117    117      1      0.0000000      6.7180000     10.5880000     19.5790000
+    118    118      1      0.0000000     21.3930000     21.2940000      6.2410000
+    119    119      1      0.0000000     16.0260000     18.7640000     13.6100000
+    120    120      1      0.0000000      3.1880000      2.1990000     18.5690000
+    121    121      1      0.0000000     20.7860000     13.7840000      4.4870000
+    122    122      1      0.0000000     18.3540000     11.7960000     11.0710000
+    123    123      1      0.0000000     19.3210000      0.4960000      5.9630000
+    124    124      1      0.0000000      3.7260000     13.4120000     18.4840000
+    125    125      1      0.0000000      4.4280000      4.9270000     18.4730000
+    126    126      1      0.0000000      2.7040000     21.7660000     15.2940000
+    127    127      1      0.0000000      9.3640000     14.3230000      3.7130000
+    128    128      1      0.0000000     20.5800000      3.3360000      7.9310000
+    129    129      1      0.0000000      2.4060000      4.1320000     17.3120000
+    130    130      1      0.0000000      0.9210000      2.6080000     11.0930000
+    131    131      1      0.0000000     13.7900000      9.5610000      8.2490000
+    132    132      1      0.0000000      5.5210000      8.6760000      2.5590000
+    133    133      1      0.0000000     11.1320000     11.1160000      6.1310000
+    134    134      1      0.0000000      1.6180000      6.5650000     10.7690000
+    135    135      1      0.0000000     21.0480000     17.3880000      3.1250000
+    136    136      1      0.0000000      2.5950000     13.3430000      3.3870000
+    137    137      1      0.0000000      1.8600000      4.7830000     14.1190000
+    138    138      1      0.0000000      1.2420000     12.9340000      9.0760000
+    139    139      1      0.0000000      2.2650000      8.2300000      7.4350000
+    140    140      1      0.0000000     10.9360000     17.8140000     10.9520000
+    141    141      1      0.0000000     10.3160000     13.8030000     14.5060000
+    142    142      1      0.0000000     11.0500000      2.5760000     12.8090000
+    143    143      1      0.0000000     18.3430000     15.3950000     10.0190000
+    144    144      1      0.0000000      8.2990000      0.3320000      5.4980000
+    145    145      1      0.0000000     17.9730000      3.4330000     17.4260000
+    146    146      1      0.0000000      0.8080000      7.5530000     20.4740000
+    147    147      1      0.0000000     20.6320000     14.4730000      6.7080000
+    148    148      1      0.0000000     19.3400000      2.8450000      5.9340000
+    149    149      1      0.0000000      5.2100000      0.9290000      6.2580000
+    150    150      1      0.0000000      8.6370000      4.0920000      9.2870000
+    151    151      1      0.0000000     16.5730000      2.0050000      1.7720000
+    152    152      1      0.0000000     14.6570000     14.1440000     14.4910000
+    153    153      1      0.0000000     11.1610000      6.0610000     15.8870000
+    154    154      1      0.0000000      3.8100000      4.2040000      2.1350000
+    155    155      1      0.0000000     18.6920000     11.8180000     18.5170000
+    156    156      1      0.0000000     20.4240000     10.6340000     10.7960000
+    157    157      1      0.0000000      8.9050000      9.9220000     20.2310000
+    158    158      1      0.0000000      7.7940000     19.5410000      2.7410000
+    159    159      1      0.0000000      2.7600000     18.2100000      9.0140000
+    160    160      1      0.0000000     11.7480000      5.0280000      4.3170000
+    161    161      1      0.0000000     20.6470000      3.0010000      2.1470000
+    162    162      1      0.0000000      6.5680000     11.9510000     11.1410000
+    163    163      1      0.0000000     18.0300000      5.6700000     13.1650000
+    164    164      1      0.0000000     15.8950000     17.4810000     17.7940000
+    165    165      1      0.0000000      0.6840000     12.2180000      4.0930000
+    166    166      1      0.0000000      0.9170000      0.0080000      0.9710000
+    167    167      1      0.0000000      1.5850000     18.4470000     16.1470000
+    168    168      1      0.0000000     13.1970000      2.0830000      5.6040000
+    169    169      1      0.0000000     13.4220000      1.6690000     19.6280000
+    170    170      1      0.0000000      7.2980000     15.5410000      6.4330000
+    171    171      1      0.0000000     11.8930000      0.1240000      5.2450000
+    172    172      1      0.0000000     21.5410000      5.4260000      7.3690000
+    173    173      1      0.0000000      6.2310000     17.4900000      7.1340000
+    174    174      1      0.0000000     20.3880000     18.7320000     14.2000000
+    175    175      1      0.0000000     15.0410000     20.5060000      3.2370000
+    176    176      1      0.0000000     19.8180000      7.0070000      7.1800000
+    177    177      1      0.0000000      8.4660000      2.7180000      5.7470000
+    178    178      1      0.0000000      5.4480000     10.4180000      6.1220000
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+    180    180      1      0.0000000      7.1820000     12.9370000     19.5560000
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+    182    182      1      0.0000000     10.9080000     11.2050000      1.6360000
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+    184    184      1      0.0000000      8.0040000      7.5690000     15.4890000
+    185    185      1      0.0000000      8.0790000      6.2840000      8.6400000
+    186    186      1      0.0000000     18.9520000     12.1530000      4.0530000
+    187    187      1      0.0000000     10.3010000     12.0820000      8.1320000
+    188    188      1      0.0000000     14.4560000     11.6780000      4.7170000
+    189    189      1      0.0000000      7.1020000     21.2750000     15.8180000
+    190    190      1      0.0000000     13.1170000     20.7170000      9.0870000
+    191    191      1      0.0000000      5.3560000      2.2610000     12.5060000
+    192    192      1      0.0000000     17.3690000     11.1000000      2.4870000
+    193    193      1      0.0000000     15.9510000      5.0030000     20.2280000
+    194    194      1      0.0000000      3.3320000     11.8950000      8.8170000
+    195    195      1      0.0000000      8.2450000      1.7100000     19.8310000
+    196    196      1      0.0000000      9.0600000     15.9380000     18.2990000
+    197    197      1      0.0000000     10.3120000     12.4780000     16.5400000
+    198    198      1      0.0000000     21.2690000      2.1440000     16.1630000
+    199    199      1      0.0000000     20.7920000     11.3890000      2.6870000
+    200    200      1      0.0000000      5.5190000     10.8650000     12.9180000
+    201    201      1      0.0000000     13.1600000     14.6530000      5.7980000
+    202    202      1      0.0000000      9.4110000      4.0280000      3.9640000
+    203    203      1      0.0000000     10.1160000     21.3800000      6.7070000
+    204    204      1      0.0000000     18.8050000     17.5440000      8.7540000
+    205    205      1      0.0000000      0.2690000     20.1700000     17.2400000
+    206    206      1      0.0000000     14.6190000     13.4340000     10.3480000
+    207    207      1      0.0000000     14.9800000      3.6520000      2.2770000
+    208    208      1      0.0000000     10.4210000      1.4390000     14.8540000
+    209    209      1      0.0000000      2.8950000      8.5990000     11.0640000
+    210    210      1      0.0000000      8.3350000      0.6070000     14.2020000
+    211    211      1      0.0000000      5.6790000      2.9730000     15.7800000
+    212    212      1      0.0000000      7.9000000      8.2920000     21.6460000
+    213    213      1      0.0000000      1.7820000     17.8720000      5.4810000
+    214    214      1      0.0000000      7.1130000      2.5790000     13.9770000
+    215    215      1      0.0000000     14.4580000      4.6660000      0.2210000
+    216    216      1      0.0000000      2.6400000      9.9660000     17.7570000
+    217    217      1      0.0000000     12.9280000     10.2110000     10.3600000
+    218    218      1      0.0000000      0.5090000      2.0800000      8.8230000
+    219    219      1      0.0000000      0.9650000     20.6540000     11.9240000
+    220    220      1      0.0000000     19.5740000     21.0310000      2.1230000
+    221    221      1      0.0000000     18.6770000      7.8820000     12.9890000
+    222    222      1      0.0000000     17.1700000      3.9160000      5.7110000
+    223    223      1      0.0000000      7.0920000     12.0700000      1.6960000
+    224    224      1      0.0000000      2.6840000     17.0880000      1.3490000
+    225    225      1      0.0000000      5.4860000     16.7240000     19.5970000
+    226    226      1      0.0000000     16.3220000      3.8420000     15.8790000
+    227    227      1      0.0000000      3.8940000      2.4920000      0.4900000
+    228    228      1      0.0000000     13.2430000      3.5150000     13.0570000
+    229    229      1      0.0000000     13.3010000     21.5940000     12.5150000
+    230    230      1      0.0000000      4.9010000     11.9630000      0.9870000
+    231    231      1      0.0000000     12.6700000     14.8980000     18.4670000
+    232    232      1      0.0000000      6.4220000      6.6170000      3.2980000
+    233    233      1      0.0000000     16.6360000      5.9910000     15.0630000
+    234    234      1      0.0000000     17.9000000     15.3980000      1.6090000
+    235    235      1      0.0000000     18.1580000      0.8480000      9.7210000
+    236    236      1      0.0000000     20.2850000      4.8230000     12.9090000
+    237    237      1      0.0000000      1.6610000      2.7360000      5.3350000
+    238    238      1      0.0000000      5.8340000      0.9980000     16.9740000
+    239    239      1      0.0000000      9.0090000      7.7870000      5.7310000
+    240    240      1      0.0000000     16.1890000      4.3150000      7.8490000
+    241    241      1      0.0000000     16.5840000      8.9600000     12.9530000
+    242    242      1      0.0000000      4.8520000     10.4780000     21.0310000
+    243    243      1      0.0000000      2.7810000     16.7740000     17.2520000
+    244    244      1      0.0000000     19.7990000     10.0200000     15.9170000
+    245    245      1      0.0000000      3.1690000      7.6710000      5.2800000
+    246    246      1      0.0000000     15.1980000      2.3520000      8.6870000
+    247    247      1      0.0000000     16.3130000      2.2040000     14.2110000
+    248    248      1      0.0000000      6.3140000      2.9350000      6.7010000
+    249    249      1      0.0000000      8.2590000      4.5060000     13.2730000
+    250    250      1      0.0000000     13.9300000     18.2210000     14.4470000
+    251    251      1      0.0000000     20.2210000      7.9620000     14.8160000
+    252    252      1      0.0000000      1.6700000     11.5910000     21.3490000
+    253    253      1      0.0000000     11.2380000     16.3450000     17.3670000
+    254    254      1      0.0000000      2.0800000     20.2850000      2.3410000
+    255    255      1      0.0000000     13.5570000     16.5190000      4.3840000
+    256    256      1      0.0000000      7.4220000     19.6120000     18.9900000
+    257    257      1      0.0000000     12.9300000     16.8740000      2.1540000
+    258    258      1      0.0000000     14.8300000     17.0150000     10.5830000
+    259    259      1      0.0000000      9.9680000     16.3050000     20.5360000
+    260    260      1      0.0000000     20.9510000     14.9180000     15.5360000
+    261    261      1      0.0000000     21.2710000      0.7830000      2.5700000
+    262    262      1      0.0000000      7.5010000     11.4110000      5.6070000
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+    492    492      1      0.0000000      8.8200000     14.8310000     10.0110000
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+    503    503      1      0.0000000      3.3760000     17.8650000     19.2940000
+    504    504      1      0.0000000     16.3760000      0.5870000      3.6340000
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+    507    507      1      0.0000000     16.9190000      8.1780000      5.2430000
+    508    508      1      0.0000000      6.9450000      7.4210000      6.8040000
+    509    509      1      0.0000000     11.6120000     21.2610000     15.3620000
+    510    510      1      0.0000000     18.0500000      0.6840000     14.5470000
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+    512    512      1      0.0000000     18.0190000     10.7210000      0.2160000
+
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_216.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_216.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..893d75e69b3204593213112b8a4942f11670c8c9
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_216.lmp
@@ -0,0 +1,238 @@
+LAMMPS description
+
+     216      atoms    
+       0      bonds    
+       0      angles   
+       0      dihedrals
+       0      impropers
+
+       1      atom types    
+       0      bond types    
+       0      angle types   
+       0      dihedral types
+       0      improper types
+
+
+  0.0000000      16.293000     xlo xhi
+  0.0000000      16.293000     ylo yhi
+  0.0000000      16.293000     zlo zhi
+
+ Atoms
+
+      1      1      1      0.0000000      0.0000000      0.0000000      0.0000000
+      2      2      1      0.0000000      0.0000000      2.7160000      2.7160000
+      3      3      1      0.0000000      2.7160000      2.7160000      0.0000000
+      4      4      1      0.0000000      2.7160000      0.0000000      2.7160000
+      5      5      1      0.0000000      4.0730000      1.3580000      4.0730000
+      6      6      1      0.0000000      1.3580000      1.3580000      1.3580000
+      7      7      1      0.0000000      1.3580000      4.0730000      4.0730000
+      8      8      1      0.0000000      4.0730000      4.0730000      1.3580000
+      9      9      1      0.0000000      0.0000000      0.0000000      5.4310000
+     10     10      1      0.0000000      0.0000000      2.7160000      8.1460000
+     11     11      1      0.0000000      2.7160000      2.7160000      5.4310000
+     12     12      1      0.0000000      2.7160000      0.0000000      8.1460000
+     13     13      1      0.0000000      4.0730000      1.3580000      9.5040000
+     14     14      1      0.0000000      1.3580000      1.3580000      6.7890000
+     15     15      1      0.0000000      1.3580000      4.0730000      9.5040000
+     16     16      1      0.0000000      4.0730000      4.0730000      6.7890000
+     17     17      1      0.0000000      0.0000000      0.0000000     10.8620000
+     18     18      1      0.0000000      0.0000000      2.7160000     13.5780000
+     19     19      1      0.0000000      2.7160000      2.7160000     10.8620000
+     20     20      1      0.0000000      2.7160000      0.0000000     13.5780000
+     21     21      1      0.0000000      4.0730000      1.3580000     14.9350000
+     22     22      1      0.0000000      1.3580000      1.3580000     12.2200000
+     23     23      1      0.0000000      1.3580000      4.0730000     14.9350000
+     24     24      1      0.0000000      4.0730000      4.0730000     12.2200000
+     25     25      1      0.0000000      0.0000000      5.4310000      0.0000000
+     26     26      1      0.0000000      0.0000000      8.1460000      2.7160000
+     27     27      1      0.0000000      2.7160000      8.1460000      0.0000000
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+     31     31      1      0.0000000      1.3580000      9.5040000      4.0730000
+     32     32      1      0.0000000      4.0730000      9.5040000      1.3580000
+     33     33      1      0.0000000      0.0000000      5.4310000      5.4310000
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+     35     35      1      0.0000000      2.7160000      8.1460000      5.4310000
+     36     36      1      0.0000000      2.7160000      5.4310000      8.1460000
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+     44     44      1      0.0000000      2.7160000      5.4310000     13.5780000
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+    208    208      1      0.0000000     14.9350000     14.9350000      6.7890000
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+    211    211      1      0.0000000     13.5780000     13.5780000     10.8620000
+    212    212      1      0.0000000     13.5780000     10.8620000     13.5780000
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+    214    214      1      0.0000000     12.2200000     12.2200000     12.2200000
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+    216    216      1      0.0000000     14.9350000     14.9350000     12.2200000
+
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_512.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_512.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..8c1ecd30bd51bf642f7e951ddaa78e1b2098809f
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_512.lmp
@@ -0,0 +1,534 @@
+LAMMPS description
+
+     512      atoms    
+       0      bonds    
+       0      angles   
+       0      dihedrals
+       0      impropers
+
+       1      atom types    
+       0      bond types    
+       0      angle types   
+       0      dihedral types
+       0      improper types
+
+
+  0.0000000      21.724000     xlo xhi
+  0.0000000      21.724000     ylo yhi
+  0.0000000      21.724000     zlo zhi
+
+ Atoms
+
+      1      1      1      0.0000000      0.0000000      0.0000000      0.0000000
+      2      2      1      0.0000000      0.0000000      2.7150000      2.7150000
+      3      3      1      0.0000000      2.7150000      2.7150000      0.0000000
+      4      4      1      0.0000000      2.7150000      0.0000000      2.7150000
+      5      5      1      0.0000000      4.0730000      1.3580000      4.0730000
+      6      6      1      0.0000000      1.3580000      1.3580000      1.3580000
+      7      7      1      0.0000000      1.3580000      4.0730000      4.0730000
+      8      8      1      0.0000000      4.0730000      4.0730000      1.3580000
+      9      9      1      0.0000000      0.0000000      0.0000000      5.4310000
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+     11     11      1      0.0000000      2.7150000      2.7150000      5.4310000
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diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_8.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_8.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..50660498955e5c259900b6308ac232183b886172
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_8.lmp
@@ -0,0 +1,29 @@
+LAMMPS description
+
+       8      atoms    
+       0      bonds    
+       0      angles   
+       0      dihedrals
+       0      impropers
+
+       1      atom types    
+       0      bond types    
+       0      angle types   
+       0      dihedral types
+       0      improper types
+
+
+  0.0000000      5.4310000     xlo xhi
+  0.0000000      5.4310000     ylo yhi
+  0.0000000      5.4310000     zlo zhi
+
+ Atoms
+
+      1      1      1      0.0000000      0.0000000      0.0000000      0.0000000
+      2      2      1      0.0000000      1.3577500      1.3577500      1.3572000
+      3      3      1      0.0000000      2.7155000      2.7155000      0.0000000
+      4      4      1      0.0000000      4.0732500      4.0732500      1.3572000
+      5      5      1      0.0000000      2.7155000      0.0000000      2.7144000
+      6      6      1      0.0000000      4.0732500      1.3577500      4.0732500
+      7      7      1      0.0000000      0.0000000      2.7155000      2.7155000
+      8      8      1      0.0000000      1.3577500      4.0732500      4.0732500
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/results/dynmat.dat b/examples/USER/phonon/dynamical_matrix_command/Silicon/results/dynmat.dat
new file mode 100755
index 0000000000000000000000000000000000000000..676f8974160f8835efe89ce9a0ce277f0ed2a93e
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/results/dynmat.dat
@@ -0,0 +1,192 @@
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+-861.74281406 -861.74281421 -1275.71086938
+-1276.01088968 861.66402284 861.60900330
+83.46947136 0.16714109 -0.06108436
+-1276.15175722 861.54714957 -861.52691391
+-193.17596141 -0.16730510 -0.02099527
+-1273.31334666 -858.38273281 858.80488124
+-193.21058304 -0.11920641 0.12012636
+-1276.19187285 -861.66400087 -861.74280773
+5404.58493638 -3.04507565 2.81778602
+861.54715133 -1276.15175913 -861.52691490
+-0.16730502 -193.17596118 -0.02099497
+861.66402314 -1276.01088976 861.60900383
+0.16714125 83.46947151 -0.06108497
+-858.38273296 -1273.31334681 858.80488139
+-0.11920686 -193.21058311 0.12012605
+-861.66400079 -1276.19187255 -861.74280811
+-3.04506703 5404.58493432 2.81779319
+861.62536952 -861.66025637 -1276.08157175
+-0.06099938 0.02106080 -193.17561235
+-861.66025645 861.62536929 -1276.08157213
+0.02106049 -0.06099862 -193.17561189
+858.96245049 858.96245041 -1273.17866553
+-0.12013444 -0.12013475 83.09915550
+-861.58531232 -861.58531217 -1275.71087655
+2.81780737 2.81780753 5404.30474547
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/results/out.silicon b/examples/USER/phonon/dynamical_matrix_command/Silicon/results/out.silicon
new file mode 100755
index 0000000000000000000000000000000000000000..9920ddac511383be78254c58bbb7c6661ab3d473
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/results/out.silicon
@@ -0,0 +1,58 @@
+LAMMPS (16 Jul 2018)
+Reading data file ...
+  orthogonal box = (0 0 0) to (5.431 5.431 5.431)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  8 atoms
+Finding 1-2 1-3 1-4 neighbors ...
+  special bond factors lj:   0          0          0         
+  special bond factors coul: 0          0          0         
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4
+  ghost atom cutoff = 4
+  binsize = 2, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff, perpetual
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/3d
+      bin: standard
+Calculating Dynamical Matrix...
+Dynamical Matrix calculation took 0.001183 seconds
+Finished Calculating Dynamical Matrix
+Loop time of 1.22396e+06 on 4 procs for 0 steps with 8 atoms
+
+0.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00016781 | 0.00041345 | 0.00051464 |   0.0 |  0.00
+Bond    | 1.9255e-06 | 2.1775e-06 | 2.4787e-06 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00056143 | 0.00066602 | 0.00090865 |   0.0 |  0.00
+Output  | 0          | 0          | 0          |   0.0 |  0.00
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 1.224e+06  |            |       |100.00
+
+Nlocal:    2 ave 3 max 1 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    56 ave 57 max 55 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  32 ave 48 max 16 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+
+Total # of neighbors = 128
+Ave neighs/atom = 16
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/phonon/dynamical_matrix_command/Silicon/silicon_input_file.lmp b/examples/USER/phonon/dynamical_matrix_command/Silicon/silicon_input_file.lmp
new file mode 100755
index 0000000000000000000000000000000000000000..50660498955e5c259900b6308ac232183b886172
--- /dev/null
+++ b/examples/USER/phonon/dynamical_matrix_command/Silicon/silicon_input_file.lmp
@@ -0,0 +1,29 @@
+LAMMPS description
+
+       8      atoms    
+       0      bonds    
+       0      angles   
+       0      dihedrals
+       0      impropers
+
+       1      atom types    
+       0      bond types    
+       0      angle types   
+       0      dihedral types
+       0      improper types
+
+
+  0.0000000      5.4310000     xlo xhi
+  0.0000000      5.4310000     ylo yhi
+  0.0000000      5.4310000     zlo zhi
+
+ Atoms
+
+      1      1      1      0.0000000      0.0000000      0.0000000      0.0000000
+      2      2      1      0.0000000      1.3577500      1.3577500      1.3572000
+      3      3      1      0.0000000      2.7155000      2.7155000      0.0000000
+      4      4      1      0.0000000      4.0732500      4.0732500      1.3572000
+      5      5      1      0.0000000      2.7155000      0.0000000      2.7144000
+      6      6      1      0.0000000      4.0732500      1.3577500      4.0732500
+      7      7      1      0.0000000      0.0000000      2.7155000      2.7155000
+      8      8      1      0.0000000      1.3577500      4.0732500      4.0732500
diff --git a/examples/USER/qtb/methane_qbmsst/methane_qtb.mod b/examples/USER/qtb/methane_qbmsst/methane_qtb.mod
index 9ed62b74b558421f10827830f65e2f315dc85db1..181fb99d005e667411591e51b7a99426e2d671dc 100644
--- a/examples/USER/qtb/methane_qbmsst/methane_qtb.mod
+++ b/examples/USER/qtb/methane_qbmsst/methane_qtb.mod
@@ -38,8 +38,9 @@ mass			2  1.007970
 
 ## This part defines the reax pair potential in methane, force field coefficients are specified in "ffield.reax"
 #Pair Potentials
-pair_style		reax 10.0 1 1 1.0e-6
-pair_coeff		* * ffield.reax 1 2
+pair_style		reax/c NULL
+pair_coeff		* * ffield.reax C H
+fix                     0 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c
 
 #Neighbor Style
 neighbor		2.5 bin
diff --git a/examples/USER/qtb/methane_qtb/methane_qtb.in b/examples/USER/qtb/methane_qtb/methane_qtb.in
index 7389b65f19fb987999d7797c7a746343bf84823d..f0ea94a22183d3d5bcc28c435037f8cc478e6475 100644
--- a/examples/USER/qtb/methane_qtb/methane_qtb.in
+++ b/examples/USER/qtb/methane_qtb/methane_qtb.in
@@ -44,8 +44,9 @@ mass			2  1.007970
 
 ## This part defines the reax pair potential in methane, force field coefficients are specified in "ffield.reax"
 #Pair Potentials
-pair_style		reax 10.0 1 1 1.0e-6
-pair_coeff		* * ffield.reax 1 2
+pair_style		reax/c NULL
+pair_coeff		* * ffield.reax C H
+fix                     0 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c
 
 #Neighbor Style
 neighbor		2.5 bin
diff --git a/examples/USER/smtbq/data.Alpha b/examples/USER/smtbq/data.Alpha
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/ffield.smtbq.Al b/examples/USER/smtbq/ffield.smtbq.Al
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/ffield.smtbq.Al2O3 b/examples/USER/smtbq/ffield.smtbq.Al2O3
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/ffield.smtbq.TiO2 b/examples/USER/smtbq/ffield.smtbq.TiO2
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/in.smtbq.Al b/examples/USER/smtbq/in.smtbq.Al
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/in.smtbq.Al2O3 b/examples/USER/smtbq/in.smtbq.Al2O3
old mode 100755
new mode 100644
diff --git a/examples/USER/smtbq/in.smtbq.TiO2 b/examples/USER/smtbq/in.smtbq.TiO2
old mode 100755
new mode 100644
diff --git a/examples/airebo/CH.rebo b/examples/airebo/CH.rebo
new file mode 120000
index 0000000000000000000000000000000000000000..9272e57972fd740aa01defc0567c7acc8a5eefac
--- /dev/null
+++ b/examples/airebo/CH.rebo
@@ -0,0 +1 @@
+../../potentials/CH.rebo
\ No newline at end of file
diff --git a/examples/airebo/in.airebo-0-0 b/examples/airebo/in.airebo-0-0
new file mode 100644
index 0000000000000000000000000000000000000000..077da68912090e3cd62eef6dc84a55e0bd12f5a6
--- /dev/null
+++ b/examples/airebo/in.airebo-0-0
@@ -0,0 +1,22 @@
+# AIREBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+
+replicate	    17 16 2
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    airebo 3.0 0 0
+pair_coeff	    * * CH.airebo C H
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
diff --git a/examples/airebo/in.rebo2 b/examples/airebo/in.rebo2
new file mode 100644
index 0000000000000000000000000000000000000000..e06cf462caf6c937d47ab03833cd01bbb34cc1dc
--- /dev/null
+++ b/examples/airebo/in.rebo2
@@ -0,0 +1,22 @@
+# REBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+
+replicate	    17 16 2
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    rebo
+pair_coeff	    * * CH.rebo C H
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
diff --git a/examples/airebo/log.30Apr2019.airebo-0-0.g++.1 b/examples/airebo/log.30Apr2019.airebo-0-0.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..47f5f04a83300c935e40d1acbd9c5110c48e1dc5
--- /dev/null
+++ b/examples/airebo/log.30Apr2019.airebo-0-0.g++.1
@@ -0,0 +1,89 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# AIREBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  60 atoms
+  read_data CPU = 0.000232458 secs
+
+replicate	    17 16 2
+  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
+  1 by 1 by 1 MPI processor grid
+  32640 atoms
+  replicate CPU = 0.00206327 secs
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    airebo 3.0 0 0
+pair_coeff	    * * CH.airebo C H
+Reading potential file CH.airebo with DATE: 2011-10-25
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.5
+  ghost atom cutoff = 6.5
+  binsize = 3.25, bins = 22 21 16
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair airebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 34.21 | 34.21 | 34.21 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          300   -138442.83            0   -137177.16    2463.0755 
+      10    179.38448   -137931.29            0   -137174.48     15656.69 
+      20    206.89283   -138047.06            0   -137174.19   -24047.407 
+      30    150.81289   -137807.48            0   -137171.21   -16524.191 
+      40    173.24289   -137902.32            0   -137171.42   -5721.7187 
+      50    151.80722   -137812.37            0   -137171.91    3489.8954 
+      60    199.06038    -138013.7            0   -137173.88    17887.025 
+      70    217.84848   -138093.82            0   -137174.73    -12266.16 
+      80    202.34667   -138029.28            0   -137175.59   -7623.6634 
+      90    194.92367   -137997.12            0   -137174.75   -32277.173 
+     100     185.2078   -137954.64            0   -137173.26   -6888.5104 
+Loop time of 9.70367 on 1 procs for 100 steps with 32640 atoms
+
+Performance: 0.445 ns/day, 53.909 hours/ns, 10.305 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 7.2508     | 7.2508     | 7.2508     |   0.0 | 74.72
+Neigh   | 2.3573     | 2.3573     | 2.3573     |   0.0 | 24.29
+Comm    | 0.03116    | 0.03116    | 0.03116    |   0.0 |  0.32
+Output  | 0.0014739  | 0.0014739  | 0.0014739  |   0.0 |  0.02
+Modify  | 0.0447     | 0.0447     | 0.0447     |   0.0 |  0.46
+Other   |            | 0.01819    |            |       |  0.19
+
+Nlocal:    32640 ave 32640 max 32640 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    26460 ave 26460 max 26460 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  4.90213e+06 ave 4.90213e+06 max 4.90213e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 4902134
+Ave neighs/atom = 150.188
+Neighbor list builds = 9
+Dangerous builds = 0
+Total wall time: 0:00:10
diff --git a/examples/airebo/log.30Apr2019.airebo-0-0.g++.4 b/examples/airebo/log.30Apr2019.airebo-0-0.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..a777e1788597b6b2278a8d5b415061a30be90b1a
--- /dev/null
+++ b/examples/airebo/log.30Apr2019.airebo-0-0.g++.4
@@ -0,0 +1,89 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# AIREBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
+  1 by 1 by 4 MPI processor grid
+  reading atoms ...
+  60 atoms
+  read_data CPU = 0.000363827 secs
+
+replicate	    17 16 2
+  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
+  2 by 2 by 1 MPI processor grid
+  32640 atoms
+  replicate CPU = 0.00244427 secs
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    airebo 3.0 0 0
+pair_coeff	    * * CH.airebo C H
+Reading potential file CH.airebo with DATE: 2011-10-25
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.5
+  ghost atom cutoff = 6.5
+  binsize = 3.25, bins = 22 21 16
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair airebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.75 | 11.94 | 12.13 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          300   -138442.83            0   -137177.16    2463.0755 
+      10    179.38448   -137931.29            0   -137174.48     15656.69 
+      20    206.89283   -138047.06            0   -137174.19   -24047.407 
+      30    150.81289   -137807.48            0   -137171.21   -16524.191 
+      40    173.24289   -137902.32            0   -137171.42   -5721.7187 
+      50    151.80722   -137812.37            0   -137171.91    3489.8954 
+      60    199.06038    -138013.7            0   -137173.88    17887.025 
+      70    217.84848   -138093.82            0   -137174.73    -12266.16 
+      80    202.34667   -138029.28            0   -137175.59   -7623.6634 
+      90    194.92367   -137997.12            0   -137174.75   -32277.173 
+     100     185.2078   -137954.64            0   -137173.26   -6888.5104 
+Loop time of 6.71962 on 4 procs for 100 steps with 32640 atoms
+
+Performance: 0.643 ns/day, 37.331 hours/ns, 14.882 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.4598     | 4.6375     | 4.7708     |   5.5 | 69.01
+Neigh   | 1.5903     | 1.6452     | 1.7207     |   3.8 | 24.48
+Comm    | 0.16708    | 0.37041    | 0.56709    |  25.1 |  5.51
+Output  | 0.001061   | 0.0059808  | 0.0090635  |   4.3 |  0.09
+Modify  | 0.030086   | 0.03154    | 0.032522   |   0.5 |  0.47
+Other   |            | 0.02897    |            |       |  0.43
+
+Nlocal:    8160 ave 8163 max 8157 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    11605.8 ave 11615 max 11593 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  1.22553e+06 ave 1.22734e+06 max 1.22455e+06 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 4902134
+Ave neighs/atom = 150.188
+Neighbor list builds = 9
+Dangerous builds = 0
+Total wall time: 0:00:07
diff --git a/examples/airebo/log.27Nov18.airebo-m.g++.1 b/examples/airebo/log.30Apr2019.airebo-m.g++.1
similarity index 65%
rename from examples/airebo/log.27Nov18.airebo-m.g++.1
rename to examples/airebo/log.30Apr2019.airebo-m.g++.1
index 44d8b9d59c3090eec0e2f4d89becc844e1d700b4..01157567374e242f2e4f29c88cfd3a34e9985921 100644
--- a/examples/airebo/log.27Nov18.airebo-m.g++.1
+++ b/examples/airebo/log.30Apr2019.airebo-m.g++.1
@@ -1,36 +1,38 @@
-LAMMPS (27 Nov 2018)
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
   orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   60 atoms
+  read_data CPU = 0.000225067 secs
 
-replicate	    17 16 2
+replicate           17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   1 by 1 by 1 MPI processor grid
   32640 atoms
-  Time spent = 0.00141144 secs
+  replicate CPU = 0.00226521 secs
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo/morse 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo-m C H
-Reading potential file ../../potentials/CH.airebo-m with DATE: 2016-03-15
+pair_style          airebo/morse 3.0 1 1
+pair_coeff          * * CH.airebo-m C H
+Reading potential file CH.airebo-m with DATE: 2016-03-15
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
 Neighbor list info ...
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -45,7 +47,7 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 106.4 | 106.4 | 106.4 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          300   -139283.82            0   -138018.14    152.25271 
+       0          300   -139283.82            0   -138018.14    152.25266 
       10    166.76148   -138718.75            0   -138015.19    17412.343 
       20     207.7293   -138891.79            0    -138015.4   -19395.339 
       30    138.54469   -138596.42            0   -138011.92   -11909.248 
@@ -55,21 +57,21 @@ Step Temp E_pair E_mol TotEng Press
       70    185.72779   -138799.18            0   -138015.61   -10803.744 
       80    164.28396    -138709.5            0    -138016.4   -1524.7353 
       90    180.26403   -138776.42            0    -138015.9   -27143.467 
-     100    164.05694   -138706.58            0   -138014.44    5157.5516 
-Loop time of 64.6107 on 1 procs for 100 steps with 32640 atoms
+     100    164.05694   -138706.58            0   -138014.44    5157.5517 
+Loop time of 111.537 on 1 procs for 100 steps with 32640 atoms
 
-Performance: 0.067 ns/day, 358.948 hours/ns, 1.548 timesteps/s
+Performance: 0.039 ns/day, 619.650 hours/ns, 0.897 timesteps/s
 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 59.916     | 59.916     | 59.916     |   0.0 | 92.73
-Neigh   | 4.6347     | 4.6347     | 4.6347     |   0.0 |  7.17
-Comm    | 0.025572   | 0.025572   | 0.025572   |   0.0 |  0.04
-Output  | 0.00098896 | 0.00098896 | 0.00098896 |   0.0 |  0.00
-Modify  | 0.022327   | 0.022327   | 0.022327   |   0.0 |  0.03
-Other   |            | 0.01076    |            |       |  0.02
+Pair    | 103.58     | 103.58     | 103.58     |   0.0 | 92.87
+Neigh   | 7.8371     | 7.8371     | 7.8371     |   0.0 |  7.03
+Comm    | 0.046259   | 0.046259   | 0.046259   |   0.0 |  0.04
+Output  | 0.001497   | 0.001497   | 0.001497   |   0.0 |  0.00
+Modify  | 0.047151   | 0.047151   | 0.047151   |   0.0 |  0.04
+Other   |            | 0.02204    |            |       |  0.02
 
 Nlocal:    32640 ave 32640 max 32640 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -84,4 +86,4 @@ Total # of neighbors = 22210922
 Ave neighs/atom = 680.482
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:01:05
+Total wall time: 0:01:53
diff --git a/examples/airebo/log.27Nov18.airebo-m.g++.4 b/examples/airebo/log.30Apr2019.airebo-m.g++.4
similarity index 64%
rename from examples/airebo/log.27Nov18.airebo-m.g++.4
rename to examples/airebo/log.30Apr2019.airebo-m.g++.4
index a4cc55211b28bb5aefdf87393abc2fa890f3ec89..4139c58387eb843235b8098943914f50b77daf52 100644
--- a/examples/airebo/log.27Nov18.airebo-m.g++.4
+++ b/examples/airebo/log.30Apr2019.airebo-m.g++.4
@@ -1,36 +1,38 @@
-LAMMPS (27 Nov 2018)
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
   orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
   1 by 1 by 4 MPI processor grid
   reading atoms ...
   60 atoms
+  read_data CPU = 0.000880957 secs
 
-replicate	    17 16 2
+replicate           17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   2 by 2 by 1 MPI processor grid
   32640 atoms
-  Time spent = 0.000637531 secs
+  replicate CPU = 0.00271702 secs
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo/morse 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo-m C H
-Reading potential file ../../potentials/CH.airebo-m with DATE: 2016-03-15
+pair_style          airebo/morse 3.0 1 1
+pair_coeff          * * CH.airebo-m C H
+Reading potential file CH.airebo-m with DATE: 2016-03-15
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
 Neighbor list info ...
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -45,7 +47,7 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 29.37 | 29.75 | 30.13 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          300   -139283.82            0   -138018.14    152.25271 
+       0          300   -139283.82            0   -138018.14    152.25266 
       10    166.76148   -138718.75            0   -138015.19    17412.343 
       20     207.7293   -138891.79            0    -138015.4   -19395.339 
       30    138.54469   -138596.42            0   -138011.92   -11909.248 
@@ -55,21 +57,21 @@ Step Temp E_pair E_mol TotEng Press
       70    185.72779   -138799.18            0   -138015.61   -10803.744 
       80    164.28396    -138709.5            0    -138016.4   -1524.7353 
       90    180.26403   -138776.42            0    -138015.9   -27143.467 
-     100    164.05694   -138706.58            0   -138014.44    5157.5516 
-Loop time of 18.1922 on 4 procs for 100 steps with 32640 atoms
+     100    164.05694   -138706.58            0   -138014.44    5157.5517 
+Loop time of 68.9923 on 4 procs for 100 steps with 32640 atoms
 
-Performance: 0.237 ns/day, 101.068 hours/ns, 5.497 timesteps/s
-98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.063 ns/day, 383.290 hours/ns, 1.449 timesteps/s
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 15.968     | 16.084     | 16.308     |   3.4 | 88.41
-Neigh   | 1.6017     | 1.6334     | 1.7006     |   3.1 |  8.98
-Comm    | 0.1603     | 0.45122    | 0.59951    |  26.0 |  2.48
-Output  | 0.00042605 | 0.00073195 | 0.0016003  |   0.0 |  0.00
-Modify  | 0.0092106  | 0.010544   | 0.014411   |   2.2 |  0.06
-Other   |            | 0.01193    |            |       |  0.07
+Pair    | 60.09      | 60.276     | 60.515     |   2.1 | 87.37
+Neigh   | 6.7521     | 6.8996     | 7.0678     |   4.3 | 10.00
+Comm    | 1.5441     | 1.7514     | 2.0838     |  16.9 |  2.54
+Output  | 0.0010803  | 0.001972   | 0.0043106  |   3.0 |  0.00
+Modify  | 0.031365   | 0.032539   | 0.034404   |   0.7 |  0.05
+Other   |            | 0.03104    |            |       |  0.04
 
 Nlocal:    8160 ave 8167 max 8153 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -84,4 +86,4 @@ Total # of neighbors = 22210922
 Ave neighs/atom = 680.482
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:18
+Total wall time: 0:01:10
diff --git a/examples/airebo/log.27Nov18.airebo.g++.1 b/examples/airebo/log.30Apr2019.airebo.g++.1
similarity index 63%
rename from examples/airebo/log.27Nov18.airebo.g++.1
rename to examples/airebo/log.30Apr2019.airebo.g++.1
index 3713c8a8f8c163adcdcca5d434906329e4efd430..61792e9a7aa97778aaf27ee59befb4a06ec95cc7 100644
--- a/examples/airebo/log.27Nov18.airebo.g++.1
+++ b/examples/airebo/log.30Apr2019.airebo.g++.1
@@ -1,36 +1,38 @@
-LAMMPS (27 Nov 2018)
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
   orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   60 atoms
+  read_data CPU = 0.000217438 secs
 
-replicate	    17 16 2
+replicate           17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   1 by 1 by 1 MPI processor grid
   32640 atoms
-  Time spent = 0.00144172 secs
+  replicate CPU = 0.00204968 secs
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo C H
-Reading potential file ../../potentials/CH.airebo with DATE: 2011-10-25
+pair_style          airebo 3.0 1 1
+pair_coeff          * * CH.airebo C H
+Reading potential file CH.airebo with DATE: 2011-10-25
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
 Neighbor list info ...
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -45,31 +47,31 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 106.4 | 106.4 | 106.4 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          300   -139300.72            0   -138035.04    7988.6647 
+       0          300   -139300.72            0   -138035.04    7988.6646 
       10    161.34683    -138712.9            0   -138032.19    33228.921 
       20    208.59504   -138912.79            0   -138032.74   -3211.8806 
       30     139.7513   -138618.85            0   -138029.25    10878.143 
       40    142.14562   -138629.02            0   -138029.32    14601.302 
-      50    114.23401   -138510.95            0      -138029    24691.125 
+      50    114.23401   -138510.95            0      -138029    24691.124 
       60    164.92002      -138726            0   -138030.21    35125.541 
       70    162.15256    -138715.9            0   -138031.79    5658.7946 
       80    157.16184   -138695.77            0   -138032.72    19824.698 
-      90    196.15907   -138860.65            0   -138033.07   -7950.8462 
+      90    196.15907   -138860.65            0   -138033.07   -7950.8463 
      100    178.31875   -138784.89            0   -138032.57    30997.671 
-Loop time of 57.9914 on 1 procs for 100 steps with 32640 atoms
+Loop time of 98.1502 on 1 procs for 100 steps with 32640 atoms
 
-Performance: 0.074 ns/day, 322.174 hours/ns, 1.724 timesteps/s
-99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.044 ns/day, 545.279 hours/ns, 1.019 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 53.275     | 53.275     | 53.275     |   0.0 | 91.87
-Neigh   | 4.6548     | 4.6548     | 4.6548     |   0.0 |  8.03
-Comm    | 0.026622   | 0.026622   | 0.026622   |   0.0 |  0.05
-Output  | 0.00097251 | 0.00097251 | 0.00097251 |   0.0 |  0.00
-Modify  | 0.022773   | 0.022773   | 0.022773   |   0.0 |  0.04
-Other   |            | 0.01089    |            |       |  0.02
+Pair    | 90.237     | 90.237     | 90.237     |   0.0 | 91.94
+Neigh   | 7.796      | 7.796      | 7.796      |   0.0 |  7.94
+Comm    | 0.048884   | 0.048884   | 0.048884   |   0.0 |  0.05
+Output  | 0.0016053  | 0.0016053  | 0.0016053  |   0.0 |  0.00
+Modify  | 0.045511   | 0.045511   | 0.045511   |   0.0 |  0.05
+Other   |            | 0.0217     |            |       |  0.02
 
 Nlocal:    32640 ave 32640 max 32640 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -84,4 +86,4 @@ Total # of neighbors = 22217840
 Ave neighs/atom = 680.694
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:59
+Total wall time: 0:01:39
diff --git a/examples/airebo/log.27Nov18.airebo.g++.4 b/examples/airebo/log.30Apr2019.airebo.g++.4
similarity index 63%
rename from examples/airebo/log.27Nov18.airebo.g++.4
rename to examples/airebo/log.30Apr2019.airebo.g++.4
index 335690684a27220439f5184c327ae7fd73780556..9857d9c741e5c54ff8833aabbaadcbb7020fce63 100644
--- a/examples/airebo/log.27Nov18.airebo.g++.4
+++ b/examples/airebo/log.30Apr2019.airebo.g++.4
@@ -1,36 +1,38 @@
-LAMMPS (27 Nov 2018)
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
   orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
   1 by 1 by 4 MPI processor grid
   reading atoms ...
   60 atoms
+  read_data CPU = 0.000266314 secs
 
-replicate	    17 16 2
+replicate           17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   2 by 2 by 1 MPI processor grid
   32640 atoms
-  Time spent = 0.00262594 secs
+  replicate CPU = 0.00146151 secs
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo C H
-Reading potential file ../../potentials/CH.airebo with DATE: 2011-10-25
+pair_style          airebo 3.0 1 1
+pair_coeff          * * CH.airebo C H
+Reading potential file CH.airebo with DATE: 2011-10-25
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
 Neighbor list info ...
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -45,31 +47,31 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 29.37 | 29.75 | 30.13 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          300   -139300.72            0   -138035.04    7988.6647 
+       0          300   -139300.72            0   -138035.04    7988.6646 
       10    161.34683    -138712.9            0   -138032.19    33228.921 
       20    208.59504   -138912.79            0   -138032.74   -3211.8806 
       30     139.7513   -138618.85            0   -138029.25    10878.143 
       40    142.14562   -138629.02            0   -138029.32    14601.302 
-      50    114.23401   -138510.95            0      -138029    24691.125 
+      50    114.23401   -138510.95            0      -138029    24691.124 
       60    164.92002      -138726            0   -138030.21    35125.541 
       70    162.15256    -138715.9            0   -138031.79    5658.7946 
       80    157.16184   -138695.77            0   -138032.72    19824.698 
-      90    196.15907   -138860.65            0   -138033.07   -7950.8462 
+      90    196.15907   -138860.65            0   -138033.07   -7950.8463 
      100    178.31875   -138784.89            0   -138032.57    30997.671 
-Loop time of 16.4395 on 4 procs for 100 steps with 32640 atoms
+Loop time of 60.4943 on 4 procs for 100 steps with 32640 atoms
 
-Performance: 0.263 ns/day, 91.331 hours/ns, 6.083 timesteps/s
-98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.071 ns/day, 336.080 hours/ns, 1.653 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 14.263     | 14.349     | 14.483     |   2.3 | 87.28
-Neigh   | 1.6071     | 1.6283     | 1.6636     |   1.7 |  9.90
-Comm    | 0.26261    | 0.43435    | 0.52323    |  16.1 |  2.64
-Output  | 0.00042105 | 0.0007121  | 0.001538   |   0.0 |  0.00
-Modify  | 0.00898    | 0.009112   | 0.0093675  |   0.2 |  0.06
-Other   |            | 0.0184     |            |       |  0.11
+Pair    | 51.737     | 52.46      | 52.86      |   6.2 | 86.72
+Neigh   | 6.5823     | 6.6605     | 6.726      |   2.0 | 11.01
+Comm    | 0.92426    | 1.3125     | 2.0111     |  37.0 |  2.17
+Output  | 0.0010669  | 0.0019811  | 0.0043974  |   3.1 |  0.00
+Modify  | 0.030364   | 0.031523   | 0.032495   |   0.5 |  0.05
+Other   |            | 0.028      |            |       |  0.05
 
 Nlocal:    8160 ave 8174 max 8146 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -84,4 +86,4 @@ Total # of neighbors = 22217840
 Ave neighs/atom = 680.694
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:16
+Total wall time: 0:01:01
diff --git a/examples/airebo/log.30Apr2019.rebo2.g++.1 b/examples/airebo/log.30Apr2019.rebo2.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..7cd3d65294c7198894a8ffdff4972f7f420653dc
--- /dev/null
+++ b/examples/airebo/log.30Apr2019.rebo2.g++.1
@@ -0,0 +1,89 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# REBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  60 atoms
+  read_data CPU = 0.000190735 secs
+
+replicate	    17 16 2
+  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
+  1 by 1 by 1 MPI processor grid
+  32640 atoms
+  replicate CPU = 0.00197148 secs
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    rebo
+pair_coeff	    * * CH.rebo C H
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.5
+  ghost atom cutoff = 6.5
+  binsize = 3.25, bins = 22 21 16
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 34.21 | 34.21 | 34.21 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          300   -138442.83            0   -137177.16    2463.0748 
+      10    179.37985   -137931.27            0   -137174.48    15655.936 
+      20    206.87654   -138046.99            0   -137174.19   -24042.627 
+      30    150.80122   -137807.43            0   -137171.21   -16524.118 
+      40    173.24945   -137902.35            0   -137171.42   -5716.9119 
+      50    151.80455   -137812.36            0   -137171.91    3480.4584 
+      60    199.08777   -138013.82            0   -137173.88    17881.372 
+      70    217.85748   -138093.86            0   -137174.73   -12270.999 
+      80    202.37482   -138029.39            0   -137175.59   -7622.7319 
+      90    194.90628   -137997.05            0   -137174.75   -32267.471 
+     100    185.17818   -137954.51            0   -137173.26   -6901.7499 
+Loop time of 9.44819 on 1 procs for 100 steps with 32640 atoms
+
+Performance: 0.457 ns/day, 52.490 hours/ns, 10.584 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 7.037      | 7.037      | 7.037      |   0.0 | 74.48
+Neigh   | 2.3182     | 2.3182     | 2.3182     |   0.0 | 24.54
+Comm    | 0.029898   | 0.029898   | 0.029898   |   0.0 |  0.32
+Output  | 0.0014331  | 0.0014331  | 0.0014331  |   0.0 |  0.02
+Modify  | 0.043851   | 0.043851   | 0.043851   |   0.0 |  0.46
+Other   |            | 0.01774    |            |       |  0.19
+
+Nlocal:    32640 ave 32640 max 32640 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    26460 ave 26460 max 26460 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  4.90213e+06 ave 4.90213e+06 max 4.90213e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 4902134
+Ave neighs/atom = 150.188
+Neighbor list builds = 9
+Dangerous builds = 0
+Total wall time: 0:00:09
diff --git a/examples/airebo/log.30Apr2019.rebo2.g++.4 b/examples/airebo/log.30Apr2019.rebo2.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..14086fbf400fc0f030cbbac88e52d51831814474
--- /dev/null
+++ b/examples/airebo/log.30Apr2019.rebo2.g++.4
@@ -0,0 +1,89 @@
+LAMMPS (30 Apr 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# REBO polyethelene benchmark
+
+units		    metal
+atom_style	    atomic
+
+read_data	    data.airebo
+  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
+  1 by 1 by 4 MPI processor grid
+  reading atoms ...
+  60 atoms
+  read_data CPU = 0.000682831 secs
+
+replicate	    17 16 2
+  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
+  2 by 2 by 1 MPI processor grid
+  32640 atoms
+  replicate CPU = 0.00221777 secs
+
+neighbor	    0.5 bin
+neigh_modify	    delay 5 every 1
+
+pair_style	    rebo
+pair_coeff	    * * CH.rebo C H
+Reading potential file CH.rebo with DATE: 2018-7-3
+
+velocity	    all create 300.0 761341
+
+fix		    1 all nve
+timestep	    0.0005
+
+thermo		    10
+run		    100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.5
+  ghost atom cutoff = 6.5
+  binsize = 3.25, bins = 22 21 16
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair rebo, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.75 | 11.94 | 12.13 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          300   -138442.83            0   -137177.16    2463.0748 
+      10    179.37985   -137931.27            0   -137174.48    15655.936 
+      20    206.87654   -138046.99            0   -137174.19   -24042.627 
+      30    150.80122   -137807.43            0   -137171.21   -16524.118 
+      40    173.24945   -137902.35            0   -137171.42   -5716.9119 
+      50    151.80455   -137812.36            0   -137171.91    3480.4584 
+      60    199.08777   -138013.82            0   -137173.88    17881.372 
+      70    217.85748   -138093.86            0   -137174.73   -12270.999 
+      80    202.37482   -138029.39            0   -137175.59   -7622.7319 
+      90    194.90628   -137997.05            0   -137174.75   -32267.471 
+     100    185.17818   -137954.51            0   -137173.26   -6901.7499 
+Loop time of 6.35645 on 4 procs for 100 steps with 32640 atoms
+
+Performance: 0.680 ns/day, 35.314 hours/ns, 15.732 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.4335     | 4.5041     | 4.56       |   2.1 | 70.86
+Neigh   | 1.5332     | 1.5919     | 1.6466     |   3.6 | 25.04
+Comm    | 0.098299   | 0.20854    | 0.26277    |  14.2 |  3.28
+Output  | 0.0011072  | 0.0018047  | 0.0037503  |   2.6 |  0.03
+Modify  | 0.028811   | 0.030358   | 0.031516   |   0.6 |  0.48
+Other   |            | 0.01977    |            |       |  0.31
+
+Nlocal:    8160 ave 8163 max 8157 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    11605.8 ave 11615 max 11593 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  1.22553e+06 ave 1.22735e+06 max 1.22455e+06 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 4902134
+Ave neighs/atom = 150.188
+Neighbor list builds = 9
+Dangerous builds = 0
+Total wall time: 0:00:06
diff --git a/examples/granular/in.pour.drum b/examples/granular/in.pour.drum
new file mode 100644
index 0000000000000000000000000000000000000000..c30f30b37783a3d243dc58ac14f49b971bc0c2c2
--- /dev/null
+++ b/examples/granular/in.pour.drum
@@ -0,0 +1,98 @@
+# pour two types of particles (cohesive and non-cohesive) into cylinder
+# 'turn' cylinder by changing direction of gravity, then rotate it.
+# This simulates a rotating drum powder characterization experiment.
+
+variable	name string rotating_drum_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 30
+variable	boxy equal 30
+variable	boxz equal 50
+
+variable	drum_rad equal ${boxx}*0.5
+variable	drum_height equal 20
+
+variable	xc equal 0.5*${boxx}
+variable	yc equal 0.5*${boxx}
+variable	zc equal 0.5*${boxz}
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dhi equal 2.0*${rhi}
+
+variable	cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
+
+variable	dens equal 1.0
+
+variable skin equal 0.4*${rhi}
+
+#############
+processors * * 1
+region		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+create_box	2 boxreg
+change_box	all boundary p p f
+comm_modify	vel yes
+
+variable	theta equal 0
+
+region		curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+
+region		insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
+
+fix		0 all balance 100 1.0 shift xy 5 1.1
+fix		1 all nve/sphere
+fix		grav all gravity 10 vector 0 0 -1
+fix		ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular 
+pair_coeff	1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji
+pair_coeff	2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji
+
+fix		3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall 
+fix		4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
+
+thermo_style	custom step atoms ke v_theta
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+#dump		1 all custom 100 ${name}.dump id type radius mass x y z 
+
+#For removal later
+compute		1 all property/atom radius
+variable	zmax atom z+c_1>0.5*${drum_height}
+group		delgroup dynamic all var zmax every 10000
+
+run		2000
+
+#Remove any particles that are above z > 0.5*drum_height
+delete_atoms	group delgroup
+
+#Add top lid
+region		top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+fix		5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
+
+# 'Turn' drum by switching the direction of gravity
+unfix		grav
+fix		grav all gravity 10 vector 0 -1 0
+
+variable	theta equal 2*PI*elapsed/20000.0
+run		3000
diff --git a/examples/granular/in.pour.flatwall b/examples/granular/in.pour.flatwall
new file mode 100644
index 0000000000000000000000000000000000000000..cfa70e2d84f58d4704af6999ed7804e58bf11065
--- /dev/null
+++ b/examples/granular/in.pour.flatwall
@@ -0,0 +1,67 @@
+# pour two types of particles (cohesive and non-cohesive) on flat wall
+
+variable   	name string pour_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 20
+variable	boxy equal 20
+variable	boxz equal 30
+
+variable	xc1 equal 0.3*${boxx}
+variable	xc2 equal 0.7*${boxx}
+variable	yc equal 0.5*${boxy}
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dhi equal 2.0*${rhi}
+
+variable	dens equal 1.0
+
+variable skin equal 0.3*${rhi}
+
+#############
+processors	* * 1
+region 		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+create_box	2 boxreg
+change_box	all boundary p p f
+
+comm_modify 	vel yes
+
+region		insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
+region		insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
+
+fix		1 all nve/sphere
+fix		grav all gravity 10.0 vector 0 0 -1
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular 
+pair_coeff 	1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
+pair_coeff 	2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall 
+
+fix		3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL 
+
+thermo_style	custom step cpu atoms ke
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+#dump		1 all custom 100 ${name}.dump id type radius mass x y z 
+
+run		5000
diff --git a/examples/granular/log.29Mar19.pour.drum.g++.1 b/examples/granular/log.29Mar19.pour.drum.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..71232ed8dd8ea156aaead0efb286beb8c0a46de9
--- /dev/null
+++ b/examples/granular/log.29Mar19.pour.drum.g++.1
@@ -0,0 +1,271 @@
+LAMMPS (29 Mar 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# pour two types of particles (cohesive and non-cohesive) into cylinder
+# 'turn' cylinder by changing direction of gravity, then rotate it.
+# This simulates a rotating drum powder characterization experiment.
+
+variable	name string rotating_drum_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 30
+variable	boxy equal 30
+variable	boxz equal 50
+
+variable	drum_rad equal ${boxx}*0.5
+variable	drum_rad equal 30*0.5
+variable	drum_height equal 20
+
+variable	xc equal 0.5*${boxx}
+variable	xc equal 0.5*30
+variable	yc equal 0.5*${boxx}
+variable	yc equal 0.5*30
+variable	zc equal 0.5*${boxz}
+variable	zc equal 0.5*50
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable	cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
+variable	cyl_rad_inner equal 15-1.1*${rhi}
+variable	cyl_rad_inner equal 15-1.1*0.5
+
+variable	dens equal 1.0
+
+variable skin equal 0.4*${rhi}
+variable skin equal 0.4*0.5
+
+#############
+processors * * 1
+region		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+region		boxreg block 0 30 0 ${boxy} 0 ${boxz}
+region		boxreg block 0 30 0 30 0 ${boxz}
+region		boxreg block 0 30 0 30 0 50
+create_box	2 boxreg
+Created orthogonal box = (0 0 0) to (30 30 50)
+  1 by 1 by 1 MPI processor grid
+change_box	all boundary p p f
+comm_modify	vel yes
+
+variable	theta equal 0
+
+region		curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1
+region		bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1
+
+region		insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 14.45 ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 14.45 20 ${boxz}
+region		insreg cylinder z 15 15 14.45 20 50
+
+fix		0 all balance 100 1.0 shift xy 5 1.1
+fix		1 all nve/sphere
+fix		grav all gravity 10 vector 0 0 -1
+fix		ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
+Particle insertion: 9396 every 490 steps, 2000 by step 1
+fix		ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
+Particle insertion: 9396 every 490 steps, 2000 by step 1
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neighbor	0.2 bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular
+pair_coeff	1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji
+pair_coeff	2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji
+
+fix		3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
+fix		4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
+
+thermo_style	custom step atoms ke v_theta
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+dump		1 all custom 100 ${name}.dump id type radius mass x y z
+dump		1 all custom 100 rotating_drum_two_types.dump id type radius mass x y z
+
+#For removal later
+compute		1 all property/atom radius
+variable	zmax atom z+c_1>0.5*${drum_height}
+variable	zmax atom z+c_1>0.5*20
+group		delgroup dynamic all var zmax every 10000
+dynamic group delgroup defined
+
+run		2000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.2
+  ghost atom cutoff = 1.2
+  binsize = 0.6, bins = 50 50 84
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair granular, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 13.02 | 13.02 | 13.02 Mbytes
+Step Atoms KinEng v_theta 
+       0        0           -0            0 
+     100     4000           -0            0 
+     200     4000           -0            0 
+     300     4000           -0            0 
+     400     4000           -0            0 
+     500     4000           -0            0 
+     600     4000           -0            0 
+     700     4000           -0            0 
+     800     4000           -0            0 
+     900     4000           -0            0 
+    1000     4000           -0            0 
+    1100     4000           -0            0 
+    1200     4000           -0            0 
+    1300     4000           -0            0 
+    1400     4000           -0            0 
+    1500     4000           -0            0 
+    1600     4000           -0            0 
+    1700     4000           -0            0 
+    1800     4000           -0            0 
+    1900     4000           -0            0 
+    2000     4000           -0            0 
+Loop time of 3.54461 on 1 procs for 2000 steps with 4000 atoms
+
+Performance: 48750.057 tau/day, 564.237 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.61949    | 0.61949    | 0.61949    |   0.0 | 17.48
+Neigh   | 1.2492     | 1.2492     | 1.2492     |   0.0 | 35.24
+Comm    | 0.046404   | 0.046404   | 0.046404   |   0.0 |  1.31
+Output  | 0.15901    | 0.15901    | 0.15901    |   0.0 |  4.49
+Modify  | 1.4165     | 1.4165     | 1.4165     |   0.0 | 39.96
+Other   |            | 0.05391    |            |       |  1.52
+
+Nlocal:    4000 ave 4000 max 4000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    166 ave 166 max 166 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    8195 ave 8195 max 8195 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8195
+Ave neighs/atom = 2.04875
+Neighbor list builds = 1004
+Dangerous builds = 3
+
+#Remove any particles that are above z > 0.5*drum_height
+delete_atoms	group delgroup
+Deleted 0 atoms, new total = 4000
+
+#Add top lid
+region		top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1
+fix		5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
+
+# 'Turn' drum by switching the direction of gravity
+unfix		grav
+fix		grav all gravity 10 vector 0 -1 0
+
+variable	theta equal 2*PI*elapsed/20000.0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 24.81 | 24.81 | 24.81 Mbytes
+Step Atoms KinEng v_theta 
+    2000     4000    64.333531            0 
+    2100     4000    106.69182  0.031415927 
+    2200     4000     121.8461  0.062831853 
+    2300     4000    88.767952   0.09424778 
+    2400     4000    82.850721   0.12566371 
+    2500     4000    91.683284   0.15707963 
+    2600     4000     31.56344   0.18849556 
+    2700     4000    4.5697672   0.21991149 
+    2800     4000    3.9879051   0.25132741 
+    2900     4000    4.4394235   0.28274334 
+    3000     4000    5.1212931   0.31415927 
+    3100     4000    5.8608892   0.34557519 
+    3200     4000     6.600714   0.37699112 
+    3300     4000    7.3497851   0.40840704 
+    3400     4000    8.0490988   0.43982297 
+    3500     4000    8.6712396    0.4712389 
+    3600     4000    9.1328667   0.50265482 
+    3700     4000    9.4683561   0.53407075 
+    3800     4000    9.5878145   0.56548668 
+    3900     4000     9.387745    0.5969026 
+    4000     4000    8.9117631   0.62831853 
+    4100     4000    8.2344368   0.65973446 
+    4200     4000    7.5335088   0.69115038 
+    4300     4000    6.8426179   0.72256631 
+    4400     4000    6.0567247   0.75398224 
+    4500     4000    5.4166132   0.78539816 
+    4600     4000    4.6012409   0.81681409 
+    4700     4000    3.8314982   0.84823002 
+    4800     4000    3.1916415   0.87964594 
+    4900     4000    2.7833964   0.91106187 
+    5000     4000    2.5051362    0.9424778 
+Loop time of 11.9545 on 1 procs for 3000 steps with 4000 atoms
+
+Performance: 21682.142 tau/day, 250.951 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.8291     | 4.8291     | 4.8291     |   0.0 | 40.40
+Neigh   | 2.7489     | 2.7489     | 2.7489     |   0.0 | 22.99
+Comm    | 0.071249   | 0.071249   | 0.071249   |   0.0 |  0.60
+Output  | 0.20547    | 0.20547    | 0.20547    |   0.0 |  1.72
+Modify  | 4.0179     | 4.0179     | 4.0179     |   0.0 | 33.61
+Other   |            | 0.0819     |            |       |  0.69
+
+Nlocal:    4000 ave 4000 max 4000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    322 ave 322 max 322 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    14849 ave 14849 max 14849 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 14849
+Ave neighs/atom = 3.71225
+Neighbor list builds = 1290
+Dangerous builds = 672
+Total wall time: 0:00:15
diff --git a/examples/granular/log.29Mar19.pour.drum.g++.4 b/examples/granular/log.29Mar19.pour.drum.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..ccd4365a38fdb5d6396d88df71b795b206d54800
--- /dev/null
+++ b/examples/granular/log.29Mar19.pour.drum.g++.4
@@ -0,0 +1,271 @@
+LAMMPS (29 Mar 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# pour two types of particles (cohesive and non-cohesive) into cylinder
+# 'turn' cylinder by changing direction of gravity, then rotate it.
+# This simulates a rotating drum powder characterization experiment.
+
+variable	name string rotating_drum_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 30
+variable	boxy equal 30
+variable	boxz equal 50
+
+variable	drum_rad equal ${boxx}*0.5
+variable	drum_rad equal 30*0.5
+variable	drum_height equal 20
+
+variable	xc equal 0.5*${boxx}
+variable	xc equal 0.5*30
+variable	yc equal 0.5*${boxx}
+variable	yc equal 0.5*30
+variable	zc equal 0.5*${boxz}
+variable	zc equal 0.5*50
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable	cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
+variable	cyl_rad_inner equal 15-1.1*${rhi}
+variable	cyl_rad_inner equal 15-1.1*0.5
+
+variable	dens equal 1.0
+
+variable skin equal 0.4*${rhi}
+variable skin equal 0.4*0.5
+
+#############
+processors * * 1
+region		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+region		boxreg block 0 30 0 ${boxy} 0 ${boxz}
+region		boxreg block 0 30 0 30 0 ${boxz}
+region		boxreg block 0 30 0 30 0 50
+create_box	2 boxreg
+Created orthogonal box = (0 0 0) to (30 30 50)
+  2 by 2 by 1 MPI processor grid
+change_box	all boundary p p f
+comm_modify	vel yes
+
+variable	theta equal 0
+
+region		curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1
+region		bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1
+
+region		insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 14.45 ${drum_height} ${boxz}
+region		insreg cylinder z 15 15 14.45 20 ${boxz}
+region		insreg cylinder z 15 15 14.45 20 50
+
+fix		0 all balance 100 1.0 shift xy 5 1.1
+fix		1 all nve/sphere
+fix		grav all gravity 10 vector 0 0 -1
+fix		ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
+fix		ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
+Particle insertion: 9396 every 490 steps, 2000 by step 1
+fix		ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
+fix		ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
+Particle insertion: 9396 every 490 steps, 2000 by step 1
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neighbor	0.2 bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular
+pair_coeff	1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji
+pair_coeff	2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji
+
+fix		3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
+fix		4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
+
+thermo_style	custom step atoms ke v_theta
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+dump		1 all custom 100 ${name}.dump id type radius mass x y z
+dump		1 all custom 100 rotating_drum_two_types.dump id type radius mass x y z
+
+#For removal later
+compute		1 all property/atom radius
+variable	zmax atom z+c_1>0.5*${drum_height}
+variable	zmax atom z+c_1>0.5*20
+group		delgroup dynamic all var zmax every 10000
+dynamic group delgroup defined
+
+run		2000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.2
+  ghost atom cutoff = 1.2
+  binsize = 0.6, bins = 50 50 84
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair granular, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 12.25 | 12.25 | 12.25 Mbytes
+Step Atoms KinEng v_theta 
+       0        0           -0            0 
+     100     4000           -0            0 
+     200     4000           -0            0 
+     300     4000           -0            0 
+     400     4000           -0            0 
+     500     4000           -0            0 
+     600     4000           -0            0 
+     700     4000           -0            0 
+     800     4000           -0            0 
+     900     4000           -0            0 
+    1000     4000           -0            0 
+    1100     4000           -0            0 
+    1200     4000           -0            0 
+    1300     4000           -0            0 
+    1400     4000           -0            0 
+    1500     4000           -0            0 
+    1600     4000           -0            0 
+    1700     4000           -0            0 
+    1800     4000           -0            0 
+    1900     4000           -0            0 
+    2000     4000           -0            0 
+Loop time of 2.0709 on 4 procs for 2000 steps with 4000 atoms
+
+Performance: 83442.024 tau/day, 965.764 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.24679    | 0.26336    | 0.28853    |   3.0 | 12.72
+Neigh   | 0.52279    | 0.5332     | 0.53858    |   0.9 | 25.75
+Comm    | 0.17418    | 0.20253    | 0.23266    |   4.7 |  9.78
+Output  | 0.092897   | 0.093531   | 0.09515    |   0.3 |  4.52
+Modify  | 0.88151    | 0.89571    | 0.90582    |   0.9 | 43.25
+Other   |            | 0.08257    |            |       |  3.99
+
+Nlocal:    1000 ave 1001 max 999 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    267.75 ave 276 max 262 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Neighs:    2031.5 ave 2091 max 1958 min
+Histogram: 1 0 0 0 1 0 0 1 0 1
+
+Total # of neighbors = 8126
+Ave neighs/atom = 2.0315
+Neighbor list builds = 1004
+Dangerous builds = 3
+
+#Remove any particles that are above z > 0.5*drum_height
+delete_atoms	group delgroup
+Deleted 0 atoms, new total = 4000
+
+#Add top lid
+region		top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1
+region		top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1
+fix		5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
+
+# 'Turn' drum by switching the direction of gravity
+unfix		grav
+fix		grav all gravity 10 vector 0 -1 0
+
+variable	theta equal 2*PI*elapsed/20000.0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 21.6 | 22.6 | 23.82 Mbytes
+Step Atoms KinEng v_theta 
+    2000     4000    64.255821            0 
+    2100     4000    106.47082  0.031415927 
+    2200     4000    121.52634  0.062831853 
+    2300     4000    87.748818   0.09424778 
+    2400     4000    82.712784   0.12566371 
+    2500     4000    90.618713   0.15707963 
+    2600     4000    30.096031   0.18849556 
+    2700     4000    4.0838611   0.21991149 
+    2800     4000    3.7485959   0.25132741 
+    2900     4000    4.2159774   0.28274334 
+    3000     4000    4.8730048   0.31415927 
+    3100     4000    5.6109465   0.34557519 
+    3200     4000    6.4290528   0.37699112 
+    3300     4000    7.2699677   0.40840704 
+    3400     4000    8.0895944   0.43982297 
+    3500     4000    8.7222781    0.4712389 
+    3600     4000     9.133205   0.50265482 
+    3700     4000    9.3404584   0.53407075 
+    3800     4000    9.3359844   0.56548668 
+    3900     4000    9.0916854    0.5969026 
+    4000     4000    8.5596424   0.62831853 
+    4100     4000    7.9734883   0.65973446 
+    4200     4000    7.2154383   0.69115038 
+    4300     4000    6.7039232   0.72256631 
+    4400     4000    6.1542738   0.75398224 
+    4500     4000    5.4049454   0.78539816 
+    4600     4000    4.4603192   0.81681409 
+    4700     4000    3.6197985   0.84823002 
+    4800     4000    2.9895571   0.87964594 
+    4900     4000    2.5314553   0.91106187 
+    5000     4000    2.2645533    0.9424778 
+Loop time of 6.64209 on 4 procs for 3000 steps with 4000 atoms
+
+Performance: 39023.861 tau/day, 451.665 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.8376     | 2.126      | 2.3131     |  12.6 | 32.01
+Neigh   | 0.97762    | 1.0518     | 1.1337     |   5.4 | 15.84
+Comm    | 0.53699    | 0.84265    | 1.2325     |  27.6 | 12.69
+Output  | 0.13922    | 0.14159    | 0.14388    |   0.4 |  2.13
+Modify  | 1.8815     | 2.1026     | 2.3368     |  11.2 | 31.66
+Other   |            | 0.3774     |            |       |  5.68
+
+Nlocal:    1000 ave 1256 max 744 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    579.5 ave 789 max 498 min
+Histogram: 2 1 0 0 0 0 0 0 0 1
+Neighs:    3696.25 ave 4853 max 2590 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 14785
+Ave neighs/atom = 3.69625
+Neighbor list builds = 1230
+Dangerous builds = 676
+Total wall time: 0:00:08
diff --git a/examples/granular/log.29Mar19.pour.flatwall.g++.1 b/examples/granular/log.29Mar19.pour.flatwall.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..daab5efce3cbbc428b3f8196cc5ad6f252bdc71e
--- /dev/null
+++ b/examples/granular/log.29Mar19.pour.flatwall.g++.1
@@ -0,0 +1,134 @@
+LAMMPS (29 Mar 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# pour two types of particles (cohesive and non-cohesive) on flat wall
+
+variable   	name string pour_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 20
+variable	boxy equal 20
+variable	boxz equal 30
+
+variable	xc1 equal 0.3*${boxx}
+variable	xc1 equal 0.3*20
+variable	xc2 equal 0.7*${boxx}
+variable	xc2 equal 0.7*20
+variable	yc equal 0.5*${boxy}
+variable	yc equal 0.5*20
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable	dens equal 1.0
+
+variable skin equal 0.3*${rhi}
+variable skin equal 0.3*0.5
+
+#############
+processors	* * 1
+region 		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+region 		boxreg block 0 20 0 ${boxy} 0 ${boxz}
+region 		boxreg block 0 20 0 20 0 ${boxz}
+region 		boxreg block 0 20 0 20 0 30
+create_box	2 boxreg
+Created orthogonal box = (0 0 0) to (20 20 30)
+  1 by 1 by 1 MPI processor grid
+change_box	all boundary p p f
+
+comm_modify 	vel yes
+
+region		insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
+region		insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
+region		insreg1 cylinder z 6 10 5 15 ${boxz}
+region		insreg1 cylinder z 6 10 5 15 30
+region		insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
+region		insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
+region		insreg2 cylinder z 14 10 5 15 ${boxz}
+region		insreg2 cylinder z 14 10 5 15 30
+
+fix		1 all nve/sphere
+fix		grav all gravity 10.0 vector 0 0 -1
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
+Particle insertion: 562 every 346 steps, 1500 by step 693
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
+Particle insertion: 562 every 346 steps, 1500 by step 693
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neighbor	0.15 bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular
+pair_coeff 	1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
+pair_coeff 	2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall
+
+fix		3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
+
+thermo_style	custom step cpu atoms ke
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+#dump		1 all custom 100 ${name}.dump id type radius mass x y z
+
+run		5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.15
+  ghost atom cutoff = 1.15
+  binsize = 0.575, bins = 35 35 53
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair granular, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 12.22 | 12.22 | 12.22 Mbytes
+Step CPU Atoms KinEng 
+       0            0        0           -0 
+     100    3.8153191      855           -0 
+     200     4.195287      855           -0 
+     300    4.5890362      855           -0 
+     400    10.636087     1500           -0 
+     500    11.306909     1500           -0 
+     600    11.968198     1500           -0 
+     700    22.631892     2288           -0 
+     800    23.711387     2288           -0 
+     900    24.754344     2288           -0 
+    1000    25.811778     2288           -0 
+    1100    35.368869     2845           -0 
+    1200    37.149843     2845           -0 
+    1300    39.026458     2845           -0 
+    1400    41.757583     3000           -0 
+    1500    45.155503     3000           -0 
+    1600    48.570241     3000           -0 
+    1700    52.839322     3000           -0 
+    1800    59.772697     3000           -0 
+    1900    69.493305     3000           -0 
+    2000    114.61886     3000           -0 
+    2100    152.89232     3000           -0 
diff --git a/examples/granular/log.29Mar19.pour.flatwall.g++.4 b/examples/granular/log.29Mar19.pour.flatwall.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..62a8b96c05cd7c0c0b56736f6dfc0a9b494c0ad8
--- /dev/null
+++ b/examples/granular/log.29Mar19.pour.flatwall.g++.4
@@ -0,0 +1,191 @@
+LAMMPS (29 Mar 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
+  using 1 OpenMP thread(s) per MPI task
+# pour two types of particles (cohesive and non-cohesive) on flat wall
+
+variable   	name string pour_two_types
+
+atom_style	sphere
+units		lj
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	boxx equal 20
+variable	boxy equal 20
+variable	boxz equal 30
+
+variable	xc1 equal 0.3*${boxx}
+variable	xc1 equal 0.3*20
+variable	xc2 equal 0.7*${boxx}
+variable	xc2 equal 0.7*20
+variable	yc equal 0.5*${boxy}
+variable	yc equal 0.5*20
+
+###############################################
+# Particle-related parameters
+###############################################
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable	dens equal 1.0
+
+variable skin equal 0.3*${rhi}
+variable skin equal 0.3*0.5
+
+#############
+processors	* * 1
+region 		boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
+region 		boxreg block 0 20 0 ${boxy} 0 ${boxz}
+region 		boxreg block 0 20 0 20 0 ${boxz}
+region 		boxreg block 0 20 0 20 0 30
+create_box	2 boxreg
+Created orthogonal box = (0 0 0) to (20 20 30)
+  2 by 2 by 1 MPI processor grid
+change_box	all boundary p p f
+
+comm_modify 	vel yes
+
+region		insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
+region		insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
+region		insreg1 cylinder z 6 10 5 15 ${boxz}
+region		insreg1 cylinder z 6 10 5 15 30
+region		insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
+region		insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
+region		insreg2 cylinder z 14 10 5 15 ${boxz}
+region		insreg2 cylinder z 14 10 5 15 30
+
+fix		1 all nve/sphere
+fix		grav all gravity 10.0 vector 0 0 -1
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
+fix		ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
+Particle insertion: 562 every 346 steps, 1500 by step 693
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
+fix		ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
+Particle insertion: 562 every 346 steps, 1500 by step 693
+
+comm_modify	vel yes
+
+neighbor	${skin} bin
+neighbor	0.15 bin
+neigh_modify	delay 0 every 1 check yes
+
+pair_style	granular
+pair_coeff 	1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
+pair_coeff 	2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall
+
+fix		3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
+
+thermo_style	custom step cpu atoms ke
+thermo_modify	lost warn
+thermo		100
+
+timestep	0.001
+
+dump		1 all custom 100 ${name}.dump id type radius mass x y z
+dump		1 all custom 100 pour_two_types.dump id type radius mass x y z
+
+run		5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.15
+  ghost atom cutoff = 1.15
+  binsize = 0.575, bins = 35 35 53
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair granular, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.98 | 11.98 | 11.98 Mbytes
+Step CPU Atoms KinEng 
+       0            0        0           -0 
+     100   0.11584234      855           -0 
+     200   0.12743592      855           -0 
+     300   0.13925815      855           -0 
+     400   0.35203671     1500           -0 
+     500   0.37055922     1500           -0 
+     600   0.38671875     1500           -0 
+     700   0.71736908     2288           -0 
+     800   0.74506783     2288           -0 
+     900   0.77112222     2288           -0 
+    1000   0.79632139     2288           -0 
+    1100    1.0384252     2845           -0 
+    1200      1.08093     2845           -0 
+    1300    1.1224561     2845           -0 
+    1400    1.1811485     3000           -0 
+    1500    1.2414908     3000           -0 
+    1600    1.3105879     3000           -0 
+    1700     1.390928     3000           -0 
+    1800    1.4869275     3000           -0 
+    1900    1.5958266     3000           -0 
+    2000    1.7172487     3000           -0 
+    2100     1.851155     3000           -0 
+    2200    1.9957182     3000           -0 
+    2300    2.1593764     3000           -0 
+    2400    2.3433132     3000           -0 
+    2500     2.532742     3000           -0 
+    2600    2.7376895     3000           -0 
+    2700    2.9463468     3000           -0 
+    2800    3.1645725     3000           -0 
+    2900    3.3879526     3000           -0 
+    3000    3.6152103     3000           -0 
+    3100    3.8467371     3000           -0 
+    3200    4.0787683     3000           -0 
+    3300    4.3097105     3000           -0 
+    3400    4.5423617     3000           -0 
+    3500    4.7773693     3000           -0 
+    3600    5.0127218     3000           -0 
+    3700    5.2519271     3000           -0 
+    3800    5.4951298     3000           -0 
+    3900    5.7210469     3000           -0 
+    4000    5.9432652     3000           -0 
+    4100    6.1687591     3000           -0 
+    4200    6.3942792     3000           -0 
+    4300    6.6331475     3000           -0 
+    4400    6.8632154     3000           -0 
+    4500    7.0979366     3000           -0 
+    4600    7.3305347     3000           -0 
+    4700    7.5670528     3000           -0 
+    4800    7.8086057     3000           -0 
+    4900    8.0407174     3000           -0 
+    5000    8.2765219     3000           -0 
+Loop time of 8.27669 on 4 procs for 5000 steps with 3000 atoms
+
+Performance: 52194.788 tau/day, 604.106 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.6106     | 3.4073     | 5.4191     |  95.7 | 41.17
+Neigh   | 0.51456    | 0.64572    | 0.81542    |  16.6 |  7.80
+Comm    | 0.2808     | 2.5222     | 4.4998     | 121.9 | 30.47
+Output  | 0.15695    | 0.15919    | 0.16502    |   0.8 |  1.92
+Modify  | 1.3517     | 1.4192     | 1.4904     |   4.9 | 17.15
+Other   |            | 0.123      |            |       |  1.49
+
+Nlocal:    750 ave 1036 max 482 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    429.75 ave 475 max 386 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    4051.75 ave 6274 max 2057 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 16207
+Ave neighs/atom = 5.40233
+Neighbor list builds = 1165
+Dangerous builds = 0
+Total wall time: 0:00:08
diff --git a/examples/hyper/global.000000.jpg b/examples/hyper/global.000000.jpg
new file mode 100644
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diff --git a/examples/hyper/global.041000.jpg b/examples/hyper/global.041000.jpg
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diff --git a/examples/hyper/global.10Oct18.003000.jpg b/examples/hyper/global.10Oct18.003000.jpg
deleted file mode 100644
index ef28d78d78a6bfa8e46804ed1a0d4634a7866ea6..0000000000000000000000000000000000000000
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diff --git a/examples/hyper/global.10Oct18.038000.jpg b/examples/hyper/global.10Oct18.038000.jpg
deleted file mode 100644
index 444531312b457e21250706e9564de38a3bfde4b2..0000000000000000000000000000000000000000
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diff --git a/examples/hyper/global.10Oct18.059000.jpg b/examples/hyper/global.10Oct18.059000.jpg
deleted file mode 100644
index b77a9e3454a3de55e2d4f69843fbd1518082d9ab..0000000000000000000000000000000000000000
Binary files a/examples/hyper/global.10Oct18.059000.jpg and /dev/null differ
diff --git a/examples/hyper/in.hyper.global b/examples/hyper/in.hyper.global
index 22b3b4251b56b6509b3bff59247840c9664129ee..eba5c7bf89ccc60aae85673c7edc6841d811829a 100644
--- a/examples/hyper/in.hyper.global
+++ b/examples/hyper/in.hyper.global
@@ -12,6 +12,8 @@ variable        cutevent index 1.1
 variable        steps index 100000
 variable        nevent index 1000
 variable        zoom index 1.8
+variable        seed index 826626413
+variable        tol index 1.0e-15
 
 units           metal
 atom_style	atomic
@@ -45,7 +47,7 @@ neighbor	0.5 bin
 neigh_modify    every 1 delay 5 check yes
 
 fix		1 mobile nve
-fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
 
 timestep	0.005
 
@@ -92,4 +94,4 @@ dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
 
 # run
 
-hyper           ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
+hyper           ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
diff --git a/examples/hyper/in.hyper.local b/examples/hyper/in.hyper.local
index ef8ed4d042a5a1516fae9a2d70f8bdc590005473..cdf478ac38d013efe50ba32f6df4dad53d205ed1 100644
--- a/examples/hyper/in.hyper.local
+++ b/examples/hyper/in.hyper.local
@@ -107,6 +107,12 @@ dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 &
 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
 dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
 
+# test of histogramming and dump output of bias coeffs
+
+#fix            histo all ave/histo 10 100 1000 0.9 1.1 100 f_HL &
+#               mode vector kind local file tmp.histo
+#dump           2 all local 1000 tmp.local f_HL
+
 # run
 
 hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
diff --git a/examples/hyper/local.10Oct18.000000.jpg b/examples/hyper/local.000000.jpg
similarity index 100%
rename from examples/hyper/local.10Oct18.000000.jpg
rename to examples/hyper/local.000000.jpg
diff --git a/examples/hyper/local.001200.jpg b/examples/hyper/local.001200.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..36bc9cd7bc338633e5a9066b2c4e918dd0a0d29e
Binary files /dev/null and b/examples/hyper/local.001200.jpg differ
diff --git a/examples/hyper/local.10Oct18.000700.jpg b/examples/hyper/local.10Oct18.000700.jpg
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index e1e61dd6aa242cff2f12d7f2517c630f62631ccf..0000000000000000000000000000000000000000
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diff --git a/examples/hyper/local.10Oct18.000800.jpg b/examples/hyper/local.10Oct18.000800.jpg
deleted file mode 100644
index a1e2fbc66a0ac986543bdedbaed05b9afd748091..0000000000000000000000000000000000000000
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diff --git a/examples/hyper/local.10Oct18.001100.jpg b/examples/hyper/local.10Oct18.001100.jpg
deleted file mode 100644
index dea7fd4eafd214fc055036e6e6f3e80a60189059..0000000000000000000000000000000000000000
Binary files a/examples/hyper/local.10Oct18.001100.jpg and /dev/null differ
diff --git a/examples/hyper/log.10Oct18.hyper.global.g++.4 b/examples/hyper/log.10Oct18.hyper.global.g++.4
deleted file mode 100644
index de085415838b8c2822abd62abb4ceccff0e316ee..0000000000000000000000000000000000000000
--- a/examples/hyper/log.10Oct18.hyper.global.g++.4
+++ /dev/null
@@ -1,1243 +0,0 @@
-LAMMPS (10 Oct 2018)
-# 3d EAM surface for global HD
-
-# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
-# hop event on (100) surface is same distance
-# exchange event is 2 atoms moving same distance
-
-variable        Tequil index 500.0
-variable        Vmax index 0.5
-variable        qfactor index 0.3
-variable        cutbond index 3.2
-variable        cutevent index 1.1
-variable        steps index 100000
-variable        nevent index 1000
-variable        zoom index 1.8
-
-units           metal
-atom_style	atomic
-atom_modify     map array
-boundary        p p p
-
-lattice		fcc 3.92
-Lattice spacing in x,y,z = 3.92 3.92 3.92
-region		box block 0 6 0 6 0 4
-create_box	3 box
-Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
-  2 by 2 by 1 MPI processor grid
-create_atoms	1 box
-Created 576 atoms
-  Time spent = 0.000782013 secs
-
-mass            * 1.0
-
-change_box      all z final -0.1 5.0 boundary p p f
-  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
-create_atoms    2 single 3.5 3.5 4
-Created 1 atoms
-  Time spent = 4.69685e-05 secs
-
-# define frozen substrate and mobile atoms
-
-group           adatom type 2
-1 atoms in group adatom
-region          base block INF INF INF INF 0 1.8
-set             region base type 3
-  288 settings made for type
-group           base type 3
-288 atoms in group base
-group           mobile type 1 2
-289 atoms in group mobile
-
-# pair style
-
-pair_style	eam/alloy
-pair_coeff	* * ptvoterlammps.eam Pt Pt Pt
-
-neighbor	0.5 bin
-neigh_modify    every 1 delay 5 check yes
-
-fix		1 mobile nve
-fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
-fix		2 mobile langevin 500.0 ${Tequil} 1.0 858872873 zero yes
-fix		2 mobile langevin 500.0 500.0 1.0 858872873 zero yes
-
-timestep	0.005
-
-compute         tmobile mobile temp
-
-thermo		100
-thermo_modify   temp tmobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
-
-# thermal equilibration
-
-run             1000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.07583
-  ghost atom cutoff = 6.07583
-  binsize = 3.03792, bins = 8 8 7
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair eam/alloy, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.327 | 3.327 | 3.327 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -3213.9136            0   -3213.9136   -51843.125 
-     100    211.06271   -3209.3285            0   -3201.4713   -27323.825 
-     200    320.80707   -3205.3715            0   -3193.4289   -39370.402 
-     300    393.66139    -3202.607            0   -3187.9522   -32163.403 
-     400    401.11987   -3200.2795            0    -3185.347   -35961.543 
-     500    472.27798   -3200.7267            0   -3183.1452   -33044.974 
-     600    485.16253    -3199.818            0   -3181.7569   -34242.615 
-     700    464.85129    -3199.865            0     -3182.56   -35327.179 
-     800    518.91236   -3199.4098            0   -3180.0923     -32088.2 
-     900    502.76061   -3199.3972            0    -3180.681   -36944.263 
-    1000    522.64479   -3200.0627            0   -3180.6063   -32801.856 
-Loop time of 0.333434 on 4 procs for 1000 steps with 577 atoms
-
-Performance: 1295.607 ns/day, 0.019 hours/ns, 2999.091 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.25639    | 0.2636     | 0.2708     |   1.0 | 79.06
-Neigh   | 0.017381   | 0.017991   | 0.018988   |   0.4 |  5.40
-Comm    | 0.026086   | 0.034315   | 0.042505   |   3.2 | 10.29
-Output  | 0.00022078 | 0.00023323 | 0.00026107 |   0.0 |  0.07
-Modify  | 0.013295   | 0.013709   | 0.014107   |   0.2 |  4.11
-Other   |            | 0.003584   |            |       |  1.07
-
-Nlocal:    144.25 ave 149 max 139 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-Nghost:    530.5 ave 536 max 526 min
-Histogram: 1 1 0 0 0 0 0 1 0 1
-Neighs:    3471.75 ave 3626 max 3292 min
-Histogram: 1 0 0 0 1 0 1 0 0 1
-
-Total # of neighbors = 13887
-Ave neighs/atom = 24.0676
-Neighbor list builds = 88
-Dangerous builds = 0
-reset_timestep  0
-
-# pin base so will not move during quenches
-
-fix             freeze base setforce 0.0 0.0 0.0
-
-# event detection
-
-compute         event all event/displace ${cutevent}
-compute         event all event/displace 1.1
-
-# hyper/global
-
-fix             HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
-fix             HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
-fix             HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
-fix             HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
-fix             HG mobile hyper/global 3.2 0.3 0.5 500.0
-
-# thermo output
-
-thermo_style    custom step temp pe f_HG f_HG[*]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
-
-thermo_modify   lost ignore
-thermo_modify   temp tmobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
-
-thermo          ${nevent}
-thermo          1000
-
-# dump output options
-
-region          substrate block INF INF INF INF 1.8 3.8
-region          adatoms block INF INF INF INF 3.8 INF
-variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
-
-dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
-
-# run
-
-hyper           ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
-hyper           100000 ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
-hyper           100000 1000 HG event min 1.0e-6 1.0e-6 100 100 dump 1
-WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.07583
-  ghost atom cutoff = 6.07583
-  binsize = 3.03792, bins = 8 8 7
-  2 neighbor lists, perpetual/occasional/extra = 1 1 0
-  (1) pair eam/alloy, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-  (2) fix hyper/global, occasional, copy from (1)
-      attributes: half, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-       0    522.64479   -3200.0627            0            0            0            0            0            0            0            0            0            0            0            0 
-      13    522.64479   -3217.9151            0            0            0            0            0            0            0            0            0            0            0            0 
-Loop time of 0.0106812 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-       0    522.64479   -3200.0627   0.39402008    9365.7631   0.13811729          429          426    6.0069324            0   0.36151295    3.1652084            0            0            0 
-    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
-Loop time of 0.314234 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
-    1014    512.35059   -3217.9161   0.32845525    2044.9347   0.17572153          257          259    6.0069324   0.13510848   0.77425934    3.8913771    5302.7599            0            0 
-Loop time of 0.0071606 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
-    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
-Loop time of 0.33185 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
-    2015    502.60215   -3217.9155   0.01351505    1.3684394   0.29591771          116          127    6.0069324   0.10223325   0.77425934    3.8913771    11603.458            0            0 
-Loop time of 0.00889879 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
-    3000    481.01481   -3199.1324            0            1    1.0289113          542          544    6.0069324        0.212    2.8308749    5.5814852    12488.613            0            0 
-Loop time of 0.334598 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    3000    481.01481   -3199.1324            0            1    1.0289113          542          544    6.0069324        0.212    2.8308749    5.5814852    12488.613            0            0 
-    3014    481.01481    -3217.916            0            1    1.0289113          542          544    6.0069324   0.21101526    2.8308749    5.5814852    12488.613            0            0 
-Loop time of 0.0103227 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    3000    481.01481   -3199.1324   0.25134819    341.56656   0.21155927          277          539    6.0069324        0.212    2.8308749    5.5814852    12488.613            1            2 
-    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
-Loop time of 0.302547 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
-    4014    474.51721   -3217.9172   0.26384891    456.53799   0.20617274          361           83    6.0069324   0.18261086    2.8308749    5.5814852     22776.39            1            2 
-Loop time of 0.00868511 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
-    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
-Loop time of 0.300419 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
-    5015    478.08772   -3217.9131  0.043886568    2.7692147    0.2865317          275          577    6.0069324   0.15812562    2.8308749    5.5814852    35085.309            1            2 
-Loop time of 0.00705171 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
-    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
-Loop time of 0.287999 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
-    6015    458.77612   -3217.9165   0.27710376    620.98321   0.20030308          511          546    6.0069324   0.17057357    2.8308749    5.5814852    38747.284            1            2 
-Loop time of 0.00888014 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
-    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
-Loop time of 0.29168 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
-    7015    476.88452   -3217.9146    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17676408    2.8308749    5.5814852    45612.389            1            2 
-Loop time of 0.00871038 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
-    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
-Loop time of 0.284021 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
-    8015    521.60584   -3217.9163   0.22715857    194.82964   0.22161105          419          124    6.0069324   0.19151591    2.8308749    5.5814852    46748.053            1            2 
-Loop time of 0.00697637 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
-    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
-Loop time of 0.238759 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
-    9014    496.87475   -3217.9149   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18360328    2.8308749    5.5814852    49596.596            1            2 
-Loop time of 0.00677681 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
-   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
-Loop time of 0.23881 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
-   10013     478.6826   -3217.9144   0.37406677    5894.1727    0.1505589          127          132    6.0069324   0.19794267    2.8308749    5.5814852    54170.476            1            2 
-Loop time of 0.00627023 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
-   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
-Loop time of 0.238288 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
-   11013    518.40222    -3217.915   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18786888    2.8308749    5.5814852    58304.709            1            2 
-Loop time of 0.00599569 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
-   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
-Loop time of 0.23842 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
-   12013    552.07348   -3217.9165 0.0063435549    1.1586177   0.29809086          144          143    6.0069324    0.1799717    2.8308749    5.5814852    66990.451            1            2 
-Loop time of 0.00602174 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
-   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
-Loop time of 0.237671 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
-   13014    471.13412   -3217.9158   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17319809    2.8308749    5.5814852    74345.114            1            2 
-Loop time of 0.00647223 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
-   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
-Loop time of 0.238789 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
-   14015    470.81692   -3217.9147   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18216197    2.8308749    5.5814852    76252.748            1            2 
-Loop time of 0.00651169 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
-   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
-Loop time of 0.23755 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
-   15014     473.2435   -3217.9161   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18536033    2.8308749    5.5814852    81659.641            1            2 
-Loop time of 0.00644851 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
-   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
-Loop time of 0.240195 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
-   16015    504.33627   -3217.9137  0.036898146    2.3545967   0.28871843          264          275    6.0069324   0.19968779    2.8308749    5.5814852    82224.366            1            2 
-Loop time of 0.00684911 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
-   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
-Loop time of 0.240567 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
-   17016    497.60607   -3217.9161 0.0067178767    1.1687272   0.29797782          264          275    6.0069324   0.21679596    2.8308749    5.5814852     82242.51            1            2 
-Loop time of 0.00708336 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
-   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
-Loop time of 0.240636 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
-   18014    523.92168   -3217.9153   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22427001    2.8308749    5.5814852    82304.143            1            2 
-Loop time of 0.00646216 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
-   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
-Loop time of 0.239259 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
-   19014    538.76557   -3217.9141  0.036295998    2.3219194   0.28890608          397          400    6.0069324   0.22783212    2.8308749    5.5814852    83487.232            1            2 
-Loop time of 0.0061307 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
-   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
-Loop time of 0.241751 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
-   20014     483.9598   -3217.9137   0.13750177    24.319538   0.25544017          400          131    6.0069324   0.21854702    2.8308749    5.5814852    91177.618            1            2 
-Loop time of 0.00646776 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
-   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
-Loop time of 0.239403 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
-   21014    518.44073   -3217.9126   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21257257    2.8308749    5.5814852     99740.17            1            2 
-Loop time of 0.00643963 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
-   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
-Loop time of 0.241227 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
-   22033    518.95823    -3217.916            0            1    0.4887755          262          263    6.0069324   0.22293832    2.8308749    5.5814852    103304.87            1            2 
-Loop time of 0.015579 on 4 procs for 33 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
-   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
-Loop time of 0.240257 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
-   23015    534.01428   -3217.9147   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22454921    2.8308749    5.5814852    108159.84            1            2 
-Loop time of 0.0067718 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
-   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
-Loop time of 0.241014 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
-   24014    502.61915   -3217.9149   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21870575    2.8308749    5.5814852    115124.63            1            2 
-Loop time of 0.006706 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
-   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
-Loop time of 0.239452 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
-   25013    510.27664   -3217.9127   0.34609419    3079.4414   0.16644232          120          119    6.0069324    0.2150082    2.8308749    5.5814852    118042.99            1            2 
-Loop time of 0.00622821 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
-   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
-Loop time of 0.271219 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
-   26015    511.79717   -3217.9147   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21260811    2.8308749    5.5814852    124902.88            1            2 
-Loop time of 0.0105773 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
-   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
-Loop time of 0.293879 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
-   27015    487.73368   -3217.9161   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20803257    2.8308749    5.5814852    130713.79            1            2 
-Loop time of 0.00895333 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
-   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
-Loop time of 0.286141 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
-   28014    468.95408   -3217.9167    0.3457758    3056.7694    0.1666144          549          515    6.0069324   0.20389805    2.8308749    5.5814852     135376.2            1            2 
-Loop time of 0.00648469 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
-   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
-Loop time of 0.24066 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
-   29014    518.03534   -3217.9137  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20021369    2.8308749    5.5814852    143604.35            1            2 
-Loop time of 0.0063417 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
-   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
-Loop time of 0.259515 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
-   30014    535.78782   -3217.9119   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19587526    2.8308749    5.5814852    150106.09            1            2 
-Loop time of 0.0123347 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
-   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
-Loop time of 0.321976 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
-   31014    547.06872   -3217.9165   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19978074    2.8308749    5.5814852    151076.53            1            2 
-Loop time of 0.00811768 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
-   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
-Loop time of 0.290834 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
-   32013    469.53603   -3217.9147   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20163684    2.8308749    5.5814852    152526.06            1            2 
-Loop time of 0.00746775 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
-   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
-Loop time of 0.243351 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
-   33014    491.33889   -3217.9155   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19824923    2.8308749    5.5814852    156385.66            1            2 
-Loop time of 0.00658584 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
-   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
-Loop time of 0.238415 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
-   34016    503.19322   -3217.9158  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19784807    2.8308749    5.5814852    161964.99            1            2 
-Loop time of 0.00771642 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
-   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
-Loop time of 0.240164 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
-   35015    513.68037   -3217.9147   0.26004762    417.98593   0.20782548          264          275    6.0069324   0.19891475    2.8308749    5.5814852    164995.25            1            2 
-Loop time of 0.00711012 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
-   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
-Loop time of 0.240289 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
-   36014    508.23462   -3217.9163  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20061643    2.8308749    5.5814852    167465.14            1            2 
-Loop time of 0.00642586 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
-   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
-Loop time of 0.239462 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
-   37015    500.95069    -3217.916  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19775767    2.8308749    5.5814852    169290.01            1            2 
-Loop time of 0.00713468 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
-   38000    495.41803   -3199.6385            0            1    1.0152866          262          275    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            1            2 
-Loop time of 0.239667 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   38000    495.41803   -3199.6385            0            1    1.0152866          262          275    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            1            2 
-   38013    495.41803   -3217.9157            0            1    1.0152866          262          275    6.0069324   0.21787283    2.8308749    5.5814852     169297.9            1            2 
-Loop time of 0.00627661 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   38000    495.41803   -3199.6385   0.39298625    9143.7129   0.13878932          430          431    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            2            4 
-   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
-Loop time of 0.238329 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
-   39015    469.05202    -3217.917   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21402025    2.8308749    5.5814852    175842.05            2            4 
-Loop time of 0.00683451 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
-   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
-Loop time of 0.23954 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
-   40014    542.78328   -3217.9148   0.18612218    75.166934    0.2376931          567          560    6.0069324   0.21420003    2.8308749    5.5814852    179412.45            2            4 
-Loop time of 0.00652599 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
-   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
-Loop time of 0.239863 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
-   41014    548.99015   -3217.9174   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21107427    2.8308749    5.5814852    184564.49            2            4 
-Loop time of 0.00668764 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
-   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
-Loop time of 0.238458 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
-   42014     492.4929   -3217.9154   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20947779    2.8308749    5.5814852    187620.86            2            4 
-Loop time of 0.00658375 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
-   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
-Loop time of 0.240476 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
-   43015    524.32334   -3217.9151     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20885738    2.8308749    5.5814852    189618.98            2            4 
-Loop time of 0.00655174 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
-   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
-Loop time of 0.240179 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
-   44015    490.60365   -3217.9148   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21011019    2.8308749    5.5814852    193452.76            2            4 
-Loop time of 0.00717342 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
-   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
-Loop time of 0.24121 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
-   45013    516.91704   -3217.9155   0.30358614    1148.1804   0.18802791          114          120    6.0069324   0.20913958    2.8308749    5.5814852    194591.87            2            4 
-Loop time of 0.00649601 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
-   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
-Loop time of 0.239441 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
-   46015     511.1774   -3217.9159   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20762795    2.8308749    5.5814852    199937.52            2            4 
-Loop time of 0.00681973 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
-   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
-Loop time of 0.24022 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
-   47016     480.5069   -3217.9167  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20595117    2.8308749    5.5814852    202107.88            2            4 
-Loop time of 0.007438 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
-   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
-Loop time of 0.241529 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
-   48015    540.51895   -3217.9148   0.04754734    3.0147795   0.28537953          544          556    6.0069324   0.20843486    2.8308749    5.5814852    202899.91            2            4 
-Loop time of 0.00695753 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
-   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
-Loop time of 0.241009 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
-   49013    527.63013   -3217.9157   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20955665    2.8308749    5.5814852    210926.93            2            4 
-Loop time of 0.00608408 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
-   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
-Loop time of 0.239941 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
-   50013    516.69962   -3217.9156   0.35295929    3611.3455   0.16268782          266          243    6.0069324   0.20892568    2.8308749    5.5814852    215664.98            2            4 
-Loop time of 0.00602353 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
-   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
-Loop time of 0.240274 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
-   51015    533.05598   -3217.9143   0.17474232    57.719563    0.2419636          123          128    6.0069324   0.20644908    2.8308749    5.5814852     221609.1            2            4 
-Loop time of 0.00743866 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
-   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
-Loop time of 0.239709 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
-   52017    545.98999   -3217.9153            0            1   0.30964409          287          276    6.0069324   0.20326047    2.8308749    5.5814852    230246.21            2            4 
-Loop time of 0.00786757 on 4 procs for 17 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
-   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
-Loop time of 0.240351 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
-   53014    453.58658   -3217.9131   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20360659    2.8308749    5.5814852    233492.88            2            4 
-Loop time of 0.0067966 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
-   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
-Loop time of 0.238634 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
-   54014    502.12681   -3217.9165   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20259562    2.8308749    5.5814852    239627.25            2            4 
-Loop time of 0.00671387 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
-   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
-Loop time of 0.240888 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
-   55013     470.7967   -3217.9136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20037082    2.8308749    5.5814852    246248.56            2            4 
-Loop time of 0.00596166 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
-   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
-Loop time of 0.239487 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
-   56014    533.34641   -3217.9162   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19921805    2.8308749    5.5814852    252499.61            2            4 
-Loop time of 0.00619745 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
-   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
-Loop time of 0.241093 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
-   57016    516.06876   -3217.9146            0            1   0.33139119          287          276    6.0069324   0.19801459    2.8308749    5.5814852    255923.67            2            4 
-Loop time of 0.00772929 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
-   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
-Loop time of 0.239761 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
-   58014    489.18902   -3217.9165   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20089978    2.8308749    5.5814852    256132.07            2            4 
-Loop time of 0.00660753 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
-   59000    522.75445   -3197.4454            0            1   0.91317104          274          556    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            2            4 
-Loop time of 0.241627 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   59000    522.75445   -3197.4454            0            1   0.91317104          274          556    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            2            4 
-   59013    522.75445   -3217.9138            0            1   0.91317104          274          556    6.0069324   0.20300612    2.8308749    5.5814852    259828.37            2            4 
-Loop time of 0.00618345 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   59000    522.75445   -3197.4454   0.40114631    11050.253    0.1333929          547          548    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            3            6 
-   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
-Loop time of 0.239681 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
-   60015    552.18712   -3217.9157   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20121636    2.8308749    5.5814852    263208.58            3            6 
-Loop time of 0.00685382 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
-   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
-Loop time of 0.239598 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
-   61014    450.24979   -3217.9146   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20098666    2.8308749    5.5814852    267126.63            3            6 
-Loop time of 0.00683248 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
-   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
-Loop time of 0.238224 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
-   62014    506.89399   -3217.9156   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20069662    2.8308749    5.5814852    270687.24            3            6 
-Loop time of 0.00685287 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
-   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
-Loop time of 0.238676 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
-   63014    510.04068   -3217.9141  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19925731    2.8308749    5.5814852     274694.1            3            6 
-Loop time of 0.00670481 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
-   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
-Loop time of 0.238342 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
-   64014    501.25574   -3217.9141  0.083024533    6.8683042   0.27396274          286          119    6.0069324   0.19995626    2.8308749    5.5814852    276114.67            3            6 
-Loop time of 0.00604939 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
-   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
-Loop time of 0.239458 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
-   65014    476.31749    -3217.913   0.15323867     35.04097   0.24983402          267          260    6.0069324    0.1983419    2.8308749    5.5814852    282281.34            3            6 
-Loop time of 0.00661784 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
-   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
-Loop time of 0.239712 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
-   66014    515.81365   -3217.9165   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19915472    2.8308749    5.5814852    284618.61            3            6 
-Loop time of 0.00680089 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
-   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
-Loop time of 0.239938 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
-   67014    484.31519   -3217.9146   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19842123    2.8308749    5.5814852    289586.09            3            6 
-Loop time of 0.00659657 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
-   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
-Loop time of 0.240483 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
-   68014    484.02912   -3217.9156   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19717999    2.8308749    5.5814852    298036.66            3            6 
-Loop time of 0.00666052 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
-   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
-Loop time of 0.23984 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
-   69015    516.84151   -3217.9163   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19601536    2.8308749    5.5814852    302894.58            3            6 
-Loop time of 0.0070501 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
-   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
-Loop time of 0.240016 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
-   70014    521.52008   -3217.9145   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19467535    2.8308749    5.5814852    308489.53            3            6 
-Loop time of 0.00656152 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
-   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
-Loop time of 0.238921 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
-   71016    456.91639   -3217.9154  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19749071    2.8308749    5.5814852    308872.53            3            6 
-Loop time of 0.00665921 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
-   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
-Loop time of 0.238494 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
-   72014    505.77427   -3217.9154  0.011213996    1.2972748   0.29661672          275          567    6.0069324    0.2001833    2.8308749    5.5814852    308922.44            3            6 
-Loop time of 0.00666285 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
-   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
-Loop time of 0.240884 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
-   73014    505.42011   -3217.9145     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19985208    2.8308749    5.5814852    312318.94            3            6 
-Loop time of 0.00641418 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
-   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
-Loop time of 0.239838 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
-   74014    525.14325   -3217.9164  0.091100202    8.2841621   0.27129682          403          404    6.0069324    0.1988948    2.8308749    5.5814852    316054.12            3            6 
-Loop time of 0.00640178 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
-   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
-Loop time of 0.241485 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
-   75015    529.75357   -3217.9131   0.27468673      587.107   0.20138617          262          553    6.0069324   0.19736053    2.8308749    5.5814852    320757.39            3            6 
-Loop time of 0.00727272 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
-   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
-Loop time of 0.246189 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
-   76015    494.67435   -3217.9124  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19740841    2.8308749    5.5814852    321584.51            3            6 
-Loop time of 0.00856209 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
-   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
-Loop time of 0.244489 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
-   77014     478.4265   -3217.9158  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19798998    2.8308749    5.5814852    323214.67            3            6 
-Loop time of 0.00662231 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
-   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
-Loop time of 0.238902 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
-   78014    501.53059   -3217.9148  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19642628    2.8308749    5.5814852    328321.34            3            6 
-Loop time of 0.00632596 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
-   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
-Loop time of 0.238987 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
-   79014    500.93975   -3217.9148     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19502873    2.8308749    5.5814852    333018.93            3            6 
-Loop time of 0.00644779 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
-   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
-Loop time of 0.238806 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
-   80014    521.43512   -3217.9164   0.15540998    36.852069    0.2490506          253          136    6.0069324   0.19359112    2.8308749    5.5814852    337716.24            3            6 
-Loop time of 0.00644064 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
-   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
-Loop time of 0.240714 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
-   81015    533.69561   -3217.9142   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19218663    2.8308749    5.5814852    343062.81            3            6 
-Loop time of 0.00675607 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
-   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
-Loop time of 0.239094 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
-   82014    522.58314    -3217.917   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19127222    2.8308749    5.5814852    347897.31            3            6 
-Loop time of 0.00662041 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
-   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
-Loop time of 0.240335 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
-   83015    518.24081   -3217.9151   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18974884    2.8308749    5.5814852    355870.51            3            6 
-Loop time of 0.00710487 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
-   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
-Loop time of 0.239069 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
-   84014    524.77376   -3217.9145   0.32714869    1983.8549   0.17638944          275          567    6.0069324   0.18896851    2.8308749    5.5814852    358623.76            3            6 
-Loop time of 0.00662088 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
-   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
-Loop time of 0.240117 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
-   85014    485.77334   -3217.9148 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19099207    2.8308749    5.5814852    362933.93            3            6 
-Loop time of 0.00642967 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
-   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
-Loop time of 0.23899 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
-   86014    520.32504   -3217.9156   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19178273    2.8308749    5.5814852    366756.98            3            6 
-Loop time of 0.00667548 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
-   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
-Loop time of 0.241176 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
-   87014    492.06505   -3217.9141   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19093479    2.8308749    5.5814852    370757.69            3            6 
-Loop time of 0.00634283 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
-   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
-Loop time of 0.239888 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
-   88014     519.1972   -3217.9152   0.27684477    617.26171   0.20041941          411          416    6.0069324   0.19021974    2.8308749    5.5814852    375119.46            3            6 
-Loop time of 0.00669366 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
-   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
-Loop time of 0.241238 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
-   89014    524.26014   -3217.9158    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19217202    2.8308749    5.5814852    375708.76            3            6 
-Loop time of 0.00632095 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
-   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
-Loop time of 0.240092 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
-   90013    498.11952   -3217.9105    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19209448    2.8308749    5.5814852    380021.68            3            6 
-Loop time of 0.00614023 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
-   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
-Loop time of 0.240887 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
-   91015      518.719   -3217.9166            0            1   0.38452588          128          139    6.0069324   0.19134209    2.8308749    5.5814852    386325.64            3            6 
-Loop time of 0.00709724 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
-   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
-Loop time of 0.241415 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
-   92014    489.88256   -3217.9165   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19184037    2.8308749    5.5814852    387621.28            3            6 
-Loop time of 0.00761282 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
-   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
-Loop time of 0.242326 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
-   93015    470.86218   -3217.9141            0            1   0.35506745          275          567    6.0069324   0.19336666    2.8308749    5.5814852     388253.6            3            6 
-Loop time of 0.006814 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
-   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
-Loop time of 0.239427 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
-   94014    500.15102   -3217.9143   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19422639    2.8308749    5.5814852    390879.44            3            6 
-Loop time of 0.00671053 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
-   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
-Loop time of 0.240334 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
-   95014    490.13908   -3217.9156   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19326626    2.8308749    5.5814852    393723.55            3            6 
-Loop time of 0.00659347 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
-   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
-Loop time of 0.239501 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
-   96016    487.33226   -3217.9155            0            1   0.37635306          275          567    6.0069324    0.1928012    2.8308749    5.5814852    397503.57            3            6 
-Loop time of 0.00752759 on 4 procs for 16 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
-   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
-Loop time of 0.241445 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
-   97014    474.12539   -3217.9109   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19288969    2.8308749    5.5814852    402607.83            3            6 
-Loop time of 0.00657606 on 4 procs for 14 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
-   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
-Loop time of 0.239002 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
-   98013    529.81368   -3217.9152   0.31966379    1667.4989   0.18016803          219          257    6.0069324    0.1922398    2.8308749    5.5814852    408103.05            3            6 
-Loop time of 0.00612688 on 4 procs for 13 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
-   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
-Loop time of 0.239787 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
-   99015    521.70465   -3217.9162  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19118315    2.8308749    5.5814852    410506.47            3            6 
-Loop time of 0.00708294 on 4 procs for 15 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
-  100000    513.67972   -3199.6382   0.37912459    6628.3181   0.14750449          554          556    6.0069324      0.19018    2.8308749    5.5814852    415873.98            3            6 
-Loop time of 0.239291 on 4 procs for 1000 steps with 577 atoms
-
-Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
-  100000    513.67972   -3199.6382   0.37912459    6628.3181   0.14750449          554          556    6.0069324      0.19018    2.8308749    5.5814852    415873.98            3            6 
-  100015    513.67972   -3217.9139   0.37912459    6628.3181   0.14750449          554          556    6.0069324   0.19015148    2.8308749    5.5814852    415873.98            3            6 
-Loop time of 0.00685054 on 4 procs for 15 steps with 577 atoms
-
-Final hyper stats ...
-
-Cummulative quantities for fix hyper:
-  hyper time = 415874
-  event timesteps = 3
-  # of atoms in events = 6
-Quantities for this hyper run:
-  event timesteps = 3
-  # of atoms in events = 6
-  max length of any bond = 5.58149
-  max drift distance of any atom = 2.83087
-  fraction of steps & bonds with zero bias = 0.19018
-Current quantities:
-  ave bonds/atom = 6.00693
-
-Loop time of 25.9832 on 4 procs for 100000 steps with 577 atoms
-
-Performance: 1662.613 ns/day, 0.014 hours/ns, 3848.641 timesteps/s
-100.4% CPU use with 4 MPI tasks x no OpenMP threads
-
-Hyper stats:
-  Dynamics time (%) = 24.8121 (95.4928)
-  Quench   time (%) = 0.715868 (2.75512)
-  Other    time (%) = 0.879782 (3.38596)
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 17.954     | 18.433     | 18.794     |   8.4 | 70.94
-Neigh   | 1.4147     | 1.4662     | 1.5092     |   2.9 |  5.64
-Comm    | 2.0975     | 2.2026     | 2.3076     |   5.6 |  8.48
-Output  | 0.0030999  | 0.0031937  | 0.003444   |   0.3 |  0.01
-Modify  | 2.6366     | 2.9984     | 3.4835     |  19.3 | 11.54
-Other   |            | 0.8798     |            |       |  3.39
-
-Nlocal:    144.25 ave 150 max 139 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    533.25 ave 538 max 527 min
-Histogram: 1 0 0 0 1 0 0 0 1 1
-Neighs:    3359.25 ave 3495 max 3245 min
-Histogram: 1 0 1 0 0 1 0 0 0 1
-
-Total # of neighbors = 13437
-Ave neighs/atom = 23.2877
-Neighbor list builds = 10069
-Dangerous builds = 0
-Total wall time: 0:00:26
diff --git a/examples/hyper/log.10Oct18.hyper.local.g++.16 b/examples/hyper/log.10Oct18.hyper.local.g++.16
deleted file mode 100644
index 480fcf0248c2d05c84afb5dce2c24f3f1f5b36a9..0000000000000000000000000000000000000000
--- a/examples/hyper/log.10Oct18.hyper.local.g++.16
+++ /dev/null
@@ -1,993 +0,0 @@
-LAMMPS (10 Oct 2018)
-# 3d EAM surface for local HD
-
-# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
-# hop event on (100) surface is same distance
-# exchange event is 2 atoms moving same distance
-
-variable        Tequil index 400.0
-variable        Vmax index 0.4
-variable        qfactor index 0.3
-variable        cutbond index 3.2
-variable        Dcut index 10.0
-variable        cutevent index 1.1
-variable        alpha index 200.0
-variable        boost index 4000.0
-variable        ghostcut index 12.0
-variable        steps index 1500
-variable        nevent index 100
-variable        nx index 8
-variable        ny index 8
-variable        zoom index 1.8
-variable        seed index 826626413
-variable        tol index 1.0e-15
-variable        add index 37K
-
-units           metal
-atom_style	atomic
-atom_modify     map array
-boundary        p p p
-comm_modify     cutoff ${ghostcut}
-comm_modify     cutoff 12.0
-
-lattice		fcc 3.92
-Lattice spacing in x,y,z = 3.92 3.92 3.92
-region		box block 0 6 0 6 0 4
-create_box	2 box
-Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
-  2 by 4 by 2 MPI processor grid
-create_atoms	1 box
-Created 576 atoms
-  Time spent = 0.00108504 secs
-
-mass            * 1.0
-
-change_box      all z final -0.1 5.0 boundary p p f
-  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
-
-# replicate in xy
-
-replicate       ${nx} ${ny} 1
-replicate       8 ${ny} 1
-replicate       8 8 1
-  orthogonal box = (0 0 -0.392) to (188.16 188.16 19.6)
-  4 by 4 by 1 MPI processor grid
-  36864 atoms
-  Time spent = 0.0028758 secs
-
-# add adatoms
-
-include         adatoms.list.${add}
-include         adatoms.list.37K
-create_atoms 1 single 27.5 9.5 4
-Created 1 atoms
-  Time spent = 0.000183105 secs
-create_atoms 1 single 16 9 4
-Created 1 atoms
-  Time spent = 0.000178099 secs
-create_atoms 1 single 10 12 4
-Created 1 atoms
-  Time spent = 0.000179768 secs
-create_atoms 1 single 31 44 4
-Created 1 atoms
-  Time spent = 0.000184059 secs
-create_atoms 1 single 13 17 4
-Created 1 atoms
-  Time spent = 0.000173807 secs
-create_atoms 1 single 8.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000167847 secs
-create_atoms 1 single 23 26 4
-Created 1 atoms
-  Time spent = 0.000179052 secs
-create_atoms 1 single 38 27 4
-Created 1 atoms
-  Time spent = 0.000169992 secs
-create_atoms 1 single 37.5 4.5 4
-Created 1 atoms
-  Time spent = 0.000166178 secs
-create_atoms 1 single 41.5 47.5 4
-Created 1 atoms
-  Time spent = 0.000172138 secs
-create_atoms 1 single 20.5 37.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 5 8 4
-Created 1 atoms
-  Time spent = 0.00018096 secs
-create_atoms 1 single 2.5 16.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 38.5 45.5 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 9 0 4
-Created 1 atoms
-  Time spent = 0.000168085 secs
-create_atoms 1 single 39 32 4
-Created 1 atoms
-  Time spent = 0.000170946 secs
-create_atoms 1 single 45.5 11.5 4
-Created 1 atoms
-  Time spent = 0.00018096 secs
-create_atoms 1 single 40 0 4
-Created 1 atoms
-  Time spent = 0.000168085 secs
-create_atoms 1 single 44.5 2.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 4.5 44.5 4
-Created 1 atoms
-  Time spent = 0.000168085 secs
-create_atoms 1 single 24.5 13.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 47.5 23.5 4
-Created 1 atoms
-  Time spent = 0.00018096 secs
-create_atoms 1 single 1 20 4
-Created 1 atoms
-  Time spent = 0.000166893 secs
-create_atoms 1 single 38.5 31.5 4
-Created 1 atoms
-  Time spent = 0.000168085 secs
-create_atoms 1 single 12.5 12.5 4
-Created 1 atoms
-  Time spent = 0.000169992 secs
-create_atoms 1 single 2 27 4
-Created 1 atoms
-  Time spent = 0.000188828 secs
-create_atoms 1 single 21 5 4
-Created 1 atoms
-  Time spent = 0.000174999 secs
-create_atoms 1 single 47 12 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 32.5 46.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 9.5 40.5 4
-Created 1 atoms
-  Time spent = 0.000166893 secs
-create_atoms 1 single 8.5 2.5 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 41.5 22.5 4
-Created 1 atoms
-  Time spent = 0.000174046 secs
-create_atoms 1 single 29 11 4
-Created 1 atoms
-  Time spent = 0.000166893 secs
-create_atoms 1 single 3.5 3.5 4
-Created 1 atoms
-  Time spent = 0.000165224 secs
-create_atoms 1 single 5 21 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 46.5 31.5 4
-Created 1 atoms
-  Time spent = 0.000166178 secs
-create_atoms 1 single 35 46 4
-Created 1 atoms
-  Time spent = 0.000183105 secs
-create_atoms 1 single 40.5 41.5 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 10 22 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 43.5 14.5 4
-Created 1 atoms
-  Time spent = 0.000169992 secs
-create_atoms 1 single 42 42 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 4 26 4
-Created 1 atoms
-  Time spent = 0.000174999 secs
-create_atoms 1 single 19 34 4
-Created 1 atoms
-  Time spent = 0.000163078 secs
-create_atoms 1 single 33 9 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 0.5 45.5 4
-Created 1 atoms
-  Time spent = 0.000163078 secs
-create_atoms 1 single 30.5 32.5 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 25.5 5.5 4
-Created 1 atoms
-  Time spent = 0.000178099 secs
-create_atoms 1 single 47.5 39.5 4
-Created 1 atoms
-  Time spent = 0.000165939 secs
-create_atoms 1 single 15 13 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 21 21 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 14 28 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 9 34 4
-Created 1 atoms
-  Time spent = 0.000174999 secs
-create_atoms 1 single 7 38 4
-Created 1 atoms
-  Time spent = 0.000175953 secs
-create_atoms 1 single 11 35 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 20.5 45.5 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 30.5 31.5 4
-Created 1 atoms
-  Time spent = 0.000159979 secs
-create_atoms 1 single 32.5 2.5 4
-Created 1 atoms
-  Time spent = 0.000166178 secs
-create_atoms 1 single 21.5 3.5 4
-Created 1 atoms
-  Time spent = 0.000157833 secs
-create_atoms 1 single 23 12 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 4.5 33.5 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 46 43 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 42.5 45.5 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 4.5 10.5 4
-Created 1 atoms
-  Time spent = 0.000158072 secs
-create_atoms 1 single 33.5 15.5 4
-Created 1 atoms
-  Time spent = 0.000157833 secs
-create_atoms 1 single 24 5 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 13 16 4
-Created 1 atoms
-  Time spent = 0.000158072 secs
-create_atoms 1 single 16.5 23.5 4
-Created 1 atoms
-  Time spent = 0.000156164 secs
-create_atoms 1 single 45.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000247002 secs
-create_atoms 1 single 44.5 5.5 4
-Created 1 atoms
-  Time spent = 0.000156164 secs
-create_atoms 1 single 27.5 46.5 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 44.5 12.5 4
-Created 1 atoms
-  Time spent = 0.000157833 secs
-create_atoms 1 single 12 41 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 6 4 4
-Created 1 atoms
-  Time spent = 0.0001688 secs
-create_atoms 1 single 31.5 10.5 4
-Created 1 atoms
-  Time spent = 0.00015521 secs
-create_atoms 1 single 1 44 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 31 4 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 21 33 4
-Created 1 atoms
-  Time spent = 0.000156879 secs
-create_atoms 1 single 3 33 4
-Created 1 atoms
-  Time spent = 0.000164032 secs
-create_atoms 1 single 15 10 4
-Created 1 atoms
-  Time spent = 0.0001719 secs
-create_atoms 1 single 28.5 22.5 4
-Created 1 atoms
-  Time spent = 0.000153065 secs
-create_atoms 1 single 43 1 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 3.5 0.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 41 37 4
-Created 1 atoms
-  Time spent = 0.000153065 secs
-create_atoms 1 single 18.5 43.5 4
-Created 1 atoms
-  Time spent = 0.000213146 secs
-create_atoms 1 single 17 27 4
-Created 1 atoms
-  Time spent = 0.000159979 secs
-create_atoms 1 single 3 5 4
-Created 1 atoms
-  Time spent = 0.000153065 secs
-create_atoms 1 single 18.5 23.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 31.5 14.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 41 31 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 22 3 4
-Created 1 atoms
-  Time spent = 0.00015521 secs
-create_atoms 1 single 14.5 40.5 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 9 38 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 36 42 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 33 22 4
-Created 1 atoms
-  Time spent = 0.000163078 secs
-create_atoms 1 single 15.5 47.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 3 0 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 25.5 27.5 4
-Created 1 atoms
-  Time spent = 0.000176907 secs
-create_atoms 1 single 2.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 29.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000162125 secs
-create_atoms 1 single 44.5 18.5 4
-Created 1 atoms
-  Time spent = 0.000152826 secs
-create_atoms 1 single 26 40 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 41 27 4
-Created 1 atoms
-  Time spent = 0.000158072 secs
-create_atoms 1 single 39.5 5.5 4
-Created 1 atoms
-  Time spent = 0.000155926 secs
-create_atoms 1 single 3 38 4
-Created 1 atoms
-  Time spent = 0.000152826 secs
-create_atoms 1 single 35 29 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 11 19 4
-Created 1 atoms
-  Time spent = 0.000164986 secs
-create_atoms 1 single 18 1 4
-Created 1 atoms
-  Time spent = 0.000146866 secs
-create_atoms 1 single 39.5 40.5 4
-Created 1 atoms
-  Time spent = 0.000146866 secs
-create_atoms 1 single 46 17 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 1.5 23.5 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 28.5 23.5 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 10 28 4
-Created 1 atoms
-  Time spent = 0.000159979 secs
-create_atoms 1 single 19 47 4
-Created 1 atoms
-  Time spent = 0.000148058 secs
-create_atoms 1 single 10.5 16.5 4
-Created 1 atoms
-  Time spent = 0.000147104 secs
-create_atoms 1 single 38 45 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 42.5 41.5 4
-Created 1 atoms
-  Time spent = 0.000161886 secs
-create_atoms 1 single 47.5 42.5 4
-Created 1 atoms
-  Time spent = 0.000147104 secs
-create_atoms 1 single 38 7 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 10 44 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 29.5 27.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 45 30 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 3 9 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 8.5 35.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 24 44 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 47 4 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 7.5 8.5 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 32.5 41.5 4
-Created 1 atoms
-  Time spent = 0.000157833 secs
-create_atoms 1 single 0.5 34.5 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 11 8 4
-Created 1 atoms
-  Time spent = 0.000147104 secs
-create_atoms 1 single 2 40 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 25 24 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 47.5 6.5 4
-Created 1 atoms
-  Time spent = 0.000147104 secs
-create_atoms 1 single 39.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 17 21 4
-Created 1 atoms
-  Time spent = 0.000164032 secs
-create_atoms 1 single 32 43 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 16.5 29.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 34 34 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 11.5 3.5 4
-Created 1 atoms
-  Time spent = 0.000154018 secs
-create_atoms 1 single 39 22 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 24.5 36.5 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 33 31 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 35.5 35.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 14.5 34.5 4
-Created 1 atoms
-  Time spent = 0.000146866 secs
-create_atoms 1 single 34 28 4
-Created 1 atoms
-  Time spent = 0.000153065 secs
-create_atoms 1 single 37 41 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 33 46 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 27.5 28.5 4
-Created 1 atoms
-  Time spent = 0.000145197 secs
-create_atoms 1 single 40.5 22.5 4
-Created 1 atoms
-  Time spent = 0.000150919 secs
-create_atoms 1 single 27.5 1.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 12 2 4
-Created 1 atoms
-  Time spent = 0.000151873 secs
-create_atoms 1 single 36 43 4
-Created 1 atoms
-  Time spent = 0.000144005 secs
-create_atoms 1 single 28.5 9.5 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 20.5 25.5 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 3 3 4
-Created 1 atoms
-  Time spent = 0.000144005 secs
-create_atoms 1 single 38 33 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 3 20 4
-Created 1 atoms
-  Time spent = 0.000154972 secs
-create_atoms 1 single 35 11 4
-Created 1 atoms
-  Time spent = 0.000145912 secs
-create_atoms 1 single 5 25 4
-Created 1 atoms
-  Time spent = 0.000144005 secs
-create_atoms 1 single 36.5 6.5 4
-Created 1 atoms
-  Time spent = 0.000144005 secs
-create_atoms 1 single 19.5 24.5 4
-Created 1 atoms
-  Time spent = 0.000236988 secs
-create_atoms 1 single 27 41 4
-Created 1 atoms
-  Time spent = 0.000169992 secs
-create_atoms 1 single 39.5 11.5 4
-Created 1 atoms
-  Time spent = 0.000138998 secs
-create_atoms 1 single 21.5 2.5 4
-Created 1 atoms
-  Time spent = 0.000136852 secs
-create_atoms 1 single 46.5 15.5 4
-Created 1 atoms
-  Time spent = 0.000138998 secs
-create_atoms 1 single 13 24 4
-Created 1 atoms
-  Time spent = 0.000137091 secs
-create_atoms 1 single 11 37 4
-Created 1 atoms
-  Time spent = 0.000144005 secs
-create_atoms 1 single 11.5 31.5 4
-Created 1 atoms
-  Time spent = 0.000144958 secs
-create_atoms 1 single 47 0 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 25.5 17.5 4
-Created 1 atoms
-  Time spent = 0.00014019 secs
-create_atoms 1 single 32 11 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 8 17 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 27.5 12.5 4
-Created 1 atoms
-  Time spent = 0.000137806 secs
-create_atoms 1 single 25 7 4
-Created 1 atoms
-  Time spent = 0.000146151 secs
-create_atoms 1 single 25.5 37.5 4
-Created 1 atoms
-  Time spent = 0.000139952 secs
-create_atoms 1 single 12 15 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 1 7 4
-Created 1 atoms
-  Time spent = 0.000138998 secs
-create_atoms 1 single 18.5 47.5 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 5 38 4
-Created 1 atoms
-  Time spent = 0.000136852 secs
-create_atoms 1 single 42 19 4
-Created 1 atoms
-  Time spent = 0.000149012 secs
-create_atoms 1 single 30.5 7.5 4
-Created 1 atoms
-  Time spent = 0.000138044 secs
-create_atoms 1 single 42.5 7.5 4
-Created 1 atoms
-  Time spent = 0.000138998 secs
-create_atoms 1 single 26.5 18.5 4
-Created 1 atoms
-  Time spent = 0.000153065 secs
-create_atoms 1 single 18.5 1.5 4
-Created 1 atoms
-  Time spent = 0.000137091 secs
-create_atoms 1 single 41.5 10.5 4
-Created 1 atoms
-  Time spent = 0.000140905 secs
-
-# define frozen substrate and mobile atoms
-
-region          base block INF INF INF INF 0 1.8
-set             region base type 2
-  18432 settings made for type
-group           base type 2
-18432 atoms in group base
-group           mobile type 1
-18616 atoms in group mobile
-
-# pair style
-
-pair_style	eam/alloy
-pair_coeff	* * ptvoterlammps.eam Pt Pt
-
-neighbor	0.5 bin
-neigh_modify    every 1 delay 5 check yes
-
-fix		1 mobile nve
-fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
-fix		2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes
-fix		2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes
-fix		2 mobile langevin 400.0 400.0 1.0 826626413 zero yes
-
-timestep	0.005
-
-compute         tmobile mobile temp
-
-thermo		100
-thermo_modify   temp tmobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
-
-# thermal equilibration
-
-run             1000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.07583
-  ghost atom cutoff = 12
-  binsize = 3.03792, bins = 62 62 7
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair eam/alloy, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.359 | 3.359 | 3.36 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -206220.22            0   -206220.22   -52155.664 
-     100    188.18127   -206044.43            0   -205591.63    -25068.83 
-     200    274.34464   -205860.78            0   -205200.66   -40191.797 
-     300    325.66286   -205750.01            0    -204966.4   -31510.222 
-     400    352.48242   -205675.42            0   -204827.28   -35058.064 
-     500    370.88571   -205619.66            0   -204727.25   -32735.022 
-     600    388.62129   -205592.87            0   -204657.78   -33904.556 
-     700    389.54874   -205579.73            0    -204642.4   -32769.852 
-     800    395.56074   -205576.82            0   -204625.03   -33755.948 
-     900    398.03458   -205564.48            0   -204606.74   -32777.103 
-    1000    401.24089   -205562.85            0    -204597.4   -33785.341 
-Loop time of 4.3687 on 16 procs for 1000 steps with 37048 atoms
-
-Performance: 98.885 ns/day, 0.243 hours/ns, 228.901 timesteps/s
-98.4% CPU use with 16 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.2988     | 3.3828     | 3.4667     |   2.3 | 77.43
-Neigh   | 0.20856    | 0.23127    | 0.24382    |   1.9 |  5.29
-Comm    | 0.33313    | 0.45075    | 0.55485    |   9.2 | 10.32
-Output  | 0.00042987 | 0.00044042 | 0.00049591 |   0.0 |  0.01
-Modify  | 0.18811    | 0.28363    | 0.36798    |   9.7 |  6.49
-Other   |            | 0.01983    |            |       |  0.45
-
-Nlocal:    2315.5 ave 2332 max 2297 min
-Histogram: 2 0 0 3 4 0 2 1 2 2
-Nghost:    3186.31 ave 3205 max 3170 min
-Histogram: 2 1 3 0 2 3 2 1 0 2
-Neighs:    55590.9 ave 56174 max 55103 min
-Histogram: 2 2 1 1 4 1 3 0 0 2
-
-Total # of neighbors = 889454
-Ave neighs/atom = 24.0082
-Neighbor list builds = 105
-Dangerous builds = 0
-reset_timestep  0
-
-# pin base so will not move during quenches
-
-fix             freeze base setforce 0.0 0.0 0.0
-
-# event detection
-
-compute         event all event/displace ${cutevent}
-compute         event all event/displace 1.1
-
-# hyper/local
-
-fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 0.3 0.4 ${Tequil}                 ${Dcut} ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 ${Dcut} ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 ${alpha} ${boost}
-fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 ${boost}
-fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 4000.0
-
-# thermo output
-
-thermo_style    custom step temp pe f_HL f_HL[*]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
-
-thermo_modify   lost ignore
-thermo_modify   temp tmobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
-
-thermo          ${nevent}
-thermo          100
-
-# dump
-
-region          substrate block INF INF INF INF 1.8 3.8
-region          adatoms block INF INF INF INF 3.8 INF
-variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
-
-dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
-
-# run
-
-hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
-hyper           1500 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
-hyper           1500 100 HL event min ${tol} ${tol} 1000 1000 dump 1
-hyper           1500 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1
-hyper           1500 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1
-WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.07583
-  ghost atom cutoff = 12
-  binsize = 3.03792, bins = 62 62 7
-  2 neighbor lists, perpetual/occasional/extra = 1 1 0
-  (1) pair eam/alloy, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-  (2) fix hyper/local, occasional
-      attributes: full, newton on, cut 10
-      pair build: full/bin/atomonly
-      stencil: full/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.566 | 7.567 | 7.567 Mbytes
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-       0    401.24089   -205562.85            0            0            0            1            0            0            0            0            0            0            0            0        4e+19            0            0            0            0            0            0            0            0            0            0            0 
-      77    401.24089   -206534.96            0            0            0            1            0            0            0            0            0            0            0            0        4e+19            0            0            0            0            0            0            0         1540            0            0            0 
-Loop time of 0.540347 on 16 procs for 77 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-       0    401.24089   -205562.85    23.271302           74   0.18753621            1    6.0138739    703.62325            0   0.55802338    3.5350432            0            0            0        4e+19    10.115141    10.115141            0            0            0            0            0            0            0            0            0 
-     100    399.15639   -205546.21    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
-Loop time of 0.579085 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     100    399.15639   -205546.21    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
-     184    399.15639   -206534.96    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927    49.934783   0.21714886    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         3680            0            0            0 
-Loop time of 0.556056 on 16 procs for 84 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     100    399.15639   -205546.21    22.903938           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
-     200    403.01717   -205543.17    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
-Loop time of 0.581214 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     200    403.01717   -205543.17    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
-     275    403.01717   -206534.96    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484    66.145455   0.29040418    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         5500            0            0            0 
-Loop time of 0.481812 on 16 procs for 75 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     200    403.01717   -205543.17    21.115577           91    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
-     300    399.01963   -205541.46    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
-Loop time of 0.5757 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     300    399.01963   -205541.46    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
-     377    399.01963   -206534.96    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484    73.225464   0.31760598   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         7540            0            0            0 
-Loop time of 0.514907 on 16 procs for 77 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     300    399.01963   -205541.46    19.137003           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
-     400    398.15351   -205544.87    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
-Loop time of 0.577371 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     400    398.15351   -205544.87    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
-     471    398.15351   -206534.96    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385    78.163482   0.33881076   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         9420            0            0            0 
-Loop time of 0.465473 on 16 procs for 71 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     400    398.15351   -205544.87    20.470689           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
-     500    400.29399   -205544.98    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0907861    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
-Loop time of 0.579188 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     500    400.29399   -205544.98    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0907861    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
-     577    400.29399   -206534.96    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0910651    4.0779385    79.710572    0.3455768   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        11540            0            0            0 
-Loop time of 0.502193 on 16 procs for 77 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     500    400.29399   -205544.98    17.051107           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0910651    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
-     600    400.96099   -205544.56    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
-Loop time of 0.694955 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     600    400.96099   -205544.56    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
-     680    400.96099   -206534.96    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    81.188235   0.35174818   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        13600            0            0            0 
-Loop time of 0.529041 on 16 procs for 80 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     600    400.96099   -205544.56    20.904088           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
-     700    397.78618   -205534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    1.1853748    4.1995704        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            0            0            0 
-Loop time of 0.590093 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     700    397.78618   -205534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    1.2139704    4.1995704        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            0            0            0 
-     790    397.78618   -206534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    2.2107138    4.1995704    81.625316   0.35310868   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        15800            0            0            0 
-Loop time of 0.594281 on 16 procs for 90 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     700    397.78618   -205534.96    20.236364           94   0.51088027   0.39757442    6.0138739    703.62325  0.061146951    2.2107138     4.205089        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            1            2            6 
-     800    399.66919   -205547.44    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.2107138    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            1            2            6 
-Loop time of 0.583824 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     800    399.66919   -205547.44    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.2107138    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            1            2            6 
-     872    399.66919   -206535.54    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.3177682    4.3041291    84.739679   0.36548679   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        17440            1            2            6 
-Loop time of 0.46886 on 16 procs for 72 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     800    399.66919   -205547.44      21.2852           94   0.44964213   0.39739855    6.0138739    703.62325   0.06556778    2.3177682    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            2            4           13 
-     900     401.5853   -205544.22    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
-Loop time of 0.585137 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     900     401.5853   -205544.22    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
-     975     401.5853   -206535.54    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    84.939487   0.36762438   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        19500            2            4           13 
-Loop time of 0.502012 on 16 procs for 75 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-     900     401.5853   -205544.22    19.307938           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
-    1000    395.06218   -205526.35    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
-Loop time of 0.588597 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1000    395.06218   -205526.35    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
-    1083    395.06218   -206535.54    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291    85.421053   0.36763584   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        21660            2            4           13 
-Loop time of 0.543222 on 16 procs for 83 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1000    395.06218   -205526.35    17.514191           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
-    1100    400.04484   -205545.92     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            2            4           13 
-Loop time of 0.590075 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1100    400.04484   -205545.92     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            2            4           13 
-    1177    400.04484   -206535.53     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    86.464741   0.37201529   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        23540            2            4           13 
-Loop time of 0.500839 on 16 procs for 77 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1100    400.04484   -205545.92    19.518413           89     0.429675   0.39705701    6.0137119     703.6043  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            3            6           19 
-    1200     400.7462    -205543.2    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
-Loop time of 0.583971 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1200     400.7462    -205543.2    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
-    1277     400.7462   -206535.53    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    86.806578   0.37396584   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        25540            3            6           19 
-Loop time of 0.509118 on 16 procs for 77 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1200     400.7462    -205543.2    21.169281           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
-    1300    398.53702   -205539.33     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
-Loop time of 0.587306 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1300    398.53702   -205539.33     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
-    1375    398.53702   -206535.53     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    87.455273   0.37616341   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        27500            3            6           19 
-Loop time of 0.483781 on 16 procs for 75 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1300    398.53702   -205539.33     21.35787           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
-    1400    402.80537    -205549.3    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
-Loop time of 0.586411 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1400    402.80537    -205549.3    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
-    1471    402.80537   -206535.53    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    88.193746   0.37856948   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        29420            3            6           19 
-Loop time of 0.473799 on 16 procs for 71 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1400    402.80537    -205549.3    19.481632           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
-    1500     402.0803    -205537.7    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    92.857333   0.39767858   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        30000            3            6           19 
-Loop time of 0.587342 on 16 procs for 100 steps with 37048 atoms
-
-Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
-    1500     402.0803    -205537.7    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    92.857333   0.39767858   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        30000            3            6           19 
-    1574     402.0803   -206535.53    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    88.491741   0.37898213   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        31480            3            6           19 
-Loop time of 0.493982 on 16 procs for 74 steps with 37048 atoms
-
-Final hyper stats ...
-
-Cummulative quantities for fix hyper:
-  hyper time = 30000
-  event timesteps = 3
-  # of atoms in events = 6
-Quantities for this hyper run:
-  event timesteps = 3
-  # of atoms in events = 6
-  max length of any bond = 4.4266
-  max drift distance of any atom = 2.31777
-  fraction of steps & bonds with zero bias = 0.0704091
-Current quantities:
-  ave bonds/atom = 6.01371
-Cummulative quantities specific tofix hyper/local:
-  # of new bonds formed = 19
-  max bonds/atom = 13
-Quantities for this hyper run specific to fix hyper/local:
-  ave boosted bonds/step = 92.8573
-  ave boost coeff of all bonds = 0.397679
-  max boost coeff of any bond = 0.414894
-  min boost coeff of any bond = 0.383728
-  max dist from my box of any non-maxstrain bond ghost atom = 10.333
-  max dist from my box of any bond ghost atom = 10.3858
-  count of ghost bond neighbors not found on reneighbor steps = 0
-  lost bond partners = 0
-  ave bias coeff for lost bond partners = 0
-  bias overlaps = 0
-  non-matching bias coeffs = 0
-  CPU time for bond builds = 0.044807
-Current quantities specific to fix hyper/local:
-  neighbor bonds/bond = 703.604
-  ave boost coeff for all bonds = 0.396356
-
-Loop time of 17.9972 on 16 procs for 1500 steps with 37048 atoms
-
-Performance: 36.006 ns/day, 0.667 hours/ns, 83.346 timesteps/s
-120.7% CPU use with 16 MPI tasks x no OpenMP threads
-
-Hyper stats:
-  Dynamics time (%) = 8.87027 (49.2869)
-  Quench   time (%) = 8.15972 (45.3388)
-  Other    time (%) = 1.2212 (6.78552)
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 11.6       | 11.848     | 12.043     |   3.9 | 65.83
-Neigh   | 0.50025    | 0.52638    | 0.55163    |   2.1 |  2.92
-Comm    | 0.34528    | 0.49905    | 0.66742    |  13.3 |  2.77
-Output  | 0.0021305  | 0.0021461  | 0.0022686  |   0.1 |  0.01
-Modify  | 3.7498     | 3.9009     | 3.9786     |   2.8 | 21.67
-Other   |            | 1.221      |            |       |  6.79
-
-Nlocal:    2315.5 ave 2361 max 2267 min
-Histogram: 1 1 0 4 2 1 3 3 0 1
-Nghost:    3187.88 ave 3236 max 3141 min
-Histogram: 1 0 3 2 2 1 4 1 1 1
-Neighs:    53950.6 ave 54989 max 53049 min
-Histogram: 2 0 3 2 1 2 4 1 0 1
-FullNghs:  542951 ave 554654 max 533224 min
-Histogram: 1 2 3 1 2 2 2 2 0 1
-
-Total # of neighbors = 8687214
-Ave neighs/atom = 234.485
-Neighbor list builds = 165
-Dangerous builds = 0
-Total wall time: 0:00:22
diff --git a/examples/hyper/log.25Mar19.hyper.global.g++.4 b/examples/hyper/log.25Mar19.hyper.global.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..6a066d0d66836bab6e1b0396364f4848d4cc84bf
--- /dev/null
+++ b/examples/hyper/log.25Mar19.hyper.global.g++.4
@@ -0,0 +1,1250 @@
+LAMMPS (28 Feb 2019)
+# 3d EAM surface for global HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 500.0
+variable        Vmax index 0.5
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        cutevent index 1.1
+variable        steps index 100000
+variable        nevent index 1000
+variable        zoom index 1.8
+variable        seed index 826626413
+variable        tol index 1.0e-15
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+
+lattice		fcc 3.92
+Lattice spacing in x,y,z = 3.92 3.92 3.92
+region		box block 0 6 0 6 0 4
+create_box	3 box
+Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
+  2 by 2 by 1 MPI processor grid
+create_atoms	1 box
+Created 576 atoms
+  Time spent = 0.000785828 secs
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f
+  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
+create_atoms    2 single 3.5 3.5 4
+Created 1 atoms
+  Time spent = 5.79357e-05 secs
+
+# define frozen substrate and mobile atoms
+
+group           adatom type 2
+1 atoms in group adatom
+region          base block INF INF INF INF 0 1.8
+set             region base type 3
+  288 settings made for type
+group           base type 3
+288 atoms in group base
+group           mobile type 1 2
+289 atoms in group mobile
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 500.0 ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 500.0 500.0 1.0 ${seed} zero yes
+fix		2 mobile langevin 500.0 500.0 1.0 826626413 zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
+
+# thermal equilibration
+
+run             1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 6.07583
+  binsize = 3.03792, bins = 8 8 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.327 | 3.327 | 3.327 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -3213.9136            0   -3213.9136   -51843.125 
+     100    223.70164   -3209.0653            0   -3200.7375    -26575.84 
+     200    345.18355   -3206.1371            0   -3193.2869   -42327.268 
+     300    411.05681   -3203.8465            0   -3188.5442   -32455.226 
+     400    446.05938   -3202.2976            0   -3185.6922   -35377.683 
+     500    435.52439   -3200.2131            0   -3183.9999   -31477.028 
+     600    474.70282   -3199.4049            0   -3181.7332   -34761.287 
+     700    492.00191   -3201.1592            0   -3182.8435   -33036.989 
+     800    440.88631     -3198.37            0   -3181.9572   -34669.762 
+     900    475.14414   -3198.5845            0   -3180.8964   -31191.883 
+    1000    476.87852   -3197.3442            0   -3179.5914   -33731.074 
+Loop time of 0.339602 on 4 procs for 1000 steps with 577 atoms
+
+Performance: 1272.077 ns/day, 0.019 hours/ns, 2944.623 timesteps/s
+98.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.25294    | 0.26196    | 0.27409    |   1.5 | 77.14
+Neigh   | 0.017554   | 0.018856   | 0.020498   |   0.8 |  5.55
+Comm    | 0.027196   | 0.040838   | 0.050409   |   4.2 | 12.03
+Output  | 0.00025296 | 0.0002721  | 0.00030828 |   0.0 |  0.08
+Modify  | 0.013425   | 0.014212   | 0.014999   |   0.5 |  4.18
+Other   |            | 0.00346    |            |       |  1.02
+
+Nlocal:    144.25 ave 147 max 141 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    527.5 ave 533 max 523 min
+Histogram: 1 0 0 0 2 0 0 0 0 1
+Neighs:    3477.25 ave 3585 max 3399 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+
+Total # of neighbors = 13909
+Ave neighs/atom = 24.1057
+Neighbor list builds = 91
+Dangerous builds = 0
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+compute         event all event/displace 1.1
+
+# hyper/global
+
+fix             HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 0.5 500.0
+
+# thermo output
+
+thermo_style    custom step temp pe f_HG f_HG[*]
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
+
+thermo          ${nevent}
+thermo          1000
+
+# dump output options
+
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
+
+dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
+
+# run
+
+hyper           ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
+hyper           100000 ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
+hyper           100000 1000 HG event min ${tol} ${tol} 1000 1000 dump 1
+hyper           100000 1000 HG event min 1.0e-15 ${tol} 1000 1000 dump 1
+hyper           100000 1000 HG event min 1.0e-15 1.0e-15 1000 1000 dump 1
+WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 6.07583
+  binsize = 3.03792, bins = 8 8 7
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix hyper/global, occasional, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+       0    476.87852   -3197.3442            0            0            0            0            0            0            0            0            0            0            0            0            0 
+      53    476.87852   -3217.9192            0            0            0            0            0            0            0            0            0            0            0            0            0 
+Loop time of 0.0358047 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+       0    476.87852   -3197.3442   0.33187212    2213.7063   0.17396269          129          131    6.0069324            0            0            0    3.3552688            0            0            0 
+    1000    487.34979   -3198.3697   0.19401776    90.283981   0.23468448          543          548    6.0069324        0.165            0            0    3.9974111    6134.6092            0            0 
+Loop time of 0.342707 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    1000    487.34979   -3198.3697   0.19401776    90.283981   0.23468448          543          548    6.0069324        0.165            0            0    3.9974111    6134.6092            0            0 
+    1059    487.34979   -3217.9192   0.19401776    90.283981   0.23468448          543          548    6.0069324   0.15580737            0            0    3.9974111    6134.6092            0            0 
+Loop time of 0.0359111 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    1000    487.34979   -3198.3697   0.19401776    90.283981   0.23468448          543          548    6.0069324        0.165            0            0    3.9974111    6134.6092            0            0 
+    2000    522.93873   -3197.4748    0.1540961    35.745265   0.24952495          120          131    6.0069324       0.1645            0            0    4.0370436    10213.644            0            0 
+Loop time of 0.305975 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    2000    522.93873   -3197.4748    0.1540961    35.745265   0.24952495          120          131    6.0069324       0.1645            0            0    4.0370436    10213.644            0            0 
+    2057    522.93873   -3217.9192    0.1540961    35.745265   0.24952495          120          131    6.0069324   0.15994166            0            0    4.0370436    10213.644            0            0 
+Loop time of 0.0335248 on 4 procs for 57 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    2000    522.93873   -3197.4748    0.1540961    35.745265   0.24952495          120          131    6.0069324       0.1645            0            0    4.0370436    10213.644            0            0 
+    3000     485.3853   -3198.0446  0.081070047     6.563707   0.27460406          120          131    6.0069324        0.145            0            0    4.0370436    13331.739            0            0 
+Loop time of 0.269706 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    3000     485.3853   -3198.0446  0.081070047     6.563707   0.27460406          120          131    6.0069324        0.145            0            0    4.0370436    13331.739            0            0 
+    3059     485.3853   -3217.9192  0.081070047     6.563707   0.27460406          120          131    6.0069324   0.14220333            0            0    4.0370436    13331.739            0            0 
+Loop time of 0.0265908 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    3000     485.3853   -3198.0446  0.081070047     6.563707   0.27460406          120          131    6.0069324        0.145            0            0    4.0370436    13331.739            0            0 
+    4000    522.88476   -3199.0496  0.020170911    1.5970319   0.29388643          548          555    6.0069324      0.17575            0            0    4.0370436    14355.723            0            0 
+Loop time of 0.229504 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    4000    522.88476   -3199.0496  0.020170911    1.5970319   0.29388643          548          555    6.0069324      0.17575            0            0    4.0370436    14355.723            0            0 
+    4060    522.88476   -3217.9192  0.020170911    1.5970319   0.29388643          548          555    6.0069324   0.17315271            0            0    4.0370436    14355.723            0            0 
+Loop time of 0.0280094 on 4 procs for 60 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    4000    522.88476   -3199.0496  0.020170911    1.5970319   0.29388643          548          555    6.0069324      0.17575            0            0    4.0370436    14355.723            0            0 
+    5000    462.24647   -3197.3076   0.11575138    14.679837   0.26299192          130          132    6.0069324       0.1664            0            0    4.0370436    19342.466            0            0 
+Loop time of 0.234847 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    5000    462.24647   -3197.3076   0.11575138    14.679837   0.26299192          130          132    6.0069324       0.1664            0            0    4.0370436    19342.466            0            0 
+    5054    462.24647   -3217.9192   0.11575138    14.679837   0.26299192          130          132    6.0069324   0.16462208            0            0    4.0370436    19342.466            0            0 
+Loop time of 0.026547 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    5000    462.24647   -3197.3076   0.11575138    14.679837   0.26299192          130          132    6.0069324       0.1664            0            0    4.0370436    19342.466            0            0 
+    6000    463.33022   -3196.1897   0.37378421    5855.6457   0.15072771          122          123    6.0069324   0.15583333            0            0    4.0370436    22854.021            0            0 
+Loop time of 0.244725 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    6000    463.33022   -3196.1897   0.37378421    5855.6457   0.15072771          122          123    6.0069324   0.15583333            0            0    4.0370436    22854.021            0            0 
+    6054    463.33022   -3217.9192   0.37378421    5855.6457   0.15072771          122          123    6.0069324   0.15444334            0            0    4.0370436    22854.021            0            0 
+Loop time of 0.0267512 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    6000    463.33022   -3196.1897   0.37378421    5855.6457   0.15072771          122          123    6.0069324   0.15583333            0            0    4.0370436    22854.021            0            0 
+    7000    496.34089   -3198.1795   0.29031005    843.70994   0.19427864          547          552    6.0069324   0.14885714            0            0    4.1079381    27854.511            0            0 
+Loop time of 0.229727 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    7000    496.34089   -3198.1795   0.29031005    843.70994   0.19427864          547          552    6.0069324   0.14885714            0            0    4.1079381    27854.511            0            0 
+    7055    496.34089   -3217.9192   0.29031005    843.70994   0.19427864          547          552    6.0069324   0.14769667            0            0    4.1079381    27854.511            0            0 
+Loop time of 0.0260235 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    7000    496.34089   -3198.1795   0.29031005    843.70994   0.19427864          547          552    6.0069324   0.14885714            0            0    4.1079381    27854.511            0            0 
+    8000    468.63017   -3197.6685            0            1   0.31412476          275          556    6.0069324      0.14075      0.00175            0    4.1079381    31930.231            0            0 
+Loop time of 0.230083 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    8000    468.63017   -3197.6685            0            1   0.31412476          275          556    6.0069324      0.14075      0.00175            0    4.1079381    31930.231            0            0 
+    8056    468.63017   -3217.9192            0            1   0.31412476          275          556    6.0069324    0.1397716 0.0017378352            0    4.1079381    31930.231            0            0 
+Loop time of 0.0261552 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    8000    468.63017   -3197.6685            0            1   0.31412476          275          556    6.0069324      0.14075      0.00175            0    4.1079381    31930.231            0            0 
+    9000    467.53307   -3198.3982            0            1    0.3075376          543          544    6.0069324   0.14888889 0.0015555556            0    4.1079381    35292.432            0            0 
+Loop time of 0.22948 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    9000    467.53307   -3198.3982            0            1    0.3075376          543          544    6.0069324   0.14888889 0.0015555556            0    4.1079381    35292.432            0            0 
+    9051    467.53307   -3217.9192            0            1    0.3075376          543          544    6.0069324   0.14804994 0.0015467904            0    4.1079381    35292.432            0            0 
+Loop time of 0.0240657 on 4 procs for 51 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+    9000    467.53307   -3198.3982            0            1    0.3075376          543          544    6.0069324   0.14888889 0.0015555556            0    4.1079381    35292.432            0            0 
+   10000    496.73768   -3197.9106   0.11921512    15.908682   0.26180389          543          548    6.0069324       0.1531       0.0014            0    4.1079381    40303.236            0            0 
+Loop time of 0.237951 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   10000    496.73768   -3197.9106   0.11921512    15.908682   0.26180389          543          548    6.0069324       0.1531       0.0014            0    4.1079381    40303.236            0            0 
+   10061    496.73768   -3217.9192   0.11921512    15.908682   0.26180389          543          548    6.0069324   0.15217175 0.0013915118            0    4.1079381    40303.236            0            0 
+Loop time of 0.0275102 on 4 procs for 61 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   10000    496.73768   -3197.9106   0.11921512    15.908682   0.26180389          543          548    6.0069324       0.1531       0.0014            0    4.1079381    40303.236            0            0 
+   11000    526.76049   -3199.3263   0.24399827    287.99939   0.21466325          408          419    6.0069324   0.15945455 0.0012727273            0    4.1079381    42710.668            0            0 
+Loop time of 0.226262 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   11000    526.76049   -3199.3263   0.24399827    287.99939   0.21466325          408          419    6.0069324   0.15945455 0.0012727273            0    4.1079381    42710.668            0            0 
+   11058    526.76049   -3217.9192   0.24399827    287.99939   0.21466325          408          419    6.0069324   0.15861819 0.0012660517            0    4.1079381    42710.668            0            0 
+Loop time of 0.0257103 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   11000    526.76049   -3199.3263   0.24399827    287.99939   0.21466325          408          419    6.0069324   0.15945455 0.0012727273            0    4.1079381    42710.668            0            0 
+   12000    488.24107   -3198.2441   0.34073209    2719.0951   0.16931693          409          400    6.0069324   0.15558333 0.0011666667            0    4.1079381    47154.117            0            0 
+Loop time of 0.226415 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   12000    488.24107   -3198.2441   0.34073209    2719.0951   0.16931693          409          400    6.0069324   0.15558333 0.0011666667            0    4.1079381    47154.117            0            0 
+   12053    488.24107   -3217.9192   0.34073209    2719.0951   0.16931693          409          400    6.0069324    0.1548992 0.0011615365            0    4.1079381    47154.117            0            0 
+Loop time of 0.0232868 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   12000    488.24107   -3198.2441   0.34073209    2719.0951   0.16931693          409          400    6.0069324   0.15558333 0.0011666667            0    4.1079381    47154.117            0            0 
+   13000    467.87203   -3197.0681            0            1   0.32542353          275          556    6.0069324   0.14869231 0.0015384615            0    4.1079381    54700.864            0            0 
+Loop time of 0.234386 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   13000    467.87203   -3197.0681            0            1   0.32542353          275          556    6.0069324   0.14869231 0.0015384615            0    4.1079381    54700.864            0            0 
+   13055    467.87203   -3217.9192            0            1   0.32542353          275          556    6.0069324   0.14806588 0.0015319801            0    4.1079381    54700.864            0            0 
+Loop time of 0.0268174 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   13000    467.87203   -3197.0681            0            1   0.32542353          275          556    6.0069324   0.14869231 0.0015384615            0    4.1079381    54700.864            0            0 
+   14000    494.97859   -3197.9767  0.061678009    4.1849114    0.2808878          544          555    6.0069324   0.16885714 0.0014285714            0    4.1079381    55284.212            0            0 
+Loop time of 0.236772 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   14000    494.97859   -3197.9767  0.061678009    4.1849114    0.2808878          544          555    6.0069324   0.16885714 0.0014285714            0    4.1079381    55284.212            0            0 
+   14059    494.97859   -3217.9192  0.061678009    4.1849114    0.2808878          544          555    6.0069324   0.16814852 0.0014225763            0    4.1079381    55284.212            0            0 
+Loop time of 0.0262685 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   14000    494.97859   -3197.9767  0.061678009    4.1849114    0.2808878          544          555    6.0069324   0.16885714 0.0014285714            0    4.1079381    55284.212            0            0 
+   15000    487.47593   -3196.3193            0            1   0.30681413          124          135    6.0069324   0.16526667 0.0013333333            0    4.1079381    58845.637            0            0 
+Loop time of 0.228132 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   15000    487.47593   -3196.3193            0            1   0.30681413          124          135    6.0069324   0.16526667 0.0013333333            0    4.1079381    58845.637            0            0 
+   15056    487.47593   -3217.9192            0            1   0.30681413          124          135    6.0069324   0.16465197 0.0013283741            0    4.1079381    58845.637            0            0 
+Loop time of 0.0253892 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   15000    487.47593   -3196.3193            0            1   0.30681413          124          135    6.0069324   0.16526667 0.0013333333            0    4.1079381    58845.637            0            0 
+   16000    514.29619   -3198.6976   0.15192442    33.988268   0.25030702          287          568    6.0069324     0.160375      0.00125            0    4.1079381    65959.225            0            0 
+Loop time of 0.226636 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   16000    514.29619   -3198.6976   0.15192442    33.988268   0.25030702          287          568    6.0069324     0.160375      0.00125            0    4.1079381    65959.225            0            0 
+   16057    514.29619   -3217.9192   0.15192442    33.988268   0.25030702          287          568    6.0069324   0.15980569 0.0012455627            0    4.1079381    65959.225            0            0 
+Loop time of 0.0258105 on 4 procs for 57 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   16000    514.29619   -3198.6976   0.15192442    33.988268   0.25030702          287          568    6.0069324     0.160375      0.00125            0    4.1079381    65959.225            0            0 
+   17000    518.58789   -3197.5021    0.1333678    22.094631   0.25689258          116          123    6.0069324   0.16088235 0.0011764706            0    4.1079381    70525.413            0            0 
+Loop time of 0.233751 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   17000    518.58789   -3197.5021    0.1333678    22.094631   0.25689258          116          123    6.0069324   0.16088235 0.0011764706            0    4.1079381    70525.413            0            0 
+   17052    518.58789   -3217.9192    0.1333678    22.094631   0.25689258          116          123    6.0069324   0.16039174 0.0011728829            0    4.1079381    70525.413            0            0 
+Loop time of 0.0248473 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   17000    518.58789   -3197.5021    0.1333678    22.094631   0.25689258          116          123    6.0069324   0.16088235 0.0011764706            0    4.1079381    70525.413            0            0 
+   18000    505.83228   -3198.9838   0.08205079    6.7148239   0.27428244          552          563    6.0069324   0.15644444 0.0011111111            0    4.1079381    73252.823            0            0 
+Loop time of 0.240134 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   18000    505.83228   -3198.9838   0.08205079    6.7148239   0.27428244          552          563    6.0069324   0.15644444 0.0011111111            0    4.1079381    73252.823            0            0 
+   18056    505.83228   -3217.9192   0.08205079    6.7148239   0.27428244          552          563    6.0069324   0.15595924  0.001107665            0    4.1079381    73252.823            0            0 
+Loop time of 0.0243995 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   18000    505.83228   -3198.9838   0.08205079    6.7148239   0.27428244          552          563    6.0069324   0.15644444 0.0011111111            0    4.1079381    73252.823            0            0 
+   19000    527.41862   -3198.5008  0.040305357    2.5483534   0.28765437          424          263    6.0069324   0.15589474 0.0010526316            0    4.1079381     75984.28            0            0 
+Loop time of 0.22821 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   19000    527.41862   -3198.5008  0.040305357    2.5483534   0.28765437          424          263    6.0069324   0.15589474 0.0010526316            0    4.1079381     75984.28            0            0 
+   19052    527.41862   -3217.9192  0.040305357    2.5483534   0.28765437          424          263    6.0069324   0.15546924 0.0010497586            0    4.1079381     75984.28            0            0 
+Loop time of 0.0237539 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   19000    527.41862   -3198.5008  0.040305357    2.5483534   0.28765437          424          263    6.0069324   0.15589474 0.0010526316            0    4.1079381     75984.28            0            0 
+   20000    451.64207   -3198.7796  0.047092391    2.9831142   0.28552298          570          403    6.0069324      0.15125        0.001            0    4.1079381    81688.471            0            0 
+Loop time of 0.226179 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   20000    451.64207   -3198.7796  0.047092391    2.9831142   0.28552298          570          403    6.0069324      0.15125        0.001            0    4.1079381    81688.471            0            0 
+   20053    451.64207   -3217.9192  0.047092391    2.9831142   0.28552298          570          403    6.0069324   0.15085025  0.000997357            0    4.1079381    81688.471            0            0 
+Loop time of 0.0244102 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   20000    451.64207   -3198.7796  0.047092391    2.9831142   0.28552298          570          403    6.0069324      0.15125        0.001            0    4.1079381    81688.471            0            0 
+   21000    469.69339   -3200.6427            0            1    0.3308786          267          268    6.0069324   0.14852381 0.00095238095            0    4.1079381    87660.496            0            0 
+Loop time of 0.234504 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   21000    469.69339   -3200.6427            0            1    0.3308786          267          268    6.0069324   0.14852381 0.00095238095            0    4.1079381    87660.496            0            0 
+   21050    469.69339   -3217.9192            0            1    0.3308786          267          268    6.0069324   0.14817102 0.00095011876            0    4.1079381    87660.496            0            0 
+Loop time of 0.0231035 on 4 procs for 50 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   21000    469.69339   -3200.6427            0            1    0.3308786          267          268    6.0069324   0.14852381 0.00095238095            0    4.1079381    87660.496            0            0 
+   22000    473.26326   -3199.3284            0            1   0.31249141          544          555    6.0069324   0.14786364 0.00090909091            0    4.1079381    91920.285            0            0 
+Loop time of 0.235723 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   22000    473.26326   -3199.3284            0            1   0.31249141          544          555    6.0069324   0.14786364 0.00090909091            0    4.1079381    91920.285            0            0 
+   22054    473.26326   -3217.9192            0            1   0.31249141          544          555    6.0069324   0.14750159 0.00090686497            0    4.1079381    91920.285            0            0 
+Loop time of 0.024776 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   22000    473.26326   -3199.3284            0            1   0.31249141          544          555    6.0069324   0.14786364 0.00090909091            0    4.1079381    91920.285            0            0 
+   23000    496.07543   -3198.2605   0.30577111    1207.9075   0.18697914          572          403    6.0069324   0.15665217 0.0011304348            0    4.1079381    92558.536            0            0 
+Loop time of 0.229916 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   23000    496.07543   -3198.2605   0.30577111    1207.9075   0.18697914          572          403    6.0069324   0.15665217 0.0011304348            0    4.1079381    92558.536            0            0 
+   23056    496.07543   -3217.9192   0.30577111    1207.9075   0.18697914          572          403    6.0069324   0.15627169 0.0011276891            0    4.1079381    92558.536            0            0 
+Loop time of 0.0252325 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   23000    496.07543   -3198.2605   0.30577111    1207.9075   0.18697914          572          403    6.0069324   0.15665217 0.0011304348            0    4.1079381    92558.536            0            0 
+   24000    465.43821    -3199.468            0            1   0.31415739          543          544    6.0069324   0.15466667 0.0010833333            0    4.1079381    97530.178            0            0 
+Loop time of 0.231022 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   24000    465.43821    -3199.468            0            1   0.31415739          543          544    6.0069324   0.15466667 0.0010833333            0    4.1079381    97530.178            0            0 
+   24054    465.43821   -3217.9192            0            1   0.31415739          543          544    6.0069324   0.15431945 0.0010809013            0    4.1079381    97530.178            0            0 
+Loop time of 0.0246248 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   24000    465.43821    -3199.468            0            1   0.31415739          543          544    6.0069324   0.15466667 0.0010833333            0    4.1079381    97530.178            0            0 
+   25000    489.80528    -3200.439   0.25812453    399.74019   0.20865662          543          544    6.0069324      0.15368      0.00104            0    4.1079381    103216.01            0            0 
+Loop time of 0.239562 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   25000    489.80528    -3200.439   0.25812453    399.74019   0.20865662          543          544    6.0069324      0.15368      0.00104            0    4.1079381    103216.01            0            0 
+   25060    489.80528   -3217.9192   0.25812453    399.74019   0.20865662          543          544    6.0069324   0.15331205   0.00103751            0    4.1079381    103216.01            0            0 
+Loop time of 0.0290521 on 4 procs for 60 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   25000    489.80528    -3200.439   0.25812453    399.74019   0.20865662          543          544    6.0069324      0.15368      0.00104            0    4.1079381    103216.01            0            0 
+   26000    454.33199   -3197.9264   0.15449017    36.073692   0.24938278          283          272    6.0069324   0.15788462        0.001            0    4.1079381    106857.47            0            0 
+Loop time of 0.231679 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   26000    454.33199   -3197.9264   0.15449017    36.073692   0.24938278          283          272    6.0069324   0.15788462        0.001            0    4.1079381    106857.47            0            0 
+   26053    454.33199   -3217.9192   0.15449017    36.073692   0.24938278          283          272    6.0069324   0.15756343 0.00099796569            0    4.1079381    106857.47            0            0 
+Loop time of 0.0229361 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   26000    454.33199   -3197.9264   0.15449017    36.073692   0.24938278          283          272    6.0069324   0.15788462        0.001            0    4.1079381    106857.47            0            0 
+   27000    493.26662   -3198.8515   0.17523126    58.378293   0.24178166          260          271    6.0069324   0.15388889 0.00096296296            0    4.1079381     114287.4            0            0 
+Loop time of 0.228356 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   27000    493.26662   -3198.8515   0.17523126    58.378293   0.24178166          260          271    6.0069324   0.15388889 0.00096296296            0    4.1079381     114287.4            0            0 
+   27056    493.26662   -3217.9192   0.17523126    58.378293   0.24178166          260          271    6.0069324   0.15357037 0.00096096984            0    4.1079381     114287.4            0            0 
+Loop time of 0.0249045 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   27000    493.26662   -3198.8515   0.17523126    58.378293   0.24178166          260          271    6.0069324   0.15388889 0.00096296296            0    4.1079381     114287.4            0            0 
+   28000    516.59709   -3198.7939  0.017083929     1.486614   0.29483028          543          548    6.0069324   0.15278571 0.00092857143            0    4.1079381    117735.24            0            0 
+Loop time of 0.226666 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   28000    516.59709   -3198.7939  0.017083929     1.486614   0.29483028          543          548    6.0069324   0.15278571 0.00092857143            0    4.1079381    117735.24            0            0 
+   28054    516.59709   -3217.9192  0.017083929     1.486614   0.29483028          543          548    6.0069324   0.15249162 0.00092678406            0    4.1079381    117735.24            0            0 
+Loop time of 0.0245788 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   28000    516.59709   -3198.7939  0.017083929     1.486614   0.29483028          543          548    6.0069324   0.15278571 0.00092857143            0    4.1079381    117735.24            0            0 
+   29000    498.78313   -3197.7551            0            1   0.43523955          543          544    6.0069324   0.15648276 0.00089655172            0    4.3557073    122569.32            0            0 
+Loop time of 0.239195 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   29000    498.78313   -3197.7551            0            1   0.43523955          543          544    6.0069324   0.15648276 0.00089655172            0    4.3557073    122569.32            0            0 
+   29059    498.78313   -3217.9192            0            1   0.43523955          543          544    6.0069324   0.15616504 0.00089473141            0    4.3557073    122569.32            0            0 
+Loop time of 0.0290976 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   29000    498.78313   -3197.7551            0            1   0.43523955          543          544    6.0069324   0.15648276 0.00089655172            0    4.3557073    122569.32            0            0 
+   30000    466.86137   -3199.5233   0.23621441    240.39961   0.21790229          126          127    6.0069324   0.15756667 0.00086666667            0    4.3557073    127229.34            0            0 
+Loop time of 0.232616 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   30000    466.86137   -3199.5233   0.23621441    240.39961   0.21790229          126          127    6.0069324   0.15756667 0.00086666667            0    4.3557073    127229.34            0            0 
+   30059    466.86137   -3217.9192   0.23621441    240.39961   0.21790229          126          127    6.0069324   0.15725739 0.00086496557            0    4.3557073    127229.34            0            0 
+Loop time of 0.0269623 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   30000    466.86137   -3199.5233   0.23621441    240.39961   0.21790229          126          127    6.0069324   0.15756667 0.00086666667            0    4.3557073    127229.34            0            0 
+   31000    471.12992   -3199.7598            0            1   0.30984418          567          572    6.0069324   0.15541935 0.00087096774            0    4.3557073     131258.9            0            0 
+Loop time of 0.229214 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   31000    471.12992   -3199.7598            0            1   0.30984418          567          572    6.0069324   0.15541935 0.00087096774            0    4.3557073     131258.9            0            0 
+   31053    471.12992   -3217.9192            0            1   0.30984418          567          572    6.0069324   0.15515409 0.00086948121            0    4.3557073     131258.9            0            0 
+Loop time of 0.0240388 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   31000    471.12992   -3199.7598            0            1   0.30984418          567          572    6.0069324   0.15541935 0.00087096774            0    4.3557073     131258.9            0            0 
+   32000     510.4372   -3198.4263   0.38770138    8088.2308   0.14217507          511          546    6.0069324   0.15328125   0.00084375            0    4.3557073    136077.46            0            0 
+Loop time of 0.230157 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   32000     510.4372   -3198.4263   0.38770138    8088.2308   0.14217507          511          546    6.0069324   0.15328125   0.00084375            0    4.3557073    136077.46            0            0 
+   32057     510.4372   -3217.9192   0.38770138    8088.2308   0.14217507          511          546    6.0069324    0.1530087 0.00084224974            0    4.3557073    136077.46            0            0 
+Loop time of 0.0259738 on 4 procs for 57 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   32000     510.4372   -3198.4263   0.38770138    8088.2308   0.14217507          511          546    6.0069324   0.15328125   0.00084375            0    4.3557073    136077.46            0            0 
+   33000     517.9664   -3198.8477  0.065094278    4.5302347   0.27979105          136          255    6.0069324   0.15212121 0.00081818182            0    4.3557073    140653.16            0            0 
+Loop time of 0.240719 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   33000     517.9664   -3198.8477  0.065094278    4.5302347   0.27979105          136          255    6.0069324   0.15212121 0.00081818182            0    4.3557073    140653.16            0            0 
+   33055     517.9664   -3217.9192  0.065094278    4.5302347   0.27979105          136          255    6.0069324    0.1518681 0.00081682045            0    4.3557073    140653.16            0            0 
+Loop time of 0.0254009 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   33000     517.9664   -3198.8477  0.065094278    4.5302347   0.27979105          136          255    6.0069324   0.15212121 0.00081818182            0    4.3557073    140653.16            0            0 
+   34000    539.21923   -3197.9619   0.10137745    10.515709   0.26786575          119          400    6.0069324   0.15088235 0.00079411765            0    4.3557073    146106.36            0            0 
+Loop time of 0.228472 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   34000    539.21923   -3197.9619   0.10137745    10.515709   0.26786575          119          400    6.0069324   0.15088235 0.00079411765            0    4.3557073    146106.36            0            0 
+   34053    539.21923   -3217.9192   0.10137745    10.515709   0.26786575          119          400    6.0069324   0.15064752 0.00079288168            0    4.3557073    146106.36            0            0 
+Loop time of 0.0239374 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   34000    539.21923   -3197.9619   0.10137745    10.515709   0.26786575          119          400    6.0069324   0.15088235 0.00079411765            0    4.3557073    146106.36            0            0 
+   35000    495.28481   -3198.2101   0.03728079    2.3756005   0.28859913          543          544    6.0069324   0.14882857 0.00077142857            0    4.3557073    152132.21            0            0 
+Loop time of 0.227014 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   35000    495.28481   -3198.2101   0.03728079    2.3756005   0.28859913          543          544    6.0069324   0.14882857 0.00077142857            0    4.3557073    152132.21            0            0 
+   35061    495.28481   -3217.9192   0.03728079    2.3756005   0.28859913          543          544    6.0069324   0.14856964 0.00077008642            0    4.3557073    152132.21            0            0 
+Loop time of 0.0271087 on 4 procs for 61 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   35000    495.28481   -3198.2101   0.03728079    2.3756005   0.28859913          543          544    6.0069324   0.14882857 0.00077142857            0    4.3557073    152132.21            0            0 
+   36000    522.02047   -3197.5464  0.023049198    1.7073613   0.29300366          132          139    6.0069324      0.14975      0.00075            0    4.3557073    155779.35            0            0 
+Loop time of 0.230395 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   36000    522.02047   -3197.5464  0.023049198    1.7073613   0.29300366          132          139    6.0069324      0.14975      0.00075            0    4.3557073    155779.35            0            0 
+   36058    522.02047   -3217.9192  0.023049198    1.7073613   0.29300366          132          139    6.0069324   0.14950912 0.00074879361            0    4.3557073    155779.35            0            0 
+Loop time of 0.0274341 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   36000    522.02047   -3197.5464  0.023049198    1.7073613   0.29300366          132          139    6.0069324      0.14975      0.00075            0    4.3557073    155779.35            0            0 
+   37000    493.66881   -3198.2972   0.29065621    850.51576   0.19411822          110          121    6.0069324   0.14783784 0.00072972973            0    4.3557073     159446.9            0            0 
+Loop time of 0.239665 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   37000    493.66881   -3198.2972   0.29065621    850.51576   0.19411822          110          121    6.0069324   0.14783784 0.00072972973            0    4.3557073     159446.9            0            0 
+   37055    493.66881   -3217.9192   0.29065621    850.51576   0.19411822          110          121    6.0069324   0.14761841 0.00072864661            0    4.3557073     159446.9            0            0 
+Loop time of 0.0258739 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   37000    493.66881   -3198.2972   0.29065621    850.51576   0.19411822          110          121    6.0069324   0.14783784 0.00072972973            0    4.3557073     159446.9            0            0 
+   38000    471.56021   -3200.0689   0.21390468    143.23918   0.22692985          546          559    6.0069324       0.1505 0.00071052632            0    4.3557073    161793.64            0            0 
+Loop time of 0.231827 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   38000    471.56021   -3200.0689   0.21390468    143.23918   0.22692985          546          559    6.0069324       0.1505 0.00071052632            0    4.3557073    161793.64            0            0 
+   38050    471.56021   -3217.9192   0.21390468    143.23918   0.22692985          546          559    6.0069324   0.15030223 0.00070959264            0    4.3557073    161793.64            0            0 
+Loop time of 0.0234141 on 4 procs for 50 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   38000    471.56021   -3200.0689   0.21390468    143.23918   0.22692985          546          559    6.0069324       0.1505 0.00071052632            0    4.3557073    161793.64            0            0 
+   39000    488.60708   -3198.2279   0.29546108    950.85261   0.19187758          410          412    6.0069324   0.14884615 0.00069230769            0    4.3557073    167145.63            0            0 
+Loop time of 0.227483 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   39000    488.60708   -3198.2279   0.29546108    950.85261   0.19187758          410          412    6.0069324   0.14884615 0.00069230769            0    4.3557073    167145.63            0            0 
+   39062    488.60708   -3217.9192   0.29546108    950.85261   0.19187758          410          412    6.0069324    0.1486099 0.00069120885            0    4.3557073    167145.63            0            0 
+Loop time of 0.028059 on 4 procs for 62 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   39000    488.60708   -3198.2279   0.29546108    950.85261   0.19187758          410          412    6.0069324   0.14884615 0.00069230769            0    4.3557073    167145.63            0            0 
+   40000    507.73002   -3196.8491  0.012490865    1.3362947   0.29622904          543          544    6.0069324      0.15095     0.000675            0    4.3557073    171194.28            0            0 
+Loop time of 0.231293 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   40000    507.73002   -3196.8491  0.012490865    1.3362947   0.29622904          543          544    6.0069324      0.15095     0.000675            0    4.3557073    171194.28            0            0 
+   40064    507.73002   -3217.9192  0.012490865    1.3362947   0.29622904          543          544    6.0069324   0.15070887 0.00067392173            0    4.3557073    171194.28            0            0 
+Loop time of 0.0308156 on 4 procs for 64 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   40000    507.73002   -3196.8491  0.012490865    1.3362947   0.29622904          543          544    6.0069324      0.15095     0.000675            0    4.3557073    171194.28            0            0 
+   41000    479.11448    -3200.241            0            1   0.94094448          542          544    6.0069324   0.16480488 0.00065853659            0    5.4178316    171224.32            0            0 
+Loop time of 0.239781 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   41000    479.11448    -3200.241            0            1   0.94094448          542          544    6.0069324   0.16480488 0.00065853659            0    5.4178316    171224.32            0            0 
+   41055    479.11448   -3217.9192            0            1   0.94094448          542          544    6.0069324   0.16458409 0.00065765437            0    5.4178316    171224.32            0            0 
+Loop time of 0.0248787 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   41000    479.11448    -3200.241   0.31626598    1541.0515   0.18185743          398          404    6.0069324   0.16480488 0.00065853659    2.3326665    5.4178316    171224.32            1            2 
+   42000    495.84675   -3198.6432    0.1729929    55.422961   0.24261343          275          264    6.0069324    0.1692381 0.0011190476    2.3326665    5.4178316    174484.67            1            2 
+Loop time of 0.226913 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   42000    495.84675   -3198.6432    0.1729929    55.422961   0.24261343          275          264    6.0069324    0.1692381 0.0011190476    2.3326665    5.4178316    174484.67            1            2 
+   42056    495.84675   -3217.9192    0.1729929    55.422961   0.24261343          275          264    6.0069324   0.16901274 0.0011175575    2.3326665    5.4178316    174484.67            1            2 
+Loop time of 0.0239749 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   42000    495.84675   -3198.6432    0.1729929    55.422961   0.24261343          275          264    6.0069324    0.1692381 0.0011190476    2.3326665    5.4178316    174484.67            1            2 
+   43000    533.30453   -3198.6415            0            1   0.34377427          263          577    6.0069324   0.17646512 0.0010930233    2.3326665    5.4178316    175038.14            1            2 
+Loop time of 0.224798 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   43000    533.30453   -3198.6415            0            1   0.34377427          263          577    6.0069324   0.17646512 0.0010930233    2.3326665    5.4178316    175038.14            1            2 
+   43054    533.30453   -3217.9192            0            1   0.34377427          263          577    6.0069324   0.17624379 0.0010916523    2.3326665    5.4178316    175038.14            1            2 
+Loop time of 0.0243425 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   43000    533.30453   -3198.6415            0            1   0.34377427          263          577    6.0069324   0.17646512 0.0010930233    2.3326665    5.4178316    175038.14            1            2 
+   44000    497.19886   -3199.3252            0            1   0.32411085          262          264    6.0069324   0.17947727 0.0010681818    2.3326665    5.4178316    175732.69            1            2 
+Loop time of 0.23413 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   44000    497.19886   -3199.3252            0            1   0.32411085          262          264    6.0069324   0.17947727 0.0010681818    2.3326665    5.4178316    175732.69            1            2 
+   44056    497.19886   -3217.9192            0            1   0.32411085          262          264    6.0069324   0.17924914  0.001066824    2.3326665    5.4178316    175732.69            1            2 
+Loop time of 0.0264681 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   44000    497.19886   -3199.3252            0            1   0.32411085          262          264    6.0069324   0.17947727 0.0010681818    2.3326665    5.4178316    175732.69            1            2 
+   45000    501.66497   -3198.3133            0            1   0.89133337          262          264    6.0069324   0.18806667 0.0010444444    2.3326665    5.4178316    175885.32            1            2 
+Loop time of 0.233324 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   45000    501.66497   -3198.3133            0            1   0.89133337          262          264    6.0069324   0.18806667 0.0010444444    2.3326665    5.4178316    175885.32            1            2 
+   45053    501.66497   -3217.9192            0            1   0.89133337          262          264    6.0069324   0.18784543 0.0010432158    2.3326665    5.4178316    175885.32            1            2 
+Loop time of 0.0239007 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   45000    501.66497   -3198.3133   0.31380779    1455.5922   0.18306993          549          547    6.0069324   0.18806667 0.0010444444     2.332667    5.4178316    175885.32            2            4 
+   46000    512.99827   -3198.7869   0.30973921    1324.4339   0.18505929          547          552    6.0069324   0.18545652 0.0010217391     2.332667    5.4178316    180703.66            2            4 
+Loop time of 0.227399 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   46000    512.99827   -3198.7869   0.30973921    1324.4339   0.18505929          547          552    6.0069324   0.18545652 0.0010217391     2.332667    5.4178316    180703.66            2            4 
+   46058    512.99827   -3217.9192   0.30973921    1324.4339   0.18505929          547          552    6.0069324   0.18522298 0.0010204525     2.332667    5.4178316    180703.66            2            4 
+Loop time of 0.025696 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   46000    512.99827   -3198.7869   0.30973921    1324.4339   0.18505929          547          552    6.0069324   0.18545652 0.0010217391     2.332667    5.4178316    180703.66            2            4 
+   47000    508.06284   -3198.0819   0.17828926     62.67216   0.24064067          271          544    6.0069324   0.18404255        0.001     2.332667    5.4178316    186245.92            2            4 
+Loop time of 0.232521 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   47000    508.06284   -3198.0819   0.17828926     62.67216   0.24064067          271          544    6.0069324   0.18404255        0.001     2.332667    5.4178316    186245.92            2            4 
+   47062    508.06284   -3217.9192   0.17828926     62.67216   0.24064067          271          544    6.0069324   0.18380009 0.00099868259     2.332667    5.4178316    186245.92            2            4 
+Loop time of 0.0288792 on 4 procs for 62 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   47000    508.06284   -3198.0819   0.17828926     62.67216   0.24064067          271          544    6.0069324   0.18404255        0.001     2.332667    5.4178316    186245.92            2            4 
+   48000    512.83356   -3200.0643            0            1   0.96810224          258          544    6.0069324    0.1921875 0.00097916667     2.332667    5.5485401    188226.87            2            4 
+Loop time of 0.241704 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   48000    512.83356   -3200.0643            0            1   0.96810224          258          544    6.0069324    0.1921875 0.00097916667     2.332667    5.5485401    188226.87            2            4 
+   48051    512.83356   -3217.9192            0            1   0.96810224          258          544    6.0069324   0.19198352 0.00097812741     2.332667    5.5485401    188226.87            2            4 
+Loop time of 0.0259903 on 4 procs for 51 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   48000    512.83356   -3200.0643   0.36239559    4495.5483   0.15738105          280          407    6.0069324    0.1921875 0.00097916667     2.332667    5.5485401    188226.87            3            6 
+   49000     490.9639   -3198.6936   0.21113624    134.32512   0.22802517          114          115    6.0069324   0.18993878 0.00095918367     2.332667    5.5485401     191519.1            3            6 
+Loop time of 0.22826 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   49000     490.9639   -3198.6936   0.21113624    134.32512   0.22802517          114          115    6.0069324   0.18993878 0.00095918367     2.332667    5.5485401     191519.1            3            6 
+   49054     490.9639   -3217.9192   0.21113624    134.32512   0.22802517          114          115    6.0069324   0.18972969 0.00095812778     2.332667    5.5485401     191519.1            3            6 
+Loop time of 0.024157 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   49000     490.9639   -3198.6936   0.21113624    134.32512   0.22802517          114          115    6.0069324   0.18993878 0.00095918367     2.332667    5.5485401     191519.1            3            6 
+   50000    502.62206   -3199.7905   0.22799901    198.66723   0.22126947          119          400    6.0069324       0.1885      0.00094     2.332667    5.5485401    195910.67            3            6 
+Loop time of 0.226578 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   50000    502.62206   -3199.7905   0.22799901    198.66723   0.22126947          119          400    6.0069324       0.1885      0.00094     2.332667    5.5485401    195910.67            3            6 
+   50059    502.62206   -3217.9192   0.22799901    198.66723   0.22126947          119          400    6.0069324   0.18827783 0.00093889211     2.332667    5.5485401    195910.67            3            6 
+Loop time of 0.0268276 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   50000    502.62206   -3199.7905   0.22799901    198.66723   0.22126947          119          400    6.0069324       0.1885      0.00094     2.332667    5.5485401    195910.67            3            6 
+   51000    508.29336   -3198.9059   0.14109933    26.437299   0.25416947          264          275    6.0069324   0.18907843 0.00092156863     2.332667    5.5485401    199067.94            3            6 
+Loop time of 0.23022 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   51000    508.29336   -3198.9059   0.14109933    26.437299   0.25416947          264          275    6.0069324   0.18907843 0.00092156863     2.332667    5.5485401    199067.94            3            6 
+   51055    508.29336   -3217.9192   0.14109933    26.437299   0.25416947          264          275    6.0069324   0.18887474 0.00092057585     2.332667    5.5485401    199067.94            3            6 
+Loop time of 0.0267057 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   51000    508.29336   -3198.9059   0.14109933    26.437299   0.25416947          264          275    6.0069324   0.18907843 0.00092156863     2.332667    5.5485401    199067.94            3            6 
+   52000    506.84322   -3198.7391            0            1   0.35895473          264          275    6.0069324   0.19369231 0.00090384615     2.332667    5.5485401    199119.85            3            6 
+Loop time of 0.248939 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   52000    506.84322   -3198.7391            0            1   0.35895473          264          275    6.0069324   0.19369231 0.00090384615     2.332667    5.5485401    199119.85            3            6 
+   52061    506.84322   -3217.9192            0            1   0.35895473          264          275    6.0069324   0.19346536 0.00090278712     2.332667    5.5485401    199119.85            3            6 
+Loop time of 0.0283017 on 4 procs for 61 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   52000    506.84322   -3198.7391            0            1   0.35895473          264          275    6.0069324   0.19369231 0.00090384615     2.332667    5.5485401    199119.85            3            6 
+   53000    477.74415   -3199.3706            0            1   0.31797782          264          275    6.0069324    0.1960566 0.00088679245     2.332667    5.5485401    200597.61            3            6 
+Loop time of 0.226147 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   53000    477.74415   -3199.3706            0            1   0.31797782          264          275    6.0069324    0.1960566 0.00088679245     2.332667    5.5485401    200597.61            3            6 
+   53056    477.74415   -3217.9192            0            1   0.31797782          264          275    6.0069324   0.19584967 0.00088585645     2.332667    5.5485401    200597.61            3            6 
+Loop time of 0.0249364 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   53000    477.74415   -3199.3706            0            1   0.31797782          264          275    6.0069324    0.1960566 0.00088679245     2.332667    5.5485401    200597.61            3            6 
+   54000    467.64603   -3198.6476   0.12868765    19.820426   0.25852702          575          280    6.0069324   0.19614815 0.00087037037     2.332667    5.5485401     203111.2            3            6 
+Loop time of 0.242983 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   54000    467.64603   -3198.6476   0.12868765    19.820426   0.25852702          575          280    6.0069324   0.19614815 0.00087037037     2.332667    5.5485401     203111.2            3            6 
+   54051    467.64603   -3217.9192   0.12868765    19.820426   0.25852702          575          280    6.0069324   0.19596307 0.00086954913     2.332667    5.5485401     203111.2            3            6 
+Loop time of 0.0256515 on 4 procs for 51 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   54000    467.64603   -3198.6476   0.12868765    19.820426   0.25852702          575          280    6.0069324   0.19614815 0.00087037037     2.332667    5.5485401     203111.2            3            6 
+   55000    504.56378   -3198.2318   0.01979034     1.582988   0.29400296          556          567    6.0069324       0.1934 0.00085454545     2.332667    5.5485401    209967.08            3            6 
+Loop time of 0.243744 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   55000    504.56378   -3198.2318   0.01979034     1.582988   0.29400296          556          567    6.0069324       0.1934 0.00085454545     2.332667    5.5485401    209967.08            3            6 
+   55057    504.56378   -3217.9192   0.01979034     1.582988   0.29400296          556          567    6.0069324   0.19319977 0.00085366075     2.332667    5.5485401    209967.08            3            6 
+Loop time of 0.0273646 on 4 procs for 57 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   55000    504.56378   -3198.2318   0.01979034     1.582988   0.29400296          556          567    6.0069324       0.1934 0.00085454545     2.332667    5.5485401    209967.08            3            6 
+   56000    564.45428   -3198.7813   0.20223936    109.26492   0.23151007           78           91    6.0069324   0.19246429 0.00083928571     2.332667    5.5485401    215831.27            3            6 
+Loop time of 0.238614 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   56000    564.45428   -3198.7813   0.20223936    109.26492   0.23151007           78           91    6.0069324   0.19246429 0.00083928571     2.332667    5.5485401    215831.27            3            6 
+   56052    564.45428   -3217.9192   0.20223936    109.26492   0.23151007           78           91    6.0069324   0.19228573 0.0008385071     2.332667    5.5485401    215831.27            3            6 
+Loop time of 0.0241504 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   56000    564.45428   -3198.7813   0.20223936    109.26492   0.23151007           78           91    6.0069324   0.19246429 0.00083928571     2.332667    5.5485401    215831.27            3            6 
+   57000    515.72168   -3198.6584   0.31159686    1382.7848   0.18415364          544          577    6.0069324   0.19210526 0.0008245614     2.332667    5.5485401    222695.11            3            6 
+Loop time of 0.30046 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   57000    515.72168   -3198.6584   0.31159686    1382.7848   0.18415364          544          577    6.0069324   0.19210526 0.0008245614     2.332667    5.5485401    222695.11            3            6 
+   57059    515.72168   -3217.9192   0.31159686    1382.7848   0.18415364          544          577    6.0069324   0.19190662 0.00082370879     2.332667    5.5485401    222695.11            3            6 
+Loop time of 0.0361512 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   57000    515.72168   -3198.6584   0.31159686    1382.7848   0.18415364          544          577    6.0069324   0.19210526 0.0008245614     2.332667    5.5485401    222695.11            3            6 
+   58000    493.40021   -3198.8621            0            1   0.30931038          275          577    6.0069324   0.18989655 0.00081034483     2.332667    5.5485401    225894.02            3            6 
+Loop time of 0.304723 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   58000    493.40021   -3198.8621            0            1   0.30931038          275          577    6.0069324   0.18989655 0.00081034483     2.332667    5.5485401    225894.02            3            6 
+   58055    493.40021   -3217.9192            0            1   0.30931038          275          577    6.0069324   0.18971665 0.00080957713     2.332667    5.5485401    225894.02            3            6 
+Loop time of 0.034838 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   58000    493.40021   -3198.8621            0            1   0.30931038          275          577    6.0069324   0.18989655 0.00081034483     2.332667    5.5485401    225894.02            3            6 
+   59000    459.13337    -3198.423   0.32299123    1801.3772   0.17849812          117          288    6.0069324        0.189 0.00079661017     2.332667    5.5485401    232785.62            3            6 
+Loop time of 0.267864 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   59000    459.13337    -3198.423   0.32299123    1801.3772   0.17849812          117          288    6.0069324        0.189 0.00079661017     2.332667    5.5485401    232785.62            3            6 
+   59052    459.13337   -3217.9192   0.32299123    1801.3772   0.17849812          117          288    6.0069324   0.18883357 0.00079590869     2.332667    5.5485401    232785.62            3            6 
+Loop time of 0.0229472 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   59000    459.13337    -3198.423   0.32299123    1801.3772   0.17849812          117          288    6.0069324        0.189 0.00079661017     2.332667    5.5485401    232785.62            3            6 
+   60000    491.26878   -3198.9291   0.28012983    666.16416   0.19893876          560          567    6.0069324   0.18678333 0.00078333333     2.332667    5.5485401    236949.88            3            6 
+Loop time of 0.224423 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   60000    491.26878   -3198.9291   0.28012983    666.16416   0.19893876          560          567    6.0069324   0.18678333 0.00078333333     2.332667    5.5485401    236949.88            3            6 
+   60051    491.26878   -3217.9192   0.28012983    666.16416   0.19893876          560          567    6.0069324    0.1866247 0.00078266807     2.332667    5.5485401    236949.88            3            6 
+Loop time of 0.0231369 on 4 procs for 51 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   60000    491.26878   -3198.9291   0.28012983    666.16416   0.19893876          560          567    6.0069324   0.18678333 0.00078333333     2.332667    5.5485401    236949.88            3            6 
+   61000    469.65564   -3198.3735  0.086199081    7.3934564   0.27291787          562          564    6.0069324   0.18445902 0.0007704918     2.332667    5.5485401    245720.88            3            6 
+Loop time of 0.228656 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   61000    469.65564   -3198.3735  0.086199081    7.3934564   0.27291787          562          564    6.0069324   0.18445902 0.0007704918     2.332667    5.5485401    245720.88            3            6 
+   61053    469.65564   -3217.9192  0.086199081    7.3934564   0.27291787          562          564    6.0069324   0.18429889 0.00076982294     2.332667    5.5485401    245720.88            3            6 
+Loop time of 0.0245876 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   61000    469.65564   -3198.3735  0.086199081    7.3934564   0.27291787          562          564    6.0069324   0.18445902 0.0007704918     2.332667    5.5485401    245720.88            3            6 
+   62000    520.14843   -3198.5458   0.35275062    3593.8982   0.16280322          116          123    6.0069324   0.18312903 0.00075806452     2.332667    5.5485401    250136.37            3            6 
+Loop time of 0.232165 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   62000    520.14843   -3198.5458   0.35275062    3593.8982   0.16280322          116          123    6.0069324   0.18312903 0.00075806452     2.332667    5.5485401    250136.37            3            6 
+   62056    520.14843   -3217.9192   0.35275062    3593.8982   0.16280322          116          123    6.0069324   0.18296377 0.00075738043     2.332667    5.5485401    250136.37            3            6 
+Loop time of 0.0275648 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   62000    520.14843   -3198.5458   0.35275062    3593.8982   0.16280322          116          123    6.0069324   0.18312903 0.00075806452     2.332667    5.5485401    250136.37            3            6 
+   63000    506.90141   -3196.9575  0.019630501    1.5771264   0.29405188          577          555    6.0069324   0.18190476 0.00074603175     2.332667    5.5485401    257004.48            3            6 
+Loop time of 0.236446 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   63000    506.90141   -3196.9575  0.019630501    1.5771264   0.29405188          577          555    6.0069324   0.18190476 0.00074603175     2.332667    5.5485401    257004.48            3            6 
+   63059    506.90141   -3217.9192  0.019630501    1.5771264   0.29405188          577          555    6.0069324   0.18173457 0.00074533374     2.332667    5.5485401    257004.48            3            6 
+Loop time of 0.0258729 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   63000    506.90141   -3196.9575  0.019630501    1.5771264   0.29405188          577          555    6.0069324   0.18190476 0.00074603175     2.332667    5.5485401    257004.48            3            6 
+   64000    435.29185   -3197.3025   0.08981574    8.0408468   0.27172259          266          267    6.0069324   0.18060937  0.000734375     2.332667    5.5485401    261196.79            3            6 
+Loop time of 0.224694 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   64000    435.29185   -3197.3025   0.08981574    8.0408468   0.27172259          266          267    6.0069324   0.18060937  0.000734375     2.332667    5.5485401    261196.79            3            6 
+   64053    435.29185   -3217.9192   0.08981574    8.0408468   0.27172259          266          267    6.0069324   0.18045993 0.00073376735     2.332667    5.5485401    261196.79            3            6 
+Loop time of 0.023932 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   64000    435.29185   -3197.3025   0.08981574    8.0408468   0.27172259          266          267    6.0069324   0.18060937  0.000734375     2.332667    5.5485401    261196.79            3            6 
+   65000    484.45338   -3198.1013   0.27900382    648.98038   0.19944752           85           87    6.0069324   0.17955385 0.00072307692     2.332667    5.5485401    267611.45            3            6 
+Loop time of 0.225038 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   65000    484.45338   -3198.1013   0.27900382    648.98038   0.19944752           85           87    6.0069324   0.17955385 0.00072307692     2.332667    5.5485401    267611.45            3            6 
+   65053    484.45338   -3217.9192   0.27900382    648.98038   0.19944752           85           87    6.0069324   0.17940756 0.00072248782     2.332667    5.5485401    267611.45            3            6 
+Loop time of 0.0248089 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   65000    484.45338   -3198.1013   0.27900382    648.98038   0.19944752           85           87    6.0069324   0.17955385 0.00072307692     2.332667    5.5485401    267611.45            3            6 
+   66000    497.23553    -3199.036   0.25525209    373.95984   0.20989193          412          411    6.0069324   0.17804545 0.00071212121     2.332667    5.5485401    274383.49            3            6 
+Loop time of 0.233376 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   66000    497.23553    -3199.036   0.25525209    373.95984   0.20989193          412          411    6.0069324   0.17804545 0.00071212121     2.332667    5.5485401    274383.49            3            6 
+   66058    497.23553   -3217.9192   0.25525209    373.95984   0.20989193          412          411    6.0069324   0.17788913 0.00071149596     2.332667    5.5485401    274383.49            3            6 
+Loop time of 0.0279601 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   66000    497.23553    -3199.036   0.25525209    373.95984   0.20989193          412          411    6.0069324   0.17804545 0.00071212121     2.332667    5.5485401    274383.49            3            6 
+   67000    488.34684   -3198.7152   0.27967841     659.2212   0.19914288          264          275    6.0069324   0.17935821 0.00070149254     2.332667    5.5485401    274635.62            3            6 
+Loop time of 0.237521 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   67000    488.34684   -3198.7152   0.27967841     659.2212   0.19914288          264          275    6.0069324   0.17935821 0.00070149254     2.332667    5.5485401    274635.62            3            6 
+   67055    488.34684   -3217.9192   0.27967841     659.2212   0.19914288          264          275    6.0069324    0.1792111 0.00070091716     2.332667    5.5485401    274635.62            3            6 
+Loop time of 0.0262208 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   67000    488.34684   -3198.7152   0.27967841     659.2212   0.19914288          264          275    6.0069324   0.17935821 0.00070149254     2.332667    5.5485401    274635.62            3            6 
+   68000    547.06201   -3198.7151   0.11427629    14.185774   0.26349624          261          263    6.0069324   0.17882353 0.00069117647     2.332667    5.5485401    277575.99            3            6 
+Loop time of 0.224043 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   68000    547.06201   -3198.7151   0.11427629    14.185774   0.26349624          261          263    6.0069324   0.17882353 0.00069117647     2.332667    5.5485401    277575.99            3            6 
+   68060    547.06201   -3217.9192   0.11427629    14.185774   0.26349624          261          263    6.0069324   0.17866588 0.00069056715     2.332667    5.5485401    277575.99            3            6 
+Loop time of 0.0288572 on 4 procs for 60 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   68000    547.06201   -3198.7151   0.11427629    14.185774   0.26349624          261          263    6.0069324   0.17882353 0.00069117647     2.332667    5.5485401    277575.99            3            6 
+   69000    508.94771   -3198.9475   0.10069537    10.350552   0.26809482          264          275    6.0069324   0.18095652 0.00068115942     2.332667    5.5485401    279847.52            3            6 
+Loop time of 0.227692 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   69000    508.94771   -3198.9475   0.10069537    10.350552   0.26809482          264          275    6.0069324   0.18095652 0.00068115942     2.332667    5.5485401    279847.52            3            6 
+   69056    508.94771   -3217.9192   0.10069537    10.350552   0.26809482          264          275    6.0069324   0.18080978 0.00068060704     2.332667    5.5485401    279847.52            3            6 
+Loop time of 0.0247979 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   69000    508.94771   -3198.9475   0.10069537    10.350552   0.26809482          264          275    6.0069324   0.18095652 0.00068115942     2.332667    5.5485401    279847.52            3            6 
+   70000    499.92534   -3198.5636    0.3528879    3605.3669   0.16272731          283          288    6.0069324   0.18142857 0.00072857143     2.332667    5.5485401    281504.52            3            6 
+Loop time of 0.232204 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   70000    499.92534   -3198.5636    0.3528879    3605.3669   0.16272731          283          288    6.0069324   0.18142857 0.00072857143     2.332667    5.5485401    281504.52            3            6 
+   70054    499.92534   -3217.9192    0.3528879    3605.3669   0.16272731          283          288    6.0069324   0.18128872 0.00072800982     2.332667    5.5485401    281504.52            3            6 
+Loop time of 0.0249009 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   70000    499.92534   -3198.5636    0.3528879    3605.3669   0.16272731          283          288    6.0069324   0.18142857 0.00072857143     2.332667    5.5485401    281504.52            3            6 
+   71000    506.70688    -3197.313  0.082678879     6.813425   0.27407627          541          543    6.0069324   0.18050704 0.00071830986     2.332667    5.5485401    286003.61            3            6 
+Loop time of 0.229025 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   71000    506.70688    -3197.313  0.082678879     6.813425   0.27407627          541          543    6.0069324   0.18050704 0.00071830986     2.332667    5.5485401    286003.61            3            6 
+   71059    506.70688   -3217.9192  0.082678879     6.813425   0.27407627          541          543    6.0069324   0.18035717 0.00071771345     2.332667    5.5485401    286003.61            3            6 
+Loop time of 0.0265949 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   71000    506.70688    -3197.313  0.082678879     6.813425   0.27407627          541          543    6.0069324   0.18050704 0.00071830986     2.332667    5.5485401    286003.61            3            6 
+   72000    464.23294   -3197.7357            0            1   0.31542276          275          577    6.0069324   0.18266667 0.00070833333     2.332667    5.5485401    286734.83            3            6 
+Loop time of 0.228346 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   72000    464.23294   -3197.7357            0            1   0.31542276          275          577    6.0069324   0.18266667 0.00070833333     2.332667    5.5485401    286734.83            3            6 
+   72053    464.23294   -3217.9192            0            1   0.31542276          275          577    6.0069324    0.1825323 0.0007078123     2.332667    5.5485401    286734.83            3            6 
+Loop time of 0.026114 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   72000    464.23294   -3197.7357            0            1   0.31542276          275          577    6.0069324   0.18266667 0.00070833333     2.332667    5.5485401    286734.83            3            6 
+   73000    529.30216   -3198.1231    0.1005148    10.307265   0.26815543          411          416    6.0069324   0.18394521 0.00069863014     2.332667    5.5485401    287872.93            3            6 
+Loop time of 0.229123 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   73000    529.30216   -3198.1231    0.1005148    10.307265   0.26815543          411          416    6.0069324   0.18394521 0.00069863014     2.332667    5.5485401    287872.93            3            6 
+   73054    529.30216   -3217.9192    0.1005148    10.307265   0.26815543          411          416    6.0069324   0.18380924 0.00069811372     2.332667    5.5485401    287872.93            3            6 
+Loop time of 0.0243089 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   73000    529.30216   -3198.1231    0.1005148    10.307265   0.26815543          411          416    6.0069324   0.18394521 0.00069863014     2.332667    5.5485401    287872.93            3            6 
+   74000    490.65557   -3199.6766   0.14904687    31.792497   0.25133954          111          116    6.0069324   0.18322973 0.00068918919     2.332667    5.5485401    294766.16            3            6 
+Loop time of 0.236133 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   74000    490.65557   -3199.6766   0.14904687    31.792497   0.25133954          111          116    6.0069324   0.18322973 0.00068918919     2.332667    5.5485401    294766.16            3            6 
+   74055    490.65557   -3217.9192   0.14904687    31.792497   0.25133954          111          116    6.0069324   0.18309365 0.00068867733     2.332667    5.5485401    294766.16            3            6 
+Loop time of 0.0264881 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   74000    490.65557   -3199.6766   0.14904687    31.792497   0.25133954          111          116    6.0069324   0.18322973 0.00068918919     2.332667    5.5485401    294766.16            3            6 
+   75000    475.22638   -3198.1558   0.37341486    5805.6632   0.15094809          563          564    6.0069324      0.18212 0.00073333333     2.332667    5.5485401    302150.54            3            6 
+Loop time of 0.228974 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   75000    475.22638   -3198.1558   0.37341486    5805.6632   0.15094809          563          564    6.0069324      0.18212 0.00073333333     2.332667    5.5485401    302150.54            3            6 
+   75053    475.22638   -3217.9192   0.37341486    5805.6632   0.15094809          563          564    6.0069324   0.18199139 0.00073281548     2.332667    5.5485401    302150.54            3            6 
+Loop time of 0.0246332 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   75000    475.22638   -3198.1558   0.37341486    5805.6632   0.15094809          563          564    6.0069324      0.18212 0.00073333333     2.332667    5.5485401    302150.54            3            6 
+   76000    523.91803   -3198.8966  0.038679316    2.4539737   0.28816267          263          264    6.0069324   0.18286842 0.00072368421     2.332667    5.5485401     304160.3            3            6 
+Loop time of 0.223991 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   76000    523.91803   -3198.8966  0.038679316    2.4539737   0.28816267          263          264    6.0069324   0.18286842 0.00072368421     2.332667    5.5485401     304160.3            3            6 
+   76058    523.91803   -3217.9192  0.038679316    2.4539737   0.28816267          263          264    6.0069324   0.18272897 0.00072313235     2.332667    5.5485401     304160.3            3            6 
+Loop time of 0.0268497 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   76000    523.91803   -3198.8966  0.038679316    2.4539737   0.28816267          263          264    6.0069324   0.18286842 0.00072368421     2.332667    5.5485401     304160.3            3            6 
+   77000    511.16512   -3199.1926            0            1   0.31251901          264          275    6.0069324   0.18790909 0.00071428571     2.332667    5.5485401    304174.43            3            6 
+Loop time of 0.226324 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   77000    511.16512   -3199.1926            0            1   0.31251901          264          275    6.0069324   0.18790909 0.00071428571     2.332667    5.5485401    304174.43            3            6 
+   77059    511.16512   -3217.9192            0            1   0.31251901          264          275    6.0069324   0.18776522 0.00071373882     2.332667    5.5485401    304174.43            3            6 
+Loop time of 0.026314 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   77000    511.16512   -3199.1926            0            1   0.31251901          264          275    6.0069324   0.18790909 0.00071428571     2.332667    5.5485401    304174.43            3            6 
+   78000    554.58169   -3199.0107  0.022175428    1.6730858   0.29327193          263          264    6.0069324   0.19037179 0.00094871795     2.332667    5.5485401    304438.98            3            6 
+Loop time of 0.234504 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   78000    554.58169   -3199.0107  0.022175428    1.6730858   0.29327193          263          264    6.0069324   0.19037179 0.00094871795     2.332667    5.5485401    304438.98            3            6 
+   78062    554.58169   -3217.9192  0.022175428    1.6730858   0.29327193          263          264    6.0069324   0.19022059 0.00094796444     2.332667    5.5485401    304438.98            3            6 
+Loop time of 0.0297351 on 4 procs for 62 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   78000    554.58169   -3199.0107  0.022175428    1.6730858   0.29327193          263          264    6.0069324   0.19037179 0.00094871795     2.332667    5.5485401    304438.98            3            6 
+   79000    523.97176   -3198.2366    0.1672356    48.490735   0.24473985          556          567    6.0069324   0.19017722 0.00093670886     2.332667    5.5485401    306076.23            3            6 
+Loop time of 0.228044 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   79000    523.97176   -3198.2366    0.1672356    48.490735   0.24473985          556          567    6.0069324   0.19017722 0.00093670886     2.332667    5.5485401    306076.23            3            6 
+   79057    523.97176   -3217.9192    0.1672356    48.490735   0.24473985          556          567    6.0069324    0.1900401 0.00093603349     2.332667    5.5485401    306076.23            3            6 
+Loop time of 0.026444 on 4 procs for 57 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   79000    523.97176   -3198.2366    0.1672356    48.490735   0.24473985          556          567    6.0069324   0.19017722 0.00093670886     2.332667    5.5485401    306076.23            3            6 
+   80000    479.09781   -3197.6134            0            1   0.30854872          263          577    6.0069324    0.1902125     0.000925     2.332667    5.5485401    308522.09            3            6 
+Loop time of 0.224854 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   80000    479.09781   -3197.6134            0            1   0.30854872          263          577    6.0069324    0.1902125     0.000925     2.332667    5.5485401    308522.09            3            6 
+   80059    479.09781   -3217.9192            0            1   0.30854872          263          577    6.0069324   0.19007232 0.00092431832     2.332667    5.5485401    308522.09            3            6 
+Loop time of 0.0272751 on 4 procs for 59 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   80000    479.09781   -3197.6134            0            1   0.30854872          263          577    6.0069324    0.1902125     0.000925     2.332667    5.5485401    308522.09            3            6 
+   81000    517.52613   -3198.2236   0.29863857    1023.6251   0.19038135          254          256    6.0069324   0.18996296 0.00091358025     2.332667    5.5485401    311171.12            3            6 
+Loop time of 0.226269 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   81000    517.52613   -3198.2236   0.29863857    1023.6251   0.19038135          254          256    6.0069324   0.18996296 0.00091358025     2.332667    5.5485401    311171.12            3            6 
+   81056    517.52613   -3217.9192   0.29863857    1023.6251   0.19038135          254          256    6.0069324   0.18983172 0.00091294907     2.332667    5.5485401    311171.12            3            6 
+Loop time of 0.0258186 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   81000    517.52613   -3198.2236   0.29863857    1023.6251   0.19038135          254          256    6.0069324   0.18996296 0.00091358025     2.332667    5.5485401    311171.12            3            6 
+   82000    503.95678   -3197.7481  0.091495497    8.3605139   0.27116565          263          264    6.0069324   0.18862195 0.0010365854     2.332667    5.5485401    315319.38            3            6 
+Loop time of 0.235559 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   82000    503.95678   -3197.7481  0.091495497    8.3605139   0.27116565          263          264    6.0069324   0.18862195 0.0010365854     2.332667    5.5485401    315319.38            3            6 
+   82055    503.95678   -3217.9192  0.091495497    8.3605139   0.27116565          263          264    6.0069324   0.18849552 0.0010358906     2.332667    5.5485401    315319.38            3            6 
+Loop time of 0.0261242 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   82000    503.95678   -3197.7481  0.091495497    8.3605139   0.27116565          263          264    6.0069324   0.18862195 0.0010365854     2.332667    5.5485401    315319.38            3            6 
+   83000    537.67639   -3197.6886            0            1   0.32414276          263          264    6.0069324    0.1896988 0.0010240964     2.332667    5.5485401    316613.84            3            6 
+Loop time of 0.227873 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   83000    537.67639   -3197.6886            0            1   0.32414276          263          264    6.0069324    0.1896988 0.0010240964     2.332667    5.5485401    316613.84            3            6 
+   83064    537.67639   -3217.9192            0            1   0.32414276          263          264    6.0069324   0.18955263 0.0010233073     2.332667    5.5485401    316613.84            3            6 
+Loop time of 0.0301323 on 4 procs for 64 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   83000    537.67639   -3197.6886            0            1   0.32414276          263          264    6.0069324    0.1896988 0.0010240964     2.332667    5.5485401    316613.84            3            6 
+   84000    510.26841   -3199.5428   0.23554832    236.71181   0.21817723          142          424    6.0069324         0.19 0.0010119048     2.332667    5.5485401    318598.08            3            6 
+Loop time of 0.228573 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   84000    510.26841   -3199.5428   0.23554832    236.71181   0.21817723          142          424    6.0069324         0.19 0.0010119048     2.332667    5.5485401    318598.08            3            6 
+   84052    510.26841   -3217.9192   0.23554832    236.71181   0.21817723          142          424    6.0069324   0.18988245 0.0010112787     2.332667    5.5485401    318598.08            3            6 
+Loop time of 0.0254717 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   84000    510.26841   -3199.5428   0.23554832    236.71181   0.21817723          142          424    6.0069324         0.19 0.0010119048     2.332667    5.5485401    318598.08            3            6 
+   85000    472.16876   -3197.5248            0            1   0.34247044          264          275    6.0069324   0.18970588        0.001     2.332667    5.5485401    323882.61            3            6 
+Loop time of 0.231174 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   85000    472.16876   -3197.5248            0            1   0.34247044          264          275    6.0069324   0.18970588        0.001     2.332667    5.5485401    323882.61            3            6 
+   85055    472.16876   -3217.9192            0            1   0.34247044          264          275    6.0069324   0.18958321 0.00099935336     2.332667    5.5485401    323882.61            3            6 
+Loop time of 0.0253472 on 4 procs for 55 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   85000    472.16876   -3197.5248            0            1   0.34247044          264          275    6.0069324   0.18970588        0.001     2.332667    5.5485401    323882.61            3            6 
+   86000    509.30024   -3198.3226   0.20619306    119.76563   0.22996793          275          276    6.0069324   0.19110465 0.00098837209     2.332667    5.5485401    325788.44            3            6 
+Loop time of 0.241364 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   86000    509.30024   -3198.3226   0.20619306    119.76563   0.22996793          275          276    6.0069324   0.19110465 0.00098837209     2.332667    5.5485401    325788.44            3            6 
+   86053    509.30024   -3217.9192   0.20619306    119.76563   0.22996793          275          276    6.0069324   0.19098695 0.00098776336     2.332667    5.5485401    325788.44            3            6 
+Loop time of 0.0262635 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   86000    509.30024   -3198.3226   0.20619306    119.76563   0.22996793          275          276    6.0069324   0.19110465 0.00098837209     2.332667    5.5485401    325788.44            3            6 
+   87000    478.57944   -3199.3497   0.19192384    86.001287   0.23548611          260          271    6.0069324    0.1897931 0.00097701149     2.332667    5.5485401    330047.59            3            6 
+Loop time of 0.230381 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   87000    478.57944   -3199.3497   0.19192384    86.001287   0.23548611          260          271    6.0069324    0.1897931 0.00097701149     2.332667    5.5485401    330047.59            3            6 
+   87058    478.57944   -3217.9192   0.19192384    86.001287   0.23548611          260          271    6.0069324   0.18966666 0.00097636059     2.332667    5.5485401    330047.59            3            6 
+Loop time of 0.0275965 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   87000    478.57944   -3199.3497   0.19192384    86.001287   0.23548611          260          271    6.0069324    0.1897931 0.00097701149     2.332667    5.5485401    330047.59            3            6 
+   88000    515.63138   -3198.9629   0.35491784    3779.2911   0.16160071          543          577    6.0069324   0.18827273 0.00096590909     2.332667    5.5485401    337304.34            3            6 
+Loop time of 0.229339 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   88000    515.63138   -3198.9629   0.35491784    3779.2911   0.16160071          543          577    6.0069324   0.18827273 0.00096590909     2.332667    5.5485401    337304.34            3            6 
+   88050    515.63138   -3217.9192   0.35491784    3779.2911   0.16160071          543          577    6.0069324   0.18816581 0.00096536059     2.332667    5.5485401    337304.34            3            6 
+Loop time of 0.0253522 on 4 procs for 50 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   88000    515.63138   -3198.9629   0.35491784    3779.2911   0.16160071          543          577    6.0069324   0.18827273 0.00096590909     2.332667    5.5485401    337304.34            3            6 
+   89000    520.37063   -3197.8234            0            1   0.92013924          262          275    6.0069324   0.19148315 0.0011123596     2.332667    5.5485401    339909.57            3            6 
+Loop time of 0.234048 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   89000    520.37063   -3197.8234            0            1   0.92013924          262          275    6.0069324   0.19148315 0.0011123596     2.332667    5.5485401    339909.57            3            6 
+   89052    520.37063   -3217.9192            0            1   0.92013924          262          275    6.0069324   0.19137133   0.00111171     2.332667    5.5485401    339909.57            3            6 
+Loop time of 0.0242915 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   89000    520.37063   -3197.8234   0.34652166    3110.1454   0.16621101          111          112    6.0069324   0.19148315 0.0011123596     2.332667    5.5485401    339909.57            4            8 
+   90000    455.69218   -3197.8262   0.30521336    1192.3721   0.18724742          416          415    6.0069324       0.1905       0.0011     2.332667    5.5485401    345606.41            4            8 
+Loop time of 0.239736 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   90000    455.69218   -3197.8262   0.30521336    1192.3721   0.18724742          416          415    6.0069324       0.1905       0.0011     2.332667    5.5485401    345606.41            4            8 
+   90058    455.69218   -3217.9192   0.30521336    1192.3721   0.18724742          416          415    6.0069324   0.19037731 0.0010992916     2.332667    5.5485401    345606.41            4            8 
+Loop time of 0.027481 on 4 procs for 58 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   90000    455.69218   -3197.8262   0.30521336    1192.3721   0.18724742          416          415    6.0069324       0.1905       0.0011     2.332667    5.5485401    345606.41            4            8 
+   91000    506.17768   -3197.1344  0.035696451    2.2898339   0.28909279          547          548    6.0069324   0.18983516 0.0010879121     2.332667    5.5485401    350825.27            4            8 
+Loop time of 0.23396 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   91000    506.17768   -3197.1344  0.035696451    2.2898339   0.28909279          547          548    6.0069324   0.18983516 0.0010879121     2.332667    5.5485401    350825.27            4            8 
+   91051    506.17768   -3217.9192  0.035696451    2.2898339   0.28909279          547          548    6.0069324   0.18972883 0.0010873027     2.332667    5.5485401    350825.27            4            8 
+Loop time of 0.0249534 on 4 procs for 51 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   91000    506.17768   -3197.1344  0.035696451    2.2898339   0.28909279          547          548    6.0069324   0.18983516 0.0010879121     2.332667    5.5485401    350825.27            4            8 
+   92000     478.3025   -3197.9483            0            1   0.30393958          544          556    6.0069324   0.19196739  0.001076087     2.332667    5.5485401    352816.62            4            8 
+Loop time of 0.233376 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   92000     478.3025   -3197.9483            0            1   0.30393958          544          556    6.0069324   0.19196739  0.001076087     2.332667    5.5485401    352816.62            4            8 
+   92060     478.3025   -3217.9192            0            1   0.30393958          544          556    6.0069324   0.19184228 0.0010753856     2.332667    5.5485401    352816.62            4            8 
+Loop time of 0.0286014 on 4 procs for 60 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   92000     478.3025   -3197.9483            0            1   0.30393958          544          556    6.0069324   0.19196739  0.001076087     2.332667    5.5485401    352816.62            4            8 
+   93000    485.23153   -3199.9299   0.16699022    48.215364   0.24483006          544          556    6.0069324    0.1942043 0.0010645161     2.332667    5.5485401    354391.05            4            8 
+Loop time of 0.234626 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   93000    485.23153   -3199.9299   0.16699022    48.215364   0.24483006          544          556    6.0069324    0.1942043 0.0010645161     2.332667    5.5485401    354391.05            4            8 
+   93056    485.23153   -3217.9192   0.16699022    48.215364   0.24483006          544          556    6.0069324   0.19408743 0.0010638755     2.332667    5.5485401    354391.05            4            8 
+Loop time of 0.0261769 on 4 procs for 56 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   93000    485.23153   -3199.9299   0.16699022    48.215364   0.24483006          544          556    6.0069324    0.1942043 0.0010645161     2.332667    5.5485401    354391.05            4            8 
+   94000    499.72991   -3199.3195            0            1   0.30394408          544          556    6.0069324   0.19443617 0.0010531915     2.332667    5.5485401    360147.54            4            8 
+Loop time of 0.229448 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   94000    499.72991   -3199.3195            0            1   0.30394408          544          556    6.0069324   0.19443617 0.0010531915     2.332667    5.5485401    360147.54            4            8 
+   94061    499.72991   -3217.9192            0            1   0.30394408          544          556    6.0069324   0.19431008 0.0010525085     2.332667    5.5485401    360147.54            4            8 
+Loop time of 0.0281783 on 4 procs for 61 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   94000    499.72991   -3199.3195            0            1   0.30394408          544          556    6.0069324   0.19443617 0.0010531915     2.332667    5.5485401    360147.54            4            8 
+   95000    509.83941   -3199.0903  0.078854869     6.234781   0.27532912          555          556    6.0069324   0.19681053 0.0010421053     2.332667    5.5485401    360599.28            4            8 
+Loop time of 0.224206 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   95000    509.83941   -3199.0903  0.078854869     6.234781   0.27532912          555          556    6.0069324   0.19681053 0.0010421053     2.332667    5.5485401    360599.28            4            8 
+   95060    509.83941   -3217.9192  0.078854869     6.234781   0.27532912          555          556    6.0069324    0.1966863 0.0010414475     2.332667    5.5485401    360599.28            4            8 
+Loop time of 0.027992 on 4 procs for 60 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   95000    509.83941   -3199.0903  0.078854869     6.234781   0.27532912          555          556    6.0069324   0.19681053 0.0010421053     2.332667    5.5485401    360599.28            4            8 
+   96000    486.83779   -3197.2106   0.31070799    1354.5503   0.18458755          136          431    6.0069324   0.19620833   0.00103125     2.332667    5.5485401    365489.89            4            8 
+Loop time of 0.228167 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   96000    486.83779   -3197.2106   0.31070799    1354.5503   0.18458755          136          431    6.0069324   0.19620833   0.00103125     2.332667    5.5485401    365489.89            4            8 
+   96053    486.83779   -3217.9192   0.31070799    1354.5503   0.18458755          136          431    6.0069324   0.19610007  0.001030681     2.332667    5.5485401    365489.89            4            8 
+Loop time of 0.024569 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   96000    486.83779   -3197.2106   0.31070799    1354.5503   0.18458755          136          431    6.0069324   0.19620833   0.00103125     2.332667    5.5485401    365489.89            4            8 
+   97000    499.91835   -3199.2446    0.2280334    198.82589   0.22125548          280          111    6.0069324   0.19491753 0.0010206186     2.332667    5.5485401    372336.45            4            8 
+Loop time of 0.23889 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   97000    499.91835   -3199.2446    0.2280334    198.82589   0.22125548          280          111    6.0069324   0.19491753 0.0010206186     2.332667    5.5485401    372336.45            4            8 
+   97052    499.91835   -3217.9192    0.2280334    198.82589   0.22125548          280          111    6.0069324   0.19481309 0.0010200717     2.332667    5.5485401    372336.45            4            8 
+Loop time of 0.0262206 on 4 procs for 52 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   97000    499.91835   -3199.2446    0.2280334    198.82589   0.22125548          280          111    6.0069324   0.19491753 0.0010206186     2.332667    5.5485401    372336.45            4            8 
+   98000    547.56456   -3197.2191   0.27848637    641.23302   0.19968088          430          136    6.0069324    0.1957449 0.0010102041     2.332667    5.5485401    377711.41            4            8 
+Loop time of 0.239305 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   98000    547.56456   -3197.2191   0.27848637    641.23302   0.19968088          430          136    6.0069324    0.1957449 0.0010102041     2.332667    5.5485401    377711.41            4            8 
+   98054    547.56456   -3217.9192   0.27848637    641.23302   0.19968088          430          136    6.0069324    0.1956371 0.0010096477     2.332667    5.5485401    377711.41            4            8 
+Loop time of 0.0272166 on 4 procs for 54 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   98000    547.56456   -3197.2191   0.27848637    641.23302   0.19968088          430          136    6.0069324    0.1957449 0.0010102041     2.332667    5.5485401    377711.41            4            8 
+   99000    504.19627   -3196.6567            0            1   0.33814873          287          276    6.0069324   0.19517172        0.001     2.332667    5.5485401    381676.19            4            8 
+Loop time of 0.235176 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   99000    504.19627   -3196.6567            0            1   0.33814873          287          276    6.0069324   0.19517172        0.001     2.332667    5.5485401    381676.19            4            8 
+   99053    504.19627   -3217.9192            0            1   0.33814873          287          276    6.0069324   0.19506729 0.00099946493     2.332667    5.5485401    381676.19            4            8 
+Loop time of 0.0249114 on 4 procs for 53 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+   99000    504.19627   -3196.6567            0            1   0.33814873          287          276    6.0069324   0.19517172        0.001     2.332667    5.5485401    381676.19            4            8 
+  100000    542.04702   -3198.2211   0.37630331    6208.2061   0.14921597          563          564    6.0069324      0.19442      0.00099     2.332667    5.5485401     385211.4            4            8 
+Loop time of 0.226452 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 
+  100000    542.04702   -3198.2211   0.37630331    6208.2061   0.14921597          563          564    6.0069324      0.19442      0.00099     2.332667    5.5485401     385211.4            4            8 
+  100060    542.04702   -3217.9192   0.37630331    6208.2061   0.14921597          563          564    6.0069324   0.19430342 0.00098940636     2.332667    5.5485401     385211.4            4            8 
+Loop time of 0.0303354 on 4 procs for 60 steps with 577 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+  hyper time = 385211
+  time boost factor = 770.423
+  event timesteps = 4
+  # of atoms in events = 8
+Quantities for this hyper run:
+  event timesteps = 4
+  # of atoms in events = 8
+  max length of any bond = 5.54854
+  max drift distance of any atom = 2.33267
+  fraction of biased bonds with zero bias = 0.19442
+  fraction of biased bonds with negative strain = 0.00099
+Current quantities:
+  ave bonds/atom = 6.00693
+
+Loop time of 26.6054 on 4 procs for 100000 steps with 577 atoms
+
+Performance: 1623.732 ns/day, 0.015 hours/ns, 3758.639 timesteps/s
+100.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+Hyper stats:
+  Dynamics time (%) = 23.5897 (88.665)
+  Quench   time (%) = 2.6357 (9.90664)
+  Other    time (%) = 0.875172 (3.28945)
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 18.942     | 19.435     | 20.026     |  10.1 | 73.05
+Neigh   | 1.3021     | 1.3833     | 1.4611     |   6.2 |  5.20
+Comm    | 2.1376     | 2.1725     | 2.2239     |   2.2 |  8.17
+Output  | 0.0033467  | 0.0034443  | 0.0037186  |   0.3 |  0.01
+Modify  | 2.0693     | 2.7356     | 3.2627     |  30.2 | 10.28
+Other   |            | 0.8752     |            |       |  3.29
+
+Nlocal:    144.25 ave 152 max 139 min
+Histogram: 1 1 0 0 1 0 0 0 0 1
+Nghost:    533.25 ave 538 max 526 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+Neighs:    3368.25 ave 3528 max 3240 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+
+Total # of neighbors = 13473
+Ave neighs/atom = 23.3501
+Neighbor list builds = 10072
+Dangerous builds = 0
+Total wall time: 0:00:27
diff --git a/examples/hyper/log.25Mar19.hyper.local.g++.16 b/examples/hyper/log.25Mar19.hyper.local.g++.16
new file mode 100644
index 0000000000000000000000000000000000000000..b56406f9638d6375bda71164328da203178977dd
--- /dev/null
+++ b/examples/hyper/log.25Mar19.hyper.local.g++.16
@@ -0,0 +1,1002 @@
+LAMMPS (28 Feb 2019)
+# 3d EAM surface for local HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 400.0
+variable        Vmax index 0.4
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        Dcut index 10.0
+variable        cutevent index 1.1
+variable        alpha index 200.0
+variable        boost index 4000.0
+variable        ghostcut index 12.0
+variable        steps index 1500
+variable        nevent index 100
+variable        nx index 8
+variable        ny index 8
+variable        zoom index 1.8
+variable        seed index 826626413
+variable        tol index 1.0e-15
+variable        add index 37K
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+comm_modify     cutoff ${ghostcut}
+comm_modify     cutoff 12.0
+
+lattice		fcc 3.92
+Lattice spacing in x,y,z = 3.92 3.92 3.92
+region		box block 0 6 0 6 0 4
+create_box	2 box
+Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
+  2 by 4 by 2 MPI processor grid
+create_atoms	1 box
+Created 576 atoms
+  Time spent = 0.00110102 secs
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f
+  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
+
+# replicate in xy
+
+replicate       ${nx} ${ny} 1
+replicate       8 ${ny} 1
+replicate       8 8 1
+  orthogonal box = (0 0 -0.392) to (188.16 188.16 19.6)
+  4 by 4 by 1 MPI processor grid
+  36864 atoms
+  Time spent = 0.00289989 secs
+
+# add adatoms
+
+include         adatoms.list.${add}
+include         adatoms.list.37K
+create_atoms 1 single 27.5 9.5 4
+Created 1 atoms
+  Time spent = 0.000200033 secs
+create_atoms 1 single 16 9 4
+Created 1 atoms
+  Time spent = 0.000183105 secs
+create_atoms 1 single 10 12 4
+Created 1 atoms
+  Time spent = 0.000180006 secs
+create_atoms 1 single 31 44 4
+Created 1 atoms
+  Time spent = 0.000190973 secs
+create_atoms 1 single 13 17 4
+Created 1 atoms
+  Time spent = 0.000185013 secs
+create_atoms 1 single 8.5 28.5 4
+Created 1 atoms
+  Time spent = 0.00018692 secs
+create_atoms 1 single 23 26 4
+Created 1 atoms
+  Time spent = 0.000179052 secs
+create_atoms 1 single 38 27 4
+Created 1 atoms
+  Time spent = 0.000191927 secs
+create_atoms 1 single 37.5 4.5 4
+Created 1 atoms
+  Time spent = 0.000238895 secs
+create_atoms 1 single 41.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000191927 secs
+create_atoms 1 single 20.5 37.5 4
+Created 1 atoms
+  Time spent = 0.000185966 secs
+create_atoms 1 single 5 8 4
+Created 1 atoms
+  Time spent = 0.000170946 secs
+create_atoms 1 single 2.5 16.5 4
+Created 1 atoms
+  Time spent = 0.000174046 secs
+create_atoms 1 single 38.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000172853 secs
+create_atoms 1 single 9 0 4
+Created 1 atoms
+  Time spent = 0.000187159 secs
+create_atoms 1 single 39 32 4
+Created 1 atoms
+  Time spent = 0.000180006 secs
+create_atoms 1 single 45.5 11.5 4
+Created 1 atoms
+  Time spent = 0.000189066 secs
+create_atoms 1 single 40 0 4
+Created 1 atoms
+  Time spent = 0.000170946 secs
+create_atoms 1 single 44.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000191927 secs
+create_atoms 1 single 4.5 44.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 24.5 13.5 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 47.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000181913 secs
+create_atoms 1 single 1 20 4
+Created 1 atoms
+  Time spent = 0.000167131 secs
+create_atoms 1 single 38.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 12.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 2 27 4
+Created 1 atoms
+  Time spent = 0.000170231 secs
+create_atoms 1 single 21 5 4
+Created 1 atoms
+  Time spent = 0.00018096 secs
+create_atoms 1 single 47 12 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 32.5 46.5 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 9.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 8.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 41.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000175953 secs
+create_atoms 1 single 29 11 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 3.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000174999 secs
+create_atoms 1 single 5 21 4
+Created 1 atoms
+  Time spent = 0.0001719 secs
+create_atoms 1 single 46.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 35 46 4
+Created 1 atoms
+  Time spent = 0.000178099 secs
+create_atoms 1 single 40.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 10 22 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 43.5 14.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 42 42 4
+Created 1 atoms
+  Time spent = 0.000184059 secs
+create_atoms 1 single 4 26 4
+Created 1 atoms
+  Time spent = 0.000178814 secs
+create_atoms 1 single 19 34 4
+Created 1 atoms
+  Time spent = 0.0001688 secs
+create_atoms 1 single 33 9 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 0.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 30.5 32.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 25.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 47.5 39.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 15 13 4
+Created 1 atoms
+  Time spent = 0.000174046 secs
+create_atoms 1 single 21 21 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 14 28 4
+Created 1 atoms
+  Time spent = 0.000170946 secs
+create_atoms 1 single 9 34 4
+Created 1 atoms
+  Time spent = 0.000174999 secs
+create_atoms 1 single 7 38 4
+Created 1 atoms
+  Time spent = 0.000167847 secs
+create_atoms 1 single 11 35 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 20.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000177145 secs
+create_atoms 1 single 30.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000167131 secs
+create_atoms 1 single 32.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 21.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 23 12 4
+Created 1 atoms
+  Time spent = 0.000169039 secs
+create_atoms 1 single 4.5 33.5 4
+Created 1 atoms
+  Time spent = 0.000178099 secs
+create_atoms 1 single 46 43 4
+Created 1 atoms
+  Time spent = 0.000175953 secs
+create_atoms 1 single 42.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 4.5 10.5 4
+Created 1 atoms
+  Time spent = 0.000175953 secs
+create_atoms 1 single 33.5 15.5 4
+Created 1 atoms
+  Time spent = 0.000158787 secs
+create_atoms 1 single 24 5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 13 16 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 16.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000160933 secs
+create_atoms 1 single 45.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000159025 secs
+create_atoms 1 single 44.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 27.5 46.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 44.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 12 41 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 6 4 4
+Created 1 atoms
+  Time spent = 0.0001688 secs
+create_atoms 1 single 31.5 10.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 1 44 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 31 4 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 21 33 4
+Created 1 atoms
+  Time spent = 0.000172138 secs
+create_atoms 1 single 3 33 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 15 10 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 28.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000161886 secs
+create_atoms 1 single 43 1 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 3.5 0.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 41 37 4
+Created 1 atoms
+  Time spent = 0.000160933 secs
+create_atoms 1 single 18.5 43.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 17 27 4
+Created 1 atoms
+  Time spent = 0.000159025 secs
+create_atoms 1 single 3 5 4
+Created 1 atoms
+  Time spent = 0.000161171 secs
+create_atoms 1 single 18.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 31.5 14.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 41 31 4
+Created 1 atoms
+  Time spent = 0.000159979 secs
+create_atoms 1 single 22 3 4
+Created 1 atoms
+  Time spent = 0.000158787 secs
+create_atoms 1 single 14.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 9 38 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 36 42 4
+Created 1 atoms
+  Time spent = 0.000170231 secs
+create_atoms 1 single 33 22 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 15.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000162125 secs
+create_atoms 1 single 3 0 4
+Created 1 atoms
+  Time spent = 0.000157118 secs
+create_atoms 1 single 25.5 27.5 4
+Created 1 atoms
+  Time spent = 0.000159025 secs
+create_atoms 1 single 2.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 29.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000160933 secs
+create_atoms 1 single 44.5 18.5 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 26 40 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 41 27 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 39.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000167847 secs
+create_atoms 1 single 3 38 4
+Created 1 atoms
+  Time spent = 0.000156164 secs
+create_atoms 1 single 35 29 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 11 19 4
+Created 1 atoms
+  Time spent = 0.000164032 secs
+create_atoms 1 single 18 1 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 39.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000157118 secs
+create_atoms 1 single 46 17 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 1.5 23.5 4
+Created 1 atoms
+  Time spent = 0.00015521 secs
+create_atoms 1 single 28.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 10 28 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 19 47 4
+Created 1 atoms
+  Time spent = 0.000159979 secs
+create_atoms 1 single 10.5 16.5 4
+Created 1 atoms
+  Time spent = 0.000163078 secs
+create_atoms 1 single 38 45 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 42.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000159025 secs
+create_atoms 1 single 47.5 42.5 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 38 7 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 10 44 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 29.5 27.5 4
+Created 1 atoms
+  Time spent = 0.000159025 secs
+create_atoms 1 single 45 30 4
+Created 1 atoms
+  Time spent = 0.000172138 secs
+create_atoms 1 single 3 9 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 8.5 35.5 4
+Created 1 atoms
+  Time spent = 0.000148058 secs
+create_atoms 1 single 24 44 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 47 4 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 7.5 8.5 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 32.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 0.5 34.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 11 8 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 2 40 4
+Created 1 atoms
+  Time spent = 0.000148058 secs
+create_atoms 1 single 25 24 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 47.5 6.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 39.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 17 21 4
+Created 1 atoms
+  Time spent = 0.000150919 secs
+create_atoms 1 single 32 43 4
+Created 1 atoms
+  Time spent = 0.000149012 secs
+create_atoms 1 single 16.5 29.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 34 34 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 11.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000148058 secs
+create_atoms 1 single 39 22 4
+Created 1 atoms
+  Time spent = 0.000148058 secs
+create_atoms 1 single 24.5 36.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 33 31 4
+Created 1 atoms
+  Time spent = 0.000149965 secs
+create_atoms 1 single 35.5 35.5 4
+Created 1 atoms
+  Time spent = 0.000185966 secs
+create_atoms 1 single 14.5 34.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 34 28 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 37 41 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 33 46 4
+Created 1 atoms
+  Time spent = 0.000149965 secs
+create_atoms 1 single 27.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000149965 secs
+create_atoms 1 single 40.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000148773 secs
+create_atoms 1 single 27.5 1.5 4
+Created 1 atoms
+  Time spent = 0.00014782 secs
+create_atoms 1 single 12 2 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 36 43 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 28.5 9.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 20.5 25.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 3 3 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 38 33 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 3 20 4
+Created 1 atoms
+  Time spent = 0.000149012 secs
+create_atoms 1 single 35 11 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 5 25 4
+Created 1 atoms
+  Time spent = 0.00014782 secs
+create_atoms 1 single 36.5 6.5 4
+Created 1 atoms
+  Time spent = 0.000152111 secs
+create_atoms 1 single 19.5 24.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 27 41 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 39.5 11.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 21.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000152111 secs
+create_atoms 1 single 46.5 15.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 13 24 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 11 37 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 11.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000158787 secs
+create_atoms 1 single 47 0 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 25.5 17.5 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 32 11 4
+Created 1 atoms
+  Time spent = 0.000149012 secs
+create_atoms 1 single 8 17 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 27.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 25 7 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 25.5 37.5 4
+Created 1 atoms
+  Time spent = 0.000161886 secs
+create_atoms 1 single 12 15 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 1 7 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 18.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000162125 secs
+create_atoms 1 single 5 38 4
+Created 1 atoms
+  Time spent = 0.000145197 secs
+create_atoms 1 single 42 19 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 30.5 7.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 42.5 7.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 26.5 18.5 4
+Created 1 atoms
+  Time spent = 0.000150919 secs
+create_atoms 1 single 18.5 1.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 41.5 10.5 4
+Created 1 atoms
+  Time spent = 0.000151873 secs
+
+# define frozen substrate and mobile atoms
+
+region          base block INF INF INF INF 0 1.8
+set             region base type 2
+  18432 settings made for type
+group           base type 2
+18432 atoms in group base
+group           mobile type 1
+18616 atoms in group mobile
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 400.0 1.0 826626413 zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
+
+# thermal equilibration
+
+run             1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 12
+  binsize = 3.03792, bins = 62 62 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.359 | 3.359 | 3.36 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -206220.22            0   -206220.22   -52155.664 
+     100    188.18127   -206044.43            0   -205591.63    -25068.83 
+     200    274.34464   -205860.78            0   -205200.66   -40191.797 
+     300    325.66286   -205750.01            0    -204966.4   -31510.222 
+     400    352.48242   -205675.42            0   -204827.28   -35058.064 
+     500    370.88571   -205619.66            0   -204727.25   -32735.022 
+     600    388.62129   -205592.87            0   -204657.78   -33904.556 
+     700    389.54874   -205579.73            0    -204642.4   -32769.852 
+     800    395.56074   -205576.82            0   -204625.03   -33755.948 
+     900    398.03458   -205564.48            0   -204606.74   -32777.103 
+    1000    401.24089   -205562.85            0    -204597.4   -33785.341 
+Loop time of 4.22555 on 16 procs for 1000 steps with 37048 atoms
+
+Performance: 102.235 ns/day, 0.235 hours/ns, 236.655 timesteps/s
+98.5% CPU use with 16 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.2988     | 3.3283     | 3.3788     |   1.5 | 78.77
+Neigh   | 0.22391    | 0.23756    | 0.28119    |   2.7 |  5.62
+Comm    | 0.31341    | 0.3888     | 0.49372    |   8.0 |  9.20
+Output  | 0.00041842 | 0.00042947 | 0.00048399 |   0.0 |  0.01
+Modify  | 0.17166    | 0.2512     | 0.35242    |   9.5 |  5.94
+Other   |            | 0.0193     |            |       |  0.46
+
+Nlocal:    2315.5 ave 2332 max 2297 min
+Histogram: 2 0 0 3 4 0 2 1 2 2
+Nghost:    3186.31 ave 3205 max 3170 min
+Histogram: 2 1 3 0 2 3 2 1 0 2
+Neighs:    55590.9 ave 56174 max 55103 min
+Histogram: 2 2 1 1 4 1 3 0 0 2
+
+Total # of neighbors = 889454
+Ave neighs/atom = 24.0082
+Neighbor list builds = 105
+Dangerous builds = 0
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+compute         event all event/displace 1.1
+
+# hyper/local
+
+fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 4000.0
+
+# thermo output
+
+thermo_style    custom step temp pe f_HL f_HL[*]
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
+
+thermo          ${nevent}
+thermo          100
+
+# dump
+
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
+
+dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
+
+# test of histogramming and dump output of bias coeffs
+
+#fix            histo all ave/histo 10 100 1000 0.9 1.1 100 f_HL #               mode vector kind local file tmp.histo
+#dump           2 all local 1000 tmp.local f_HL
+
+# run
+
+hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1
+WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 12
+  binsize = 3.03792, bins = 62 62 7
+  3 neighbor lists, perpetual/occasional/extra = 1 2 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix hyper/local, occasional
+      attributes: full, newton on, cut 10
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (3) fix hyper/local, occasional, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 6.941 | 6.942 | 6.942 Mbytes
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+       0    401.24089   -205562.85            0            0            0            1            0            0            0            0            0            0            0        1e+20            0            0            0            0            0            0            0            0            0            0 
+      77    401.24089   -206534.96            0            0            0            1            0            0            0            0            0            0            0        1e+20            0            0            0            0            0            0         1540            0            0            0 
+Loop time of 0.51152 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+       0    401.24089   -205562.85    24.755808           79   0.18753621            0    6.0138739    705.15041    3.5350432            0            0            0            0        1e+20            0            0            0            0            0            0            0            0            0            0 
+     100     400.6027   -205547.79    21.854739           92   0.43709939   0.99825259    6.0138739    705.15041     4.230764        92.74   0.03245633 0.0067931852   0.99890138   0.98969319    1.0024404            0            0            0            0            0         2000            0            0            0 
+Loop time of 0.453073 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     100     400.6027   -205547.79    21.854739           92   0.43709939   0.99825259    6.0138739    705.15041     4.230764        92.74   0.03245633 0.0067931852   0.99890138   0.98969319    1.0024404            0            0            0            0            0         2000            0            0            0 
+     177     400.6027   -206534.96    21.854739           92   0.43709939   0.99825259    6.0138739    705.15041     4.230764     52.39548   0.03245633 0.0067931852   0.56435106   0.98969319    1.0024404            0            0            0            0            0         3540            0            0            0 
+Loop time of 0.494676 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     100     400.6027   -205547.79    21.854339           92   0.43709939   0.99825259    6.0138739    705.15041     4.230764        92.74   0.03245633 0.0067931852   0.99890138   0.98969319    1.0024404            0            0            0            0            0         2000            0            0            0 
+     200    400.46944    -205544.7    23.349576           97   0.33740983   0.99723256    6.0138739    705.15041     4.230764       92.525  0.040097271 0.0058362605   0.99830632   0.98259113    1.0048777            0            0            0            0            0         4000            0            0            0 
+Loop time of 0.450918 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     200    400.46944    -205544.7    23.349576           97   0.33740983   0.99723256    6.0138739    705.15041     4.230764       92.525  0.040097271 0.0058362605   0.99830632   0.98259113    1.0048777            0            0            0            0            0         4000            0            0            0 
+     273    400.46944   -206534.96    23.349576           97   0.33740983   0.99723256    6.0138739    705.15041     4.230764    67.783883  0.040097271 0.0058362605   0.73135994   0.98259113    1.0048777            0            0            0            0            0         5460            0            0            0 
+Loop time of 0.488918 on 16 procs for 73 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     200    400.46944    -205544.7    23.349184           97   0.33740983   0.99723256    6.0138739    705.15041     4.230764       92.525  0.040097271 0.0058362605   0.99830632   0.98259113    1.0048777            0            0            0            0            0         4000            0            0            0 
+     300    396.89568   -205540.38    19.394419           94   0.35022551   0.99673595    6.0138739    705.15041     4.230764    93.376667  0.047799236 0.0063898904   0.99785232   0.97756247    1.0073497            0            0            0            0            0         6000            0            0            0 
+Loop time of 0.45579 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     300    396.89568   -205540.38    19.394419           94   0.35022551   0.99673595    6.0138739    705.15041     4.230764    93.376667  0.047799236 0.0063898904   0.99785232   0.97756247    1.0073497            0            0            0            0            0         6000            0            0            0 
+     373    396.89568   -206534.96    19.394419           94   0.35022551   0.99673595    6.0138739    705.15041     4.230764    75.101877  0.047799236 0.0063898904   0.80256219   0.97756247    1.0073497            0            0            0            0            0         7460            0            0            0 
+Loop time of 0.49254 on 16 procs for 73 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     300    396.89568   -205540.38    19.394206           94   0.35022551   0.99673595    6.0138739    705.15041     4.230764    93.376667  0.047799236 0.0063898904   0.99785232   0.97756247    1.0073497            0            0            0            0            0         6000            0            0            0 
+     400     399.1218   -205541.68    18.990804           94    0.3505205   0.99638391    6.0138739    705.15041     4.230764      93.3775  0.055982437 0.0068271264   0.99752641   0.97044214    1.0098482            0            0            0            0            0         8000            0            0            0 
+Loop time of 0.452751 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     400     399.1218   -205541.68    18.990804           94    0.3505205   0.99638391    6.0138739    705.15041     4.230764      93.3775  0.055982437 0.0068271264   0.99752641   0.97044214    1.0098482            0            0            0            0            0         8000            0            0            0 
+     475     399.1218   -206534.96    18.990804           94    0.3505205   0.99638391    6.0138739    705.15041     4.230764    78.633684  0.055982437 0.0068271264   0.84002224   0.97044214    1.0098482            0            0            0            0            0         9500            0            0            0 
+Loop time of 0.4963 on 16 procs for 75 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     400     399.1218   -205541.68    18.990689           94    0.3505205   0.99638391    6.0138739    705.15041     4.230764      93.3775  0.055982437 0.0068271264   0.99752641   0.97044214    1.0098482            0            0            0            0            0         8000            0            0            0 
+     500    399.61667   -205539.79    19.794362           99   0.33740217   0.99633812    6.0138739    705.15041     4.230764       93.222  0.063096694 0.0076591363   0.99729174   0.96745199    1.0123163            0            0            0            0            0        10000            0            0            0 
+Loop time of 0.45226 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     500    399.61667   -205539.79    19.794362           99   0.33740217   0.99633812    6.0138739    705.15041     4.230764       93.222  0.063096694 0.0076591363   0.99729174   0.96745199    1.0123163            0            0            0            0            0        10000            0            0            0 
+     577    399.61667   -206534.96    19.794362           99   0.33740217   0.99633812    6.0138739    705.15041     4.230764    80.781629  0.063096694 0.0076591363   0.86420428   0.96745199    1.0123163            0            0            0            0            0        11540            0            0            0 
+Loop time of 0.518479 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     500    399.61667   -205539.79     19.79402           99   0.33740217   0.99633812    6.0138739    705.15041     4.230764       93.222  0.063096694 0.0076591363   0.99729174   0.96745199    1.0123163            0            0            0            0            0        10000            0            0            0 
+     600    397.41676   -205529.51    20.336863           99   0.35185916   0.99625666    6.0138739    705.15041     4.230764    93.621667  0.066686842 0.0091859078   0.99712746   0.96713729    1.0148143            0            0            0            0            0        12000            0            0            0 
+Loop time of 0.452059 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     600    397.41676   -205529.51    20.336863           99   0.35185916   0.99625666    6.0138739    705.15041     4.230764    93.621667  0.066686842 0.0091859078   0.99712746   0.96713729    1.0148143            0            0            0            0            0        12000            0            0            0 
+     677    397.41676   -206534.96    20.336863           99   0.35185916   0.99625666    6.0138739    705.15041     4.230764    82.973412  0.066686842 0.0091859078    0.8837171   0.96713729    1.0148143            0            0            0            0            0        13540            0            0            0 
+Loop time of 0.5171 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     600    397.41676   -205529.51    20.336526           99   0.35185916   0.99625666    6.0138739    705.15041     4.230764    93.621667  0.066686842 0.0091859078   0.99712746   0.96713729    1.0148143            0            0            0            0            0        12000            0            0            0 
+     700    403.33442   -205550.89    18.955866           93   0.42542334   0.99592297    6.0138739    705.15041     4.230764    94.135714  0.068078003 0.0094089081   0.99698101    0.9641519    1.0173022            0            0            0            0            0        14000            0            0            0 
+Loop time of 0.450117 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     700    403.33442   -205550.89    18.955866           93   0.42542334   0.99592297    6.0138739    705.15041     4.230764    94.135714  0.068078003 0.0094089081   0.99698101    0.9641519    1.0173022            0            0            0            0            0        14000            0            0            0 
+     783    403.33442   -206534.96    18.955866           93   0.42542334   0.99592297    6.0138739    705.15041     4.230764    84.157088  0.068078003 0.0094089081   0.89129847    0.9641519    1.0173022            0            0            0            0            0        15660            0            0            0 
+Loop time of 0.541959 on 16 procs for 83 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     700    403.33442   -205550.89    18.955589           93   0.42542334   0.99592297    6.0138739    705.15041     4.230764    94.135714  0.068078003 0.0094089081   0.99698101    0.9641519    1.0173022            0            0            0            0            0        14000            0            0            0 
+     800     397.5897   -205530.58    19.298375           97   0.42432974   0.99573055    6.0138739    705.15041    4.2562861     94.69125  0.070492258 0.0098477948   0.99683461   0.96199283    1.0198015            0            0            0            0            0        16000            0            0            0 
+Loop time of 0.454322 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     800     397.5897   -205530.58    19.298375           97   0.42432974   0.99573055    6.0138739    705.15041    4.2562861     94.69125  0.070492258 0.0098477948   0.99683461   0.96199283    1.0198015            0            0            0            0            0        16000            0            0            0 
+     877     397.5897   -206534.96    19.298375           97   0.42432974   0.99573055    6.0138739    705.15041    4.2562861    86.377423  0.070492258 0.0098477948   0.90931322   0.96199283    1.0198015            0            0            0            0            0        17540            0            0            0 
+Loop time of 0.502899 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     800     397.5897   -205530.58     19.29822           97   0.42432974   0.99573055    6.0138739    705.15041    4.2562861     94.69125  0.070492258 0.0098477948   0.99683461   0.96199283    1.0198015            0            0            0            0            0        16000            0            0            0 
+     900    402.04231   -205545.55    18.434766           91   0.34927854   0.99563819    6.0138739    705.15041    4.2562861    94.956667  0.072594517 0.0091737752   0.99670822   0.95723843    1.0223007            0            0            0            0            0        18000            0            0            0 
+Loop time of 0.451618 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     900    402.04231   -205545.55    18.434766           91   0.34927854   0.99563819    6.0138739    705.15041    4.2562861    94.956667  0.072594517 0.0091737752   0.99670822   0.95723843    1.0223007            0            0            0            0            0        18000            0            0            0 
+     976    402.04231   -206534.96    18.434766           91   0.34927854   0.99563819    6.0138739    705.15041    4.2562861      87.5625  0.072594517 0.0091737752   0.91909569   0.95723843    1.0223007            0            0            0            0            0        19520            0            0            0 
+Loop time of 0.493429 on 16 procs for 76 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+     900    402.04231   -205545.55    18.434576           91   0.34927854   0.99563819    6.0138739    705.15041    4.2562861    94.956667  0.072594517 0.0091737752   0.99670822   0.95723843    1.0223007            0            0            0            0            0        18000            0            0            0 
+    1000    403.13682   -205538.62    20.371378          100   0.36854432   0.99555559    6.0138739    705.15041    4.2562861       94.973  0.075589904 0.0088025018   0.99659567   0.95567008    1.0247999            0            0            0            0            0        20000            0            0            0 
+Loop time of 0.452482 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1000    403.13682   -205538.62    20.371378          100   0.36854432   0.99555559    6.0138739    705.15041    4.2562861       94.973  0.075589904 0.0088025018   0.99659567   0.95567008    1.0247999            0            0            0            0            0        20000            0            0            0 
+    1081    403.13682   -206534.96    20.371378          100   0.36854432   0.99555559    6.0138739    705.15041    4.2562861    87.856614  0.075589904 0.0088025018   0.92192014   0.95567008    1.0247999            0            0            0            0            0        21620            0            0            0 
+Loop time of 0.521678 on 16 procs for 81 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1000    403.13682   -205538.62    20.371013          100   0.36854432   0.99555559    6.0138739    705.15041    4.2562861       94.973  0.075589904 0.0088025018   0.99659567   0.95567008    1.0247999            0            0            0            0            0        20000            0            0            0 
+    1100    401.64961   -205531.15    16.838899           93   0.37998317   0.99541314    6.0138739    705.15041    4.2562861    95.323636  0.077697032 0.0088979171   0.99649521   0.95206312    1.0272987            0            0            0            0            0        22000            0            0            0 
+Loop time of 0.452415 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1100    401.64961   -205531.15    16.838899           93   0.37998317   0.99541314    6.0138739    705.15041    4.2562861    95.323636  0.077697032 0.0088979171   0.99649521   0.95206312    1.0272987            0            0            0            0            0        22000            0            0            0 
+    1179    401.64961   -206534.96    16.838899           93   0.37998317   0.99541314    6.0138739    705.15041    4.2562861    88.936387  0.077697032 0.0088979171   0.92972412   0.95206312    1.0272987            0            0            0            0            0        23580            0            0            0 
+Loop time of 0.50337 on 16 procs for 79 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1100    401.64961   -205531.15    16.838708           93   0.37998317   0.99541314    6.0138739    705.15041    4.2562861    95.323636  0.077697032 0.0088979171   0.99649521   0.95206312    1.0272987            0            0            0            0            0        22000            0            0            0 
+    1200    400.40964   -205539.37    19.135216           99   0.67128843   0.99558682    6.0138739    705.15041    4.6317552       95.505  0.080458266 0.0085684868   0.99641317   0.95050066     1.029798            0            0            0            0            0        24000            0            0            0 
+Loop time of 0.44891 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1200    400.40964   -205539.37    19.135216           99   0.67128843   0.99558682    6.0138739    705.15041    4.6317552       95.505  0.080458266 0.0085684868   0.99641317   0.95050066     1.029798            0            0            0            0            0        24000            0            0            0 
+    1276    400.40964   -206534.97    19.135216           99   0.67128843   0.99558682    6.0138739    705.15041    4.6317552    89.816614  0.080458266 0.0085684868   0.93706567   0.95050066     1.029798            0            0            0            0            0        25520            0            0            0 
+Loop time of 0.508519 on 16 procs for 76 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1200    400.40964   -205539.37    19.448471          100   0.41040038   0.99558682    6.0138739      705.141    4.6317552       95.505  0.080458266 0.0085684868   0.99641317   0.95050066     1.029798    2.2953088            0            0            0            0        24000            1            2            6 
+    1300    401.71843      -205549     19.86411           94   0.31328255   0.99531422    6.0138739      705.141    4.6317552    95.636923  0.080786307 0.0080834567   0.99634504   0.95016182    1.0314365    2.2953088            0            0            0            0        26000            1            2            6 
+Loop time of 0.453256 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1300    401.71843      -205549     19.86411           94   0.31328255   0.99531422    6.0138739      705.141    4.6317552    95.636923  0.080786307 0.0080834567   0.99634504   0.95016182    1.0314365    2.2953088            0            0            0            0        26000            1            2            6 
+    1376    401.71843   -206534.97     19.86411           94   0.31328255   0.99531422    6.0138739      705.141    4.6317552    90.354651  0.080786307 0.0080834567   0.94131435   0.95016182    1.0314365    2.2953088            0            0            0            0        27520            1            2            6 
+Loop time of 0.502886 on 16 procs for 76 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1300    401.71843      -205549    19.863856           94   0.31328255   0.99531422    6.0138739      705.141    4.6317552    95.636923  0.080786307 0.0080834567   0.99634504   0.95016182    1.0314365    2.2953088            0            0            0            0        26000            1            2            6 
+    1400    397.79762   -205534.95    19.064761           90   0.33635396   0.99488167    6.0138739      705.141    4.6317552        95.55  0.080145025 0.0081557898   0.99625782   0.94925079    1.0339117    2.2953088            0            0            0            0        28000            1            2            6 
+Loop time of 0.453094 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1400    397.79762   -205534.95    19.064761           90   0.33635396   0.99488167    6.0138739      705.141    4.6317552        95.55  0.080145025 0.0081557898   0.99625782   0.94925079    1.0339117    2.2953088            0            0            0            0        28000            1            2            6 
+    1477    397.79762   -206534.97    19.064761           90   0.33635396   0.99488167    6.0138739      705.141    4.6317552     90.56872  0.080145025 0.0081557898   0.94432021   0.94925079    1.0339117    2.2953088            0            0            0            0        29540            1            2            6 
+Loop time of 0.515217 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1400    397.79762   -205534.95    19.064345           90   0.33635396   0.99488167    6.0138739      705.141    4.6317552        95.55  0.080145025 0.0081557898   0.99625782   0.94925079    1.0339117    2.2953088            0            0            0            0        28000            1            2            6 
+    1500    400.56079   -205539.86    18.860257           93   0.35488977   0.99467946    6.0138739      705.141    4.6317552    95.578667  0.080575861 0.0083561185   0.99615829   0.94636637    1.0355154    2.2953088            0            0            0            0        30000            1            2            6 
+Loop time of 0.450111 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] 
+    1500    400.56079   -205539.86    18.860257           93   0.35488977   0.99467946    6.0138739      705.141    4.6317552    95.578667  0.080575861 0.0083561185   0.99615829   0.94636637    1.0355154    2.2953088            0            0            0            0        30000            1            2            6 
+    1584    400.56079   -206534.97    18.860257           93   0.35488977   0.99467946    6.0138739      705.141    4.6317552    90.510101  0.080575861 0.0083561185   0.94333171   0.94636637    1.0355154    2.2953088            0            0            0            0        31680            1            2            6 
+Loop time of 0.566455 on 16 procs for 84 steps with 37048 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+  hyper time = 30000
+  time boost factor = 4000
+  event timesteps = 1
+  # of atoms in events = 2
+Quantities for this hyper run:
+  event timesteps = 1
+  # of atoms in events = 2
+  max length of any bond = 4.63176
+  max drift distance of any atom = 2.29531
+  fraction of biased bonds with zero bias = 0.0805759
+  fraction of biased bonds with negative strain = 0.00835612
+Current quantities:
+  ave bonds/atom = 6.01387
+Cummulative quantities specific to fix hyper/local:
+  # of new bonds formed = 6
+  max bonds/atom = 13
+Quantities for this hyper run specific to fix hyper/local:
+  ave biased bonds/step = 95.5787
+  ave bias coeff of all bonds = 0.996158
+  min bias coeff of any bond = 0.946366
+  max bias coeff of any bond = 1.03552
+  max dist from my subbox of any non-maxstrain bond ghost atom = 0
+  max dist from my box of any bond ghost atom = 0
+  count of bond ghost neighbors not found on reneighbor steps = 0
+  bias overlaps = 0
+  CPU time for bond builds = 0.0147002
+Current quantities specific to fix hyper/local:
+  neighbor bonds/bond = 705.141
+  ave boost coeff for all bonds = 0.994679
+
+Loop time of 14.9193 on 16 procs for 1500 steps with 37048 atoms
+
+Performance: 43.434 ns/day, 0.553 hours/ns, 100.541 timesteps/s
+128.3% CPU use with 16 MPI tasks x no OpenMP threads
+
+Hyper stats:
+  Dynamics time (%) = 6.78318 (45.4657)
+  Quench   time (%) = 7.66443 (51.3725)
+  Other    time (%) = 0.189889 (1.27277)
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 11.726     | 11.881     | 12.051     |   2.6 | 79.64
+Neigh   | 0.49995    | 0.52243    | 0.54427    |   1.9 |  3.50
+Comm    | 0.34477    | 0.51495    | 0.62326    |  10.4 |  3.45
+Output  | 0.0017493  | 0.0017652  | 0.0018535  |   0.1 |  0.01
+Modify  | 1.7669     | 1.8088     | 1.8523     |   1.7 | 12.12
+Other   |            | 0.1899     |            |       |  1.27
+
+Nlocal:    2315.5 ave 2353 max 2275 min
+Histogram: 1 1 1 3 0 2 5 2 0 1
+Nghost:    3187.62 ave 3228 max 3148 min
+Histogram: 1 0 2 4 2 2 1 3 0 1
+Neighs:    54002.8 ave 54567 max 53263 min
+Histogram: 1 0 2 1 3 2 2 1 1 3
+FullNghs:  542996 ave 554820 max 527895 min
+Histogram: 1 0 0 4 1 3 3 2 0 2
+
+Total # of neighbors = 8687932
+Ave neighs/atom = 234.505
+Neighbor list builds = 166
+Dangerous builds = 0
+Total wall time: 0:00:19
diff --git a/examples/kim/in.kim.lj.lmp b/examples/kim/in.kim.lj.lmp.newton-off
similarity index 77%
rename from examples/kim/in.kim.lj.lmp
rename to examples/kim/in.kim.lj.lmp.newton-off
index 8879024590c1caa6c821df49f3886d91e6ce7721..197755294ac2842cbc0c7f22ee22a6564cd7cac4 100644
--- a/examples/kim/in.kim.lj.lmp
+++ b/examples/kim/in.kim.lj.lmp.newton-off
@@ -10,6 +10,7 @@ variable	zz equal 20*$z
 
 units		metal
 atom_style	atomic
+newton          off
 
 lattice		fcc 4.4300
 region		box block 0 ${xx} 0 ${yy} 0 ${zz}
@@ -17,13 +18,12 @@ create_box	1 box
 create_atoms	1 box
 
 pair_style	lj/cut 8.1500
-pair_coeff	1 1 0.0031 2.7400
-pair_modify     shift yes
+pair_coeff	1 1 0.0104 3.4000
 
-#pair_style      kim KIMvirial ex_model_Ne_P_fastLJ
-#pair_coeff      * * Ne
+#pair_style      kim LennardJones_Ar
+#pair_coeff      * * Ar
 
-mass		1 20.18
+mass		1 39.95
 velocity	all create 200.0 232345 loop geom
 
 neighbor	0.3 bin
diff --git a/examples/kim/in.kim.lj b/examples/kim/in.kim.lj.lmp.newton-on
similarity index 73%
rename from examples/kim/in.kim.lj
rename to examples/kim/in.kim.lj.lmp.newton-on
index f33b258be8a47361982c4a6cf1a84ed7dbd7da84..f9f79e2bb2ea1dcf39ef2f7d7c81cefad34efa90 100644
--- a/examples/kim/in.kim.lj
+++ b/examples/kim/in.kim.lj.lmp.newton-on
@@ -10,20 +10,20 @@ variable	zz equal 20*$z
 
 units		metal
 atom_style	atomic
+newton          on
 
 lattice		fcc 4.4300
 region		box block 0 ${xx} 0 ${yy} 0 ${zz}
 create_box	1 box
 create_atoms	1 box
 
-#pair_style	lj/cut 8.1500
-#pair_coeff	1 1 0.0031 2.7400
-#pair_modify     shift yes
+pair_style	lj/cut 8.1500
+pair_coeff	1 1 0.0104 3.4000
 
-pair_style      kim KIMvirial ex_model_Ne_P_fastLJ
-pair_coeff      * * Ne
+#pair_style      kim LennardJones_Ar
+#pair_coeff      * * Ar
 
-mass		1 20.18
+mass		1 39.95
 velocity	all create 200.0 232345 loop geom
 
 neighbor	0.3 bin
diff --git a/examples/kim/in.kim.lj.newton-off b/examples/kim/in.kim.lj.newton-off
new file mode 100644
index 0000000000000000000000000000000000000000..82cf5ba602c2ce15632b9d51e1c5b1b360813182
--- /dev/null
+++ b/examples/kim/in.kim.lj.newton-off
@@ -0,0 +1,41 @@
+# 3d Lennard-Jones melt
+#
+# This example requires that the example models provided with
+# the kim-api package are installed.  see the ./lib/kim/README or
+# ./lib/kim/Install.py files for details on how to install these
+# example models.
+#
+
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
+
+units		metal
+atom_style	atomic
+newton          off
+
+lattice		fcc 4.4300
+region		box block 0 ${xx} 0 ${yy} 0 ${zz}
+create_box	1 box
+create_atoms	1 box
+
+#pair_style	lj/cut 8.1500
+#pair_coeff	1 1 0.0104 3.4000
+
+pair_style      kim LennardJones_Ar
+pair_coeff      * * Ar
+
+mass		1 39.95
+velocity	all create 200.0 232345 loop geom
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+#fix		1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0
+
+run 		100
diff --git a/examples/kim/in.kim.lj.newton-on b/examples/kim/in.kim.lj.newton-on
new file mode 100644
index 0000000000000000000000000000000000000000..3a95f1dbb018b40b1fe667976f6109fcad02a7aa
--- /dev/null
+++ b/examples/kim/in.kim.lj.newton-on
@@ -0,0 +1,41 @@
+# 3d Lennard-Jones melt
+#
+# This example requires that the example models provided with
+# the kim-api package are installed.  see the ./lib/kim/README or
+# ./lib/kim/Install.py files for details on how to install these
+# example models.
+#
+
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
+
+units		metal
+atom_style	atomic
+newton          on
+
+lattice		fcc 4.4300
+region		box block 0 ${xx} 0 ${yy} 0 ${zz}
+create_box	1 box
+create_atoms	1 box
+
+#pair_style	lj/cut 8.1500
+#pair_coeff	1 1 0.0104 3.4000
+
+pair_style      kim LennardJones_Ar
+pair_coeff      * * Ar
+
+mass		1 39.95
+velocity	all create 200.0 232345 loop geom
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+#fix		1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0
+
+run 		100
diff --git a/examples/kim/in.query b/examples/kim/in.query
new file mode 100644
index 0000000000000000000000000000000000000000..33272dc29892ffea6315d1785412deec500ab552
--- /dev/null
+++ b/examples/kim/in.query
@@ -0,0 +1,11 @@
+
+# example for performing a query to the OpenKIM test database to retrieve
+# a parameter to be used in the input. here it requests the aluminium
+# lattice constant for a specific test used for a specific model and then
+# assigns it to the variable 'latconst'
+
+units metal
+info variables out log
+kim_query latconst get_test_result test=TE_156715955670 species=["Al"] model=MO_800509458712 prop=structure-cubic-crystal-npt keys=["a"] units=["angstrom"]
+info variables out log
+lattice fcc ${latconst}
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.1 b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.1
new file mode 100644
index 0000000000000000000000000000000000000000..5925fd750da44be58c8baa168ede149ec8d5f13d
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.1
@@ -0,0 +1,55 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.004499 secs
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 20.37 | 20.37 | 20.37 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 2.92885 on 1 procs for 100 steps with 32000 atoms
+
+Performance: 2.950 ns/day, 8.136 hours/ns, 34.143 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5638     | 2.5638     | 2.5638     |   0.0 | 87.54
+Neigh   | 0.31935    | 0.31935    | 0.31935    |   0.0 | 10.90
+Comm    | 0.006833   | 0.006833   | 0.006833   |   0.0 |  0.23
+Output  | 0.000107   | 0.000107   | 0.000107   |   0.0 |  0.00
+Modify  | 0.027806   | 0.027806   | 0.027806   |   0.0 |  0.95
+Other   |            | 0.01091    |            |       |  0.37
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    19911 ave 19911 max 19911 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.3705e+06 ave 2.3705e+06 max 2.3705e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2370499
+Ave neighs/atom = 74.0781
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.4 b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.4
new file mode 100644
index 0000000000000000000000000000000000000000..c1ca108c7bcf5f07141409d97f028e8aad79ae8a
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-off.4
@@ -0,0 +1,55 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.001039 secs
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 8.013 | 8.013 | 8.013 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 0.778581 on 4 procs for 100 steps with 32000 atoms
+
+Performance: 11.097 ns/day, 2.163 hours/ns, 128.439 timesteps/s
+99.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.65171    | 0.65891    | 0.67656    |   1.3 | 84.63
+Neigh   | 0.07924    | 0.079548   | 0.07997    |   0.1 | 10.22
+Comm    | 0.006755   | 0.0069015  | 0.007072   |   0.2 |  0.89
+Output  | 4.6e-05    | 9.725e-05  | 0.000203   |   0.0 |  0.01
+Modify  | 0.006841   | 0.006941   | 0.007015   |   0.1 |  0.89
+Other   |            | 0.02618    |            |       |  3.36
+
+Nlocal:    8000 ave 8018 max 7967 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    9131 ave 9164 max 9113 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+Neighs:    630904 ave 632094 max 628209 min
+Histogram: 1 0 0 0 0 0 0 1 0 2
+
+Total # of neighbors = 2523614
+Ave neighs/atom = 78.8629
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.1 b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.1
new file mode 100644
index 0000000000000000000000000000000000000000..53555743d76f0f15947790f8d5ecaf37d70422bc
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.1
@@ -0,0 +1,55 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.003479 secs
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 19.23 | 19.23 | 19.23 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 2.17978 on 1 procs for 100 steps with 32000 atoms
+
+Performance: 3.964 ns/day, 6.055 hours/ns, 45.876 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.9892     | 1.9892     | 1.9892     |   0.0 | 91.26
+Neigh   | 0.14506    | 0.14506    | 0.14506    |   0.0 |  6.65
+Comm    | 0.011049   | 0.011049   | 0.011049   |   0.0 |  0.51
+Output  | 9.1e-05    | 9.1e-05    | 9.1e-05    |   0.0 |  0.00
+Modify  | 0.02347    | 0.02347    | 0.02347    |   0.0 |  1.08
+Other   |            | 0.01094    |            |       |  0.50
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    19911 ave 19911 max 19911 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.12688e+06 ave 2.12688e+06 max 2.12688e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2126875
+Ave neighs/atom = 66.4648
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.4 b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.4
new file mode 100644
index 0000000000000000000000000000000000000000..f0fdf661939b47169279fe7aba73ad3d2f8bcd75
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.lmp.newton-on.4
@@ -0,0 +1,55 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.000919 secs
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 7.632 | 7.632 | 7.632 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 0.63515 on 4 procs for 100 steps with 32000 atoms
+
+Performance: 13.603 ns/day, 1.764 hours/ns, 157.443 timesteps/s
+99.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.55365    | 0.5566     | 0.55868    |   0.2 | 87.63
+Neigh   | 0.041495   | 0.0418     | 0.04211    |   0.1 |  6.58
+Comm    | 0.019086   | 0.021075   | 0.023898   |   1.2 |  3.32
+Output  | 4.4e-05    | 5.025e-05  | 6e-05      |   0.0 |  0.01
+Modify  | 0.009315   | 0.0093595  | 0.009422   |   0.0 |  1.47
+Other   |            | 0.006263   |            |       |  0.99
+
+Nlocal:    8000 ave 8018 max 7967 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    9131 ave 9164 max 9113 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+Neighs:    531719 ave 533273 max 529395 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+
+Total # of neighbors = 2126875
+Ave neighs/atom = 66.4648
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.newton-off.1 b/examples/kim/log.06Feb2019.in.kim.lj.newton-off.1
new file mode 100644
index 0000000000000000000000000000000000000000..0ab258fe0de389fc9dfa8d915e0689634d8c4a2f
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.newton-off.1
@@ -0,0 +1,59 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.003446 secs
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair kim, perpetual
+      attributes: full, newton off, cut 8.45
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 28.51 | 28.51 | 28.51 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 3.01669 on 1 procs for 100 steps with 32000 atoms
+
+Performance: 2.864 ns/day, 8.380 hours/ns, 33.149 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.6562     | 2.6562     | 2.6562     |   0.0 | 88.05
+Neigh   | 0.31903    | 0.31903    | 0.31903    |   0.0 | 10.58
+Comm    | 0.00634    | 0.00634    | 0.00634    |   0.0 |  0.21
+Output  | 9.1e-05    | 9.1e-05    | 9.1e-05    |   0.0 |  0.00
+Modify  | 0.024723   | 0.024723   | 0.024723   |   0.0 |  0.82
+Other   |            | 0.01032    |            |       |  0.34
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    19911 ave 19911 max 19911 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  4.25375e+06 ave 4.25375e+06 max 4.25375e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 4253750
+Ave neighs/atom = 132.93
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.newton-off.4 b/examples/kim/log.06Feb2019.in.kim.lj.newton-off.4
new file mode 100644
index 0000000000000000000000000000000000000000..c17ea6afb709834c385bd56763e396ba45fd2378
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.newton-off.4
@@ -0,0 +1,65 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.000921 secs
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair kim, perpetual
+      attributes: full, newton off, cut 8.45
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 10.05 | 10.05 | 10.05 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 0.890192 on 4 procs for 100 steps with 32000 atoms
+
+Performance: 9.706 ns/day, 2.473 hours/ns, 112.335 timesteps/s
+99.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.77867    | 0.77906    | 0.7794     |   0.0 | 87.52
+Neigh   | 0.087831   | 0.088176   | 0.088805   |   0.1 |  9.91
+Comm    | 0.006358   | 0.0065898  | 0.006815   |   0.3 |  0.74
+Output  | 4.9e-05    | 5.975e-05  | 6.8e-05    |   0.0 |  0.01
+Modify  | 0.010265   | 0.010429   | 0.010678   |   0.2 |  1.17
+Other   |            | 0.005874   |            |       |  0.66
+
+Nlocal:    8000 ave 8018 max 7967 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    9131 ave 9164 max 9113 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  1.06344e+06 ave 1.06594e+06 max 1.05881e+06 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+
+Total # of neighbors = 4253750
+Ave neighs/atom = 132.93
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.newton-on.1 b/examples/kim/log.06Feb2019.in.kim.lj.newton-on.1
new file mode 100644
index 0000000000000000000000000000000000000000..59d018e12a59a8e65219926a6eb17dfb291f91e2
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.newton-on.1
@@ -0,0 +1,59 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.003089 secs
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair kim, perpetual
+      attributes: full, newton off, cut 8.45
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 28.12 | 28.12 | 28.12 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 3.05849 on 1 procs for 100 steps with 32000 atoms
+
+Performance: 2.825 ns/day, 8.496 hours/ns, 32.696 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.6786     | 2.6786     | 2.6786     |   0.0 | 87.58
+Neigh   | 0.33105    | 0.33105    | 0.33105    |   0.0 | 10.82
+Comm    | 0.012602   | 0.012602   | 0.012602   |   0.0 |  0.41
+Output  | 9.5e-05    | 9.5e-05    | 9.5e-05    |   0.0 |  0.00
+Modify  | 0.024858   | 0.024858   | 0.024858   |   0.0 |  0.81
+Other   |            | 0.01132    |            |       |  0.37
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    19911 ave 19911 max 19911 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  4.25375e+06 ave 4.25375e+06 max 4.25375e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 4253750
+Ave neighs/atom = 132.93
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/kim/log.06Feb2019.in.kim.lj.newton-on.4 b/examples/kim/log.06Feb2019.in.kim.lj.newton-on.4
new file mode 100644
index 0000000000000000000000000000000000000000..da8c9f0faaa4683ff742b7eda06820dc0ca77e84
--- /dev/null
+++ b/examples/kim/log.06Feb2019.in.kim.lj.newton-on.4
@@ -0,0 +1,65 @@
+LAMMPS (1 Feb 2019)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+  Time spent = 0.000893 secs
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (src/KIM/pair_kim.cpp:1097)
+WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1102)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 8.45
+  ghost atom cutoff = 8.45
+  binsize = 4.225, bins = 21 21 21
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair kim, perpetual
+      attributes: full, newton off, cut 8.45
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Setting up Verlet run ...
+  Unit style    : metal
+  Current step  : 0
+  Time step     : 0.001
+Per MPI rank memory allocation (min/avg/max) = 9.789 | 9.789 | 9.789 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200    6290.8194            0    7118.0584    129712.25 
+     100    95.179725     6718.814            0     7112.496    133346.59 
+Loop time of 0.903182 on 4 procs for 100 steps with 32000 atoms
+
+Performance: 9.566 ns/day, 2.509 hours/ns, 110.720 timesteps/s
+99.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.76173    | 0.76349    | 0.76597    |   0.2 | 84.53
+Neigh   | 0.088773   | 0.088938   | 0.089074   |   0.0 |  9.85
+Comm    | 0.032018   | 0.03452    | 0.03638    |   0.9 |  3.82
+Output  | 4e-05      | 4.425e-05  | 5.2e-05    |   0.0 |  0.00
+Modify  | 0.009278   | 0.0093917  | 0.009528   |   0.1 |  1.04
+Other   |            | 0.006797   |            |       |  0.75
+
+Nlocal:    8000 ave 8018 max 7967 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    9131 ave 9164 max 9113 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  1.06344e+06 ave 1.06594e+06 max 1.05881e+06 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+
+Total # of neighbors = 4253750
+Ave neighs/atom = 132.93
+Neighbor list builds = 3
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/kim/log.22Mar2019.query.g++.1 b/examples/kim/log.22Mar2019.query.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..034bb13bbacc1b67fa4f13bc5e2549494dbece38
--- /dev/null
+++ b/examples/kim/log.22Mar2019.query.g++.1
@@ -0,0 +1,34 @@
+LAMMPS (28 Feb 2019)
+
+# example for performing a query to the OpenKIM test database to retrieve
+# a parameter to be used in the input. here it requests the aluminium
+# lattice constant for a specific test used for a specific model and then
+# assigns it to the variable 'latconst'
+
+units metal
+info variables out log
+
+Info-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info
+Printed on Fri Mar 22 20:00:56 2019
+
+
+Variable information:
+
+Info-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info
+
+kim_query latconst get_test_result test=TE_156715955670 species=["Al"] model=MO_800509458712 prop=structure-cubic-crystal-npt keys=["a"] units=["angstrom"]
+info variables out log
+
+Info-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info
+Printed on Fri Mar 22 20:00:57 2019
+
+
+Variable information:
+Variable[  0]: latconst  ,  style = string    ,  def = 4.03208274841
+
+Info-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info
+
+lattice fcc ${latconst}
+lattice fcc 4.03208274841
+Lattice spacing in x,y,z = 4.03208 4.03208 4.03208
+Total wall time: 0:00:00
diff --git a/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.1 b/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.1
deleted file mode 100644
index efae0587a12a0744ff8b73f47f5e486dba393bc4..0000000000000000000000000000000000000000
--- a/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.1
+++ /dev/null
@@ -1,33 +0,0 @@
-LAMMPS (15 May 2015)
-Lattice spacing in x,y,z = 4.43 4.43 4.43
-Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
-  1 by 1 by 1 MPI processor grid
-Created 32000 atoms
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  master list distance cutoff = 8.45
-Setting up run ...
-Memory usage per processor = 9.18789 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          200   -741.55469            0    85.684388   -34.939092 
-     100    108.37517   -362.56658            0    85.694308    3963.7892 
-Loop time of 2.95205 on 1 procs for 100 steps with 32000 atoms
-
-Pair  time (%) = 2.52074 (85.3894)
-Neigh time (%) = 0.347949 (11.7867)
-Comm  time (%) = 0.0228171 (0.772925)
-Outpt time (%) = 0.000188828 (0.00639649)
-Other time (%) = 0.0603588 (2.04464)
-
-Nlocal:    32000 ave 32000 max 32000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    20131 ave 20131 max 20131 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1.88909e+06 ave 1.88909e+06 max 1.88909e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1889091
-Ave neighs/atom = 59.0341
-Neighbor list builds = 5
-Dangerous builds = 0
diff --git a/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.4 b/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.4
deleted file mode 100644
index 12c1c766951e162535d251830b5e0956d7451dc1..0000000000000000000000000000000000000000
--- a/examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.4
+++ /dev/null
@@ -1,33 +0,0 @@
-LAMMPS (15 May 2015)
-Lattice spacing in x,y,z = 4.43 4.43 4.43
-Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
-  1 by 2 by 2 MPI processor grid
-Created 32000 atoms
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  master list distance cutoff = 8.45
-Setting up run ...
-Memory usage per processor = 4.58461 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          200   -741.55469            0    85.684388   -34.939092 
-     100    108.37517   -362.56658            0    85.694308    3963.7892 
-Loop time of 6.15911 on 4 procs for 100 steps with 32000 atoms
-
-Pair  time (%) = 1.76201 (28.6083)
-Neigh time (%) = 0.265002 (4.30261)
-Comm  time (%) = 3.64452 (59.1729)
-Outpt time (%) = 0.0169877 (0.275815)
-Other time (%) = 0.470582 (7.64042)
-
-Nlocal:    8000 ave 8010 max 7989 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Nghost:    9240.25 ave 9249 max 9228 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-Neighs:    472273 ave 473390 max 471652 min
-Histogram: 2 0 0 1 0 0 0 0 0 1
-
-Total # of neighbors = 1889091
-Ave neighs/atom = 59.0341
-Neighbor list builds = 5
-Dangerous builds = 0
diff --git a/examples/kim/log.28Jun15.kim.lj.ubuntu.1 b/examples/kim/log.28Jun15.kim.lj.ubuntu.1
deleted file mode 100644
index 95284453b1fc5d0065340a07d7b1ff3563676600..0000000000000000000000000000000000000000
--- a/examples/kim/log.28Jun15.kim.lj.ubuntu.1
+++ /dev/null
@@ -1,33 +0,0 @@
-LAMMPS (15 May 2015)
-Lattice spacing in x,y,z = 4.43 4.43 4.43
-Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
-  1 by 1 by 1 MPI processor grid
-Created 32000 atoms
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  master list distance cutoff = 8.45
-Setting up run ...
-Memory usage per processor = 9.43789 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          200   -741.55469            0    85.684388   -34.939092 
-     100    108.37517   -362.56658            0    85.694308    3963.7892 
-Loop time of 3.79746 on 1 procs for 100 steps with 32000 atoms
-
-Pair  time (%) = 3.18686 (83.9207)
-Neigh time (%) = 0.524724 (13.8178)
-Comm  time (%) = 0.0244031 (0.642616)
-Outpt time (%) = 0.000174046 (0.00458321)
-Other time (%) = 0.061305 (1.61437)
-
-Nlocal:    32000 ave 32000 max 32000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    20131 ave 20131 max 20131 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2092355
-Ave neighs/atom = 65.3861
-Neighbor list builds = 5
-Dangerous builds = 0
diff --git a/examples/kim/log.28Jun15.kim.lj.ubuntu.4 b/examples/kim/log.28Jun15.kim.lj.ubuntu.4
deleted file mode 100644
index 7eaf58aad41aa382f98220ebb575a9b18a2ec452..0000000000000000000000000000000000000000
--- a/examples/kim/log.28Jun15.kim.lj.ubuntu.4
+++ /dev/null
@@ -1,33 +0,0 @@
-LAMMPS (15 May 2015)
-Lattice spacing in x,y,z = 4.43 4.43 4.43
-Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
-  1 by 2 by 2 MPI processor grid
-Created 32000 atoms
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  master list distance cutoff = 8.45
-Setting up run ...
-Memory usage per processor = 4.70961 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          200   -741.55469            0    85.684388   -34.939092 
-     100    108.37517   -362.56658            0    85.694308    3963.7892 
-Loop time of 7.25305 on 4 procs for 100 steps with 32000 atoms
-
-Pair  time (%) = 2.52571 (34.8227)
-Neigh time (%) = 0.500287 (6.8976)
-Comm  time (%) = 3.70236 (51.0456)
-Outpt time (%) = 0.00146681 (0.0202234)
-Other time (%) = 0.523229 (7.21391)
-
-Nlocal:    8000 ave 8010 max 7989 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Nghost:    9240.25 ave 9249 max 9228 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-Neighs:    555266 ave 555920 max 554805 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 2221065
-Ave neighs/atom = 69.4083
-Neighbor list builds = 5
-Dangerous builds = 0
diff --git a/examples/micelle/data.micelle b/examples/micelle/data.micelle
index e4805bceeed53ad5c751c1f1620b5afce4824b97..5ff6196bc6ffbca7d784df198afcbaedcf6c9746 100644
--- a/examples/micelle/data.micelle
+++ b/examples/micelle/data.micelle
@@ -49,7 +49,7 @@
      22      0      1  25.100   0.000   0.000
      23      0      1  26.295   0.000   0.000
      24    110      2  27.490   0.000   0.000
-     25    128      2  28.685   0.000   0.000
+     25    128      2  28.685  35.85686 0.000
      26      0      1  29.881   0.000   0.000
      27      0      1  31.076   0.000   0.000
      28      0      1  32.271   0.000   0.000
@@ -175,7 +175,7 @@
     148      0      1  32.271   4.781   0.000
     149      0      1  33.466   4.781   0.000
     150      0      1  34.662   4.781   0.000
-    151     53      2   0.000   5.976   0.000
+    151     53      2 35.85686  5.976   0.000
     152      0      1   1.195   5.976   0.000
     153      0      1   2.390   5.976   0.000
     154      0      1   3.586   5.976   0.000
@@ -655,7 +655,7 @@
     628      0      1  32.271  23.905   0.000
     629      0      1  33.466  23.905   0.000
     630      0      1  34.662  23.905   0.000
-    631    148      2   0.000  25.100   0.000
+    631    148      2 35.85686 25.100   0.000
     632      0      1   1.195  25.100   0.000
     633      0      1   2.390  25.100   0.000
     634      0      1   3.586  25.100   0.000
@@ -976,7 +976,7 @@
     949     25      3   0.677  33.143   0.000
     950     25      4   1.353  32.819   0.000
     951     26      3  35.071  18.557   0.000
-    952     26      4  35.480  19.186   0.000
+    952     26      4 35.48000 19.186   0.000
     953     27      3  29.131  15.504   0.000
     954     27      4  28.382  15.470   0.000
     955     28      3  23.456  33.395   0.000
@@ -1096,7 +1096,7 @@
    1069     85      3  33.021  33.461   0.000
    1070     85      4  33.771  33.455   0.000
    1071     86      3   0.552  18.315   0.000
-   1072     86      4  35.766  18.701   0.000
+   1072     86      4 -0.09086 18.701   0.000
    1073     87      3  28.026  32.796   0.000
    1074     87      4  28.562  33.321   0.000
    1075     88      3  24.351  29.925   0.000
@@ -1112,7 +1112,7 @@
    1085     93      3  26.170  16.278   0.000
    1086     93      4  26.046  17.017   0.000
    1087     94      3  10.380   0.547   0.000
-   1088     94      4  10.003  35.755   0.000
+   1088     94      4  10.003 -0.10186  0.000
    1089     95      3   0.419  29.308   0.000
    1090     95      4   0.837  29.930   0.000
    1091     96      3  13.712  28.191   0.000
diff --git a/examples/micelle/in.micelle b/examples/micelle/in.micelle
index 2abdd18734c2f8d1a94f9fb78b9f07e1b6e4302c..34bc9ad35986c2bfa93bd276480f594252939e30 100644
--- a/examples/micelle/in.micelle
+++ b/examples/micelle/in.micelle
@@ -58,7 +58,7 @@ pair_coeff	1 4 1.0 1.0 1.12246
 pair_coeff	2 3 1.0 0.88 1.12246
 pair_coeff	2 4 1.0 0.75 1.12246
 
-thermo		1000
+thermo		50
 
 #dump		1 all atom 2000 dump.micelle
 
@@ -69,4 +69,4 @@ thermo		1000
 #dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
 
 reset_timestep	0
-run		60000
+run		1000
diff --git a/examples/micelle/in.micelle-rigid b/examples/micelle/in.micelle-rigid
new file mode 100644
index 0000000000000000000000000000000000000000..93cb2655f80b5d9c6991efd8860e07c6c0c37570
--- /dev/null
+++ b/examples/micelle/in.micelle-rigid
@@ -0,0 +1,87 @@
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+special_bonds	fene
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		500
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		50
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+group solvent   molecule 0
+group solute    subtract all solvent
+unfix 1
+unfix 2
+unfix 4
+fix		1 solvent nve
+fix		2 solvent temp/rescale 100 0.45 0.45 0.02 1.0
+fix		5 solute rigid molecule langevin 0.45 0.45 0.5 112211
+fix		4 all enforce2d
+run		500
+unfix 2
+unfix 4
+unfix 5
+fix		5 solute rigid/small molecule
+fix		4 all enforce2d
+run		500
diff --git a/examples/micelle/in.micelle.rigid b/examples/micelle/in.micelle.rigid
new file mode 100644
index 0000000000000000000000000000000000000000..47d2f749503c90c41d2680d25e97617e2099ecdf
--- /dev/null
+++ b/examples/micelle/in.micelle.rigid
@@ -0,0 +1,86 @@
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+special_bonds	fene
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		1000
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		1000
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+group solvent   molecule 0
+group solute    subtract all solvent
+unfix 1
+unfix 2
+unfix 4
+fix		1 solvent nve
+fix		2 solvent temp/rescale 100 0.45 0.45 0.02 1.0
+fix		5 solute rigid molecule langevin 0.45 0.45 0.5 112211
+fix		4 all enforce2d
+run		20000
+unfix 5
+unfix 4
+fix		5 solute rigid/small molecule langevin 0.45 0.45 0.5 112211
+fix		4 all enforce2d
+run		20000
diff --git a/examples/micelle/log.27Nov18.micelle.g++.1 b/examples/micelle/log.27Nov18.micelle.g++.1
deleted file mode 100644
index 30a965e0417753c41046b5a41ee63c1ac11e6e98..0000000000000000000000000000000000000000
--- a/examples/micelle/log.27Nov18.micelle.g++.1
+++ /dev/null
@@ -1,255 +0,0 @@
-LAMMPS (27 Nov 2018)
-  using 1 OpenMP thread(s) per MPI task
-# 2d micelle simulation
-
-dimension	2
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-atom_style	bond
-
-# Soft potential push-off
-
-read_data	data.micelle
-  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  1200 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  300 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-pair_style	soft 1.12246
-pair_coeff	* * 0.0 1.12246
-
-bond_style 	harmonic
-bond_coeff	1 50.0 0.75
-
-velocity	all create 0.45 2349852
-
-variable	prefactor equal ramp(1.0,20.0)
-
-fix		1 all nve
-fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
-fix		3 all adapt 1 pair soft a * * v_prefactor
-fix		4 all enforce2d
-
-thermo		50
-run		1000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.42246
-  ghost atom cutoff = 1.42246
-  binsize = 0.71123, bins = 51 51 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair soft, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.799 | 3.799 | 3.799 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
-      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
-     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
-     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
-     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
-     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
-     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
-     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
-     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
-     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
-     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
-     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
-     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
-     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
-     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
-     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
-     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
-     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
-     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
-     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
-    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
-Loop time of 0.167265 on 1 procs for 1000 steps with 1200 atoms
-
-Performance: 2582728.958 tau/day, 5978.539 timesteps/s
-99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.096171   | 0.096171   | 0.096171   |   0.0 | 57.50
-Bond    | 0.006212   | 0.006212   | 0.006212   |   0.0 |  3.71
-Neigh   | 0.024826   | 0.024826   | 0.024826   |   0.0 | 14.84
-Comm    | 0.0047672  | 0.0047672  | 0.0047672  |   0.0 |  2.85
-Output  | 0.00029063 | 0.00029063 | 0.00029063 |   0.0 |  0.17
-Modify  | 0.028771   | 0.028771   | 0.028771   |   0.0 | 17.20
-Other   |            | 0.006227   |            |       |  3.72
-
-Nlocal:    1200 ave 1200 max 1200 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    195 ave 195 max 195 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3136 ave 3136 max 3136 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3136
-Ave neighs/atom = 2.61333
-Ave special neighs/atom = 0.5
-Neighbor list builds = 92
-Dangerous builds = 0
-
-unfix		3
-
-# Main run
-
-pair_style	lj/cut 2.5
-
-# solvent/head - full-size and long-range
-
-pair_coeff	1 1 1.0 1.0 2.5
-pair_coeff	2 2 1.0 1.0 2.5
-pair_coeff	1 2 1.0 1.0 2.5
-
-# tail/tail - size-averaged and long-range
-
-pair_coeff	3 3 1.0 0.75 2.5
-pair_coeff	4 4 1.0 0.50 2.5
-pair_coeff	3 4 1.0 0.67 2.5
-
-# solvent/tail - full-size and repulsive
-
-pair_coeff	1 3 1.0 1.0 1.12246
-pair_coeff	1 4 1.0 1.0 1.12246
-
-# head/tail - size-averaged and repulsive
-
-pair_coeff	2 3 1.0 0.88 1.12246
-pair_coeff	2 4 1.0 0.75 1.12246
-
-thermo		1000
-
-#dump		1 all atom 2000 dump.micelle
-
-#dump		2 all image 2000 image.*.jpg type type zoom 1.6
-#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-#dump		3 all movie 2000 movie.mpg type type zoom 1.6
-#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-reset_timestep	0
-run		60000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 26 26 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.024 | 4.024 | 4.024 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
-    1000         0.45   -1.9727655  0.058608715   -1.4645318    1.9982298 
-    2000   0.46465361   -1.9897467  0.067008449   -1.4584719    1.5873463 
-    3000   0.46175071   -2.0129279  0.057865385   -1.4936966      1.41269 
-    4000   0.44386154   -2.0280304  0.067167835   -1.5173709    1.4022093 
-    5000   0.46127582   -2.0556041  0.068318674    -1.526394    1.1416711 
-    6000   0.45354052   -2.0463246   0.05461954   -1.5385425    1.1650258 
-    7000   0.44082313    -2.040263  0.060218047   -1.5395891    1.3258681 
-    8000   0.44353466   -2.0423792  0.061769402   -1.5374447    1.2696989 
-    9000   0.46192977   -2.0761348  0.064999109   -1.5495908    0.9205826 
-   10000   0.45278646   -2.0589872  0.059623919   -1.5469542     1.075581 
-   11000   0.45583355   -2.0661957  0.058197558   -1.5525445     1.127643 
-   12000   0.45881198   -2.0921508  0.066937896   -1.5667833   0.98383574 
-   13000   0.45339481    -2.079088   0.06292782   -1.5631432    1.0188637 
-   14000   0.43601312   -2.0624084  0.057999616    -1.568759    1.1452177 
-   15000   0.45941503   -2.0746606  0.062523373    -1.553105   0.86928343 
-   16000         0.45   -2.0743162   0.05517924    -1.569512   0.86849848 
-   17000   0.45603004   -2.0657683  0.058711872   -1.5514064   0.95544551 
-   18000   0.45320383   -2.1009711  0.060716634   -1.5874283    0.8343521 
-   19000   0.44072983   -2.0846408  0.062893297    -1.581385   0.90776246 
-   20000   0.44452441   -2.0921415  0.060341571    -1.587646   0.98180005 
-   21000   0.45964557   -2.0837047  0.054459432   -1.5699827    1.0213779 
-   22000   0.46351849   -2.1053613  0.058392027   -1.5838371   0.81579487 
-   23000   0.45576065   -2.1001888  0.057646538   -1.5871614   0.76090085 
-   24000   0.44671746   -2.0848717  0.058192801   -1.5803337   0.77003809 
-   25000   0.44371239   -2.0870872  0.054804981   -1.5889396   0.92295746 
-   26000   0.45381188    -2.097021  0.057195346    -1.586392    0.7743058 
-   27000   0.46158533   -2.1071056  0.061289644   -1.5846153   0.78981802 
-   28000   0.46534671   -2.1056151  0.054934755   -1.5857214   0.80778664 
-   29000    0.4505804   -2.0949318  0.065503451   -1.5792234   0.78274755 
-   30000   0.45730883   -2.1029161  0.063461968   -1.5825264   0.82507857 
-   31000    0.4620071   -2.1124989  0.059980378   -1.5908964   0.78583986 
-   32000   0.46934619   -2.1107818  0.056442616   -1.5853842   0.70535653 
-   33000   0.45800203   -2.1062502  0.054317859    -1.594312     0.726293 
-   34000   0.44634295    -2.110401  0.057764968    -1.606665   0.85401059 
-   35000    0.4431929   -2.1274759  0.062048133   -1.6226042   0.64243758 
-   36000   0.46049645   -2.1300979  0.068463634   -1.6015216   0.57252544 
-   37000   0.45366344   -2.0977407  0.053788554   -1.5906668   0.78046879 
-   38000   0.44155077   -2.1166674  0.056888683   -1.6185959   0.53429042 
-   39000   0.45631012    -2.096949   0.04860872   -1.5924104   0.86494908 
-   40000   0.44684402   -2.1229137  0.067190397   -1.6092516   0.65110818 
-   41000    0.4479377   -2.1105264  0.059375259   -1.6035867   0.79092862 
-   42000   0.46143191   -2.1174539  0.057418393   -1.5989882   0.69762908 
-   43000    0.4356786    -2.085826  0.056534028   -1.5939764   0.89541946 
-   44000   0.45806826    -2.126423  0.060905733   -1.6078307   0.66389027 
-   45000   0.44343688   -2.1116384  0.065870114    -1.602701   0.83947585 
-   46000   0.43844672   -2.1096265  0.064158652   -1.6073865   0.77278902 
-   47000   0.45794928   -2.1142786  0.058919562   -1.5977914   0.62611933 
-   48000   0.45412335   -2.1106058  0.059153304   -1.5977076   0.66190677 
-   49000   0.45927883   -2.1197656  0.068354598   -1.5925149   0.56008845 
-   50000   0.44117285   -2.1020783  0.064763249   -1.5965099   0.85935147 
-   51000   0.45325398   -2.1125154  0.062295387   -1.5973438   0.80951782 
-   52000   0.43896579   -2.1039004  0.057475908   -1.6078245   0.84753768 
-   53000   0.45180671   -2.1092446  0.063528598   -1.5942857   0.67065038 
-   54000    0.4554341   -2.1185135  0.059603337   -1.6038556   0.76399618 
-   55000   0.43861159   -2.0986406  0.057733879   -1.6026606   0.77334084 
-   56000   0.45522991   -2.1207166  0.063287543   -1.6025785   0.78669598 
-   57000   0.46125513   -2.1150202   0.06026261   -1.5938868   0.78148646 
-   58000   0.45236938   -2.1088894  0.062678374   -1.5942186   0.75643518 
-   59000   0.43927269   -2.1274165  0.055355076   -1.6331548   0.63495311 
-   60000   0.45331102   -2.1336193  0.051244399   -1.6294416   0.56706921 
-Loop time of 13.9361 on 1 procs for 60000 steps with 1200 atoms
-
-Performance: 1859917.639 tau/day, 4305.365 timesteps/s
-99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 9.2211     | 9.2211     | 9.2211     |   0.0 | 66.17
-Bond    | 0.33763    | 0.33763    | 0.33763    |   0.0 |  2.42
-Neigh   | 2.3772     | 2.3772     | 2.3772     |   0.0 | 17.06
-Comm    | 0.37693    | 0.37693    | 0.37693    |   0.0 |  2.70
-Output  | 0.0011795  | 0.0011795  | 0.0011795  |   0.0 |  0.01
-Modify  | 1.2727     | 1.2727     | 1.2727     |   0.0 |  9.13
-Other   |            | 0.3493     |            |       |  2.51
-
-Nlocal:    1200 ave 1200 max 1200 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    405 ave 405 max 405 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    9565 ave 9565 max 9565 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 9565
-Ave neighs/atom = 7.97083
-Ave special neighs/atom = 0.5
-Neighbor list builds = 4876
-Dangerous builds = 0
-Total wall time: 0:00:14
diff --git a/examples/micelle/log.27Nov18.micelle.g++.4 b/examples/micelle/log.27Nov18.micelle.g++.4
deleted file mode 100644
index c9509df4b230f9b33fcd55700f2d1412fa0ab15f..0000000000000000000000000000000000000000
--- a/examples/micelle/log.27Nov18.micelle.g++.4
+++ /dev/null
@@ -1,255 +0,0 @@
-LAMMPS (27 Nov 2018)
-  using 1 OpenMP thread(s) per MPI task
-# 2d micelle simulation
-
-dimension	2
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-atom_style	bond
-
-# Soft potential push-off
-
-read_data	data.micelle
-  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  1200 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  300 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-pair_style	soft 1.12246
-pair_coeff	* * 0.0 1.12246
-
-bond_style 	harmonic
-bond_coeff	1 50.0 0.75
-
-velocity	all create 0.45 2349852
-
-variable	prefactor equal ramp(1.0,20.0)
-
-fix		1 all nve
-fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
-fix		3 all adapt 1 pair soft a * * v_prefactor
-fix		4 all enforce2d
-
-thermo		50
-run		1000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.42246
-  ghost atom cutoff = 1.42246
-  binsize = 0.71123, bins = 51 51 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair soft, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.758 | 3.85 | 4.126 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
-      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
-     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
-     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
-     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
-     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
-     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
-     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
-     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
-     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
-     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
-     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
-     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
-     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
-     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
-     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
-     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
-     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
-     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
-     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
-    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
-Loop time of 0.0641922 on 4 procs for 1000 steps with 1200 atoms
-
-Performance: 6729792.131 tau/day, 15578.223 timesteps/s
-90.9% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.020663   | 0.021445   | 0.022477   |   0.5 | 33.41
-Bond    | 0.0014422  | 0.0015128  | 0.001569   |   0.1 |  2.36
-Neigh   | 0.0067129  | 0.0067645  | 0.0068202  |   0.1 | 10.54
-Comm    | 0.018454   | 0.019275   | 0.020386   |   0.5 | 30.03
-Output  | 0.00038171 | 0.00040019 | 0.00044632 |   0.0 |  0.62
-Modify  | 0.010561   | 0.010904   | 0.011309   |   0.3 | 16.99
-Other   |            | 0.003891   |            |       |  6.06
-
-Nlocal:    300 ave 305 max 292 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    100.25 ave 108 max 93 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Neighs:    784 ave 815 max 739 min
-Histogram: 1 0 0 0 0 0 1 1 0 1
-
-Total # of neighbors = 3136
-Ave neighs/atom = 2.61333
-Ave special neighs/atom = 0.5
-Neighbor list builds = 92
-Dangerous builds = 0
-
-unfix		3
-
-# Main run
-
-pair_style	lj/cut 2.5
-
-# solvent/head - full-size and long-range
-
-pair_coeff	1 1 1.0 1.0 2.5
-pair_coeff	2 2 1.0 1.0 2.5
-pair_coeff	1 2 1.0 1.0 2.5
-
-# tail/tail - size-averaged and long-range
-
-pair_coeff	3 3 1.0 0.75 2.5
-pair_coeff	4 4 1.0 0.50 2.5
-pair_coeff	3 4 1.0 0.67 2.5
-
-# solvent/tail - full-size and repulsive
-
-pair_coeff	1 3 1.0 1.0 1.12246
-pair_coeff	1 4 1.0 1.0 1.12246
-
-# head/tail - size-averaged and repulsive
-
-pair_coeff	2 3 1.0 0.88 1.12246
-pair_coeff	2 4 1.0 0.75 1.12246
-
-thermo		1000
-
-#dump		1 all atom 2000 dump.micelle
-
-#dump		2 all image 2000 image.*.jpg type type zoom 1.6
-#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-#dump		3 all movie 2000 movie.mpg type type zoom 1.6
-#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-reset_timestep	0
-run		60000
-Neighbor list info ...
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 26 26 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.001 | 4.032 | 4.124 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
-    1000         0.45   -1.9727661   0.05860859   -1.4645325    1.9982402 
-    2000   0.45146247   -1.9766043  0.059408886   -1.4661092    1.7398826 
-    3000   0.43338517   -2.0028125  0.059884381   -1.5099041    1.4716488 
-    4000   0.46674519   -2.0200954  0.066548679   -1.4871905    1.2506693 
-    5000         0.45   -2.0207125  0.055926205   -1.5151613    1.3047457 
-    6000   0.45447759   -2.0585234  0.068004883   -1.5364197    1.1859762 
-    7000   0.43183018   -2.0170545  0.060800296   -1.5247839    1.3074223 
-    8000   0.46657547    -2.053224  0.063224367    -1.523813    1.1785643 
-    9000         0.45   -2.0691221  0.054959029    -1.564538    1.1833657 
-   10000    0.4428252   -2.0473987  0.054306905   -1.5506356     1.181794 
-   11000   0.45407036   -2.0746151  0.065849667   -1.5550734    1.1008545 
-   12000   0.46061944   -2.0580809  0.063129643   -1.5347156    1.0206491 
-   13000   0.45159068   -2.0640832  0.060059758   -1.5528091    1.0813494 
-   14000   0.44141594   -2.0467255  0.062785088   -1.5428923    1.1465772 
-   15000     0.454361   -2.0908595  0.057471037   -1.5794061   0.84297781 
-   16000   0.44061091   -2.0521452  0.064644196   -1.5472573    1.1478647 
-   17000   0.45118383    -2.081348  0.058660999   -1.5718791    1.0101404 
-   18000   0.44664866   -2.0845745  0.060435731   -1.5778623   0.96142277 
-   19000   0.45515339   -2.0914006  0.062174016   -1.5744525   0.87623323 
-   20000   0.45624408   -2.0837697  0.059263054   -1.5686428   0.92810644 
-   21000   0.46791657   -2.1062007  0.067355929   -1.5713181   0.88318793 
-   22000   0.43907391   -2.1005271  0.065885144   -1.5959339   0.77211644 
-   23000   0.43967354   -2.0723459  0.057613471   -1.5754253    1.0371548 
-   24000   0.45716384   -2.0987126  0.055157377   -1.5867723   0.89670061 
-   25000   0.45828285   -2.1041616  0.057736138   -1.5885245   0.79952286 
-   26000         0.45   -2.0743463  0.072455519   -1.5522658   0.88260204 
-   27000   0.46581599   -2.0804974  0.058113258   -1.5569564   0.93053891 
-   28000   0.46904194   -2.0920124  0.059748792   -1.5636125   0.79359618 
-   29000   0.46093196    -2.118556  0.063942334   -1.5940659   0.67707604 
-   30000   0.45733724   -2.1197827  0.066939064   -1.5958875   0.66886075 
-   31000   0.44580762   -2.0977175  0.056969121   -1.5953123   0.81042562 
-   32000   0.44403029   -2.1032264  0.063465127    -1.596101   0.71796412 
-   33000   0.45834072   -2.0934132  0.066035391    -1.569419   0.77873998 
-   34000   0.44981563   -2.0910902   0.07138738   -1.5702621   0.75679805 
-   35000   0.45383392   -2.0926654  0.067553478   -1.5716562    0.9064517 
-   36000   0.44447198   -2.1107114  0.062718917   -1.6038909    0.8538349 
-   37000   0.45838527   -2.1166464  0.062442606   -1.5962005    0.7300635 
-   38000   0.45014075   -2.1096258  0.059293718   -1.6005665   0.73988246 
-   39000   0.44377026    -2.080309  0.063545781   -1.5733628   0.99775641 
-   40000   0.44577324   -2.1134607  0.065271179   -1.6027878   0.64113168 
-   41000         0.45   -2.0937983  0.060881377   -1.5832919   0.78849829 
-   42000   0.46866695   -2.1142283  0.056417605   -1.5895343   0.73788436 
-   43000   0.43211727   -2.0819893  0.061463358   -1.5887688   0.95853724 
-   44000   0.44138397   -2.0921314  0.059643895   -1.5914713   0.89486208 
-   45000         0.45    -2.117209  0.054804331   -1.6127797   0.78564885 
-   46000   0.44285245   -2.1090975  0.057629006   -1.6089851   0.64549424 
-   47000   0.45537009   -2.1164296  0.068582324   -1.5928567   0.73629413 
-   48000   0.45046732   -2.1006362  0.057249591   -1.5932947   0.74317593 
-   49000   0.45425966   -2.1191703  0.064247719   -1.6010414   0.70962368 
-   50000   0.45506149   -2.1184671  0.064911797   -1.5988731   0.69958156 
-   51000   0.46047417   -2.1019719  0.058468259   -1.5834132   0.87219271 
-   52000   0.43808317    -2.092294  0.057280941    -1.597295   0.84156893 
-   53000   0.45012337   -2.1175234  0.064002667   -1.6037725   0.64562439 
-   54000   0.43854679   -2.1236444  0.061316257   -1.6241468   0.72478117 
-   55000   0.46382438   -2.1016563  0.060724666   -1.5774938   0.83311209 
-   56000   0.44951533   -2.0946157  0.055075217   -1.5903998   0.90066109 
-   57000   0.45937401   -2.0983442  0.061558996    -1.577794   0.58606161 
-   58000     0.446669   -2.1146838  0.062385166   -1.6060019   0.73443388 
-   59000   0.43847747   -2.1197461  0.060460257   -1.6211738    0.7230937 
-   60000   0.45294215   -2.1258513  0.061895006   -1.6113915   0.70722168 
-Loop time of 4.56226 on 4 procs for 60000 steps with 1200 atoms
-
-Performance: 5681397.232 tau/day, 13151.382 timesteps/s
-97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.2114     | 2.2527     | 2.3592     |   4.1 | 49.38
-Bond    | 0.083713   | 0.09234    | 0.10244    |   2.3 |  2.02
-Neigh   | 0.72491    | 0.7277     | 0.72957    |   0.2 | 15.95
-Comm    | 0.79464    | 0.90036    | 0.94957    |   6.5 | 19.74
-Output  | 0.0014119  | 0.0024976  | 0.0057502  |   3.8 |  0.05
-Modify  | 0.33757    | 0.35202    | 0.36946    |   2.1 |  7.72
-Other   |            | 0.2346     |            |       |  5.14
-
-Nlocal:    300 ave 306 max 289 min
-Histogram: 1 0 0 0 0 0 0 1 1 1
-Nghost:    227.25 ave 250 max 216 min
-Histogram: 2 0 1 0 0 0 0 0 0 1
-Neighs:    2373.25 ave 2489 max 2283 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 9493
-Ave neighs/atom = 7.91083
-Ave special neighs/atom = 0.5
-Neighbor list builds = 4888
-Dangerous builds = 0
-Total wall time: 0:00:04
diff --git a/examples/micelle/log.29Mar2019.micelle-rigid.g++.1 b/examples/micelle/log.29Mar2019.micelle-rigid.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..f1001e6cea52f735c5bcf01df0783875e6fd7c19
--- /dev/null
+++ b/examples/micelle/log.29Mar2019.micelle-rigid.g++.1
@@ -0,0 +1,260 @@
+LAMMPS (29 Mar 2019)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000473022 secs
+  read_data CPU = 0.0024147 secs
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.00022316 secs
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		500
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.799 | 3.799 | 3.799 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.54981866   0.93548899  0.068440043    1.5532895    1.9232786 
+     100         0.45   0.99659327  0.079228519    1.5254468    3.2135679 
+     150   0.86965411   0.90456016   0.07493355    1.8484231    4.3821925 
+     200         0.45      1.01454   0.10663502       1.5708    4.7598476 
+     250   0.79636561   0.82567712   0.12105337    1.7424325    5.4983899 
+     300         0.45   0.86475538   0.11819875    1.4325791    5.8554758 
+     350   0.72135464   0.70693069   0.10912636    1.5368106    6.0388247 
+     400         0.45   0.75067331   0.14165013    1.3419484    6.3840708 
+     450   0.64839221   0.62402486   0.14173679    1.4136135    6.4791009 
+     500         0.45   0.66669513   0.13695201    1.2532721     6.807146 
+Loop time of 0.103162 on 1 procs for 500 steps with 1200 atoms
+
+Performance: 2093802.885 tau/day, 4846.766 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.068308   | 0.068308   | 0.068308   |   0.0 | 66.21
+Bond    | 0.004235   | 0.004235   | 0.004235   |   0.0 |  4.11
+Neigh   | 0.014069   | 0.014069   | 0.014069   |   0.0 | 13.64
+Comm    | 0.0019219  | 0.0019219  | 0.0019219  |   0.0 |  1.86
+Output  | 0.00017262 | 0.00017262 | 0.00017262 |   0.0 |  0.17
+Modify  | 0.011728   | 0.011728   | 0.011728   |   0.0 | 11.37
+Other   |            | 0.002726   |            |       |  2.64
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    197 ave 197 max 197 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3094 ave 3094 max 3094 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3094
+Ave neighs/atom = 2.57833
+Ave special neighs/atom = 0.5
+Neighbor list builds = 52
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		50
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+group solvent   molecule 0
+750 atoms in group solvent
+group solute    subtract all solvent
+450 atoms in group solute
+unfix 1
+unfix 2
+unfix 4
+fix		1 solvent nve
+fix		2 solvent temp/rescale 100 0.45 0.45 0.02 1.0
+fix		5 solute rigid molecule langevin 0.45 0.45 0.5 112211
+150 rigid bodies with 450 atoms
+fix		4 all enforce2d
+run		500
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.274 | 5.274 | 5.274 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0   0.45318168   -1.3753652   0.13695201   -0.8705807     1.975423 
+      50   0.77871641   -1.6955252   0.13695201  -0.92651507   0.64222539 
+     100    0.5336062   -1.7124572   0.13695201   -1.1423948  -0.11959696 
+     150   0.58789067   -1.7926109   0.13695201   -1.1784877    1.2592743 
+     200   0.47864796   -1.8040298   0.13695201   -1.2785752    3.6739793 
+     250   0.51124651   -1.8614797   0.13695201    -1.309566    2.5817722 
+     300   0.45695639   -1.8708384   0.13695201   -1.3629901    3.0833794 
+     350     0.477504   -1.8924359   0.13695201   -1.3679098   -5.1605926 
+     400   0.45328205     -1.87754   0.13695201    -1.372674   -4.0355858 
+     450   0.47465031   -1.9071924   0.13695201   -1.3849826    3.1949617 
+     500   0.45533691   -1.9072316   0.13695201   -1.4006978   0.48079061 
+Loop time of 0.178806 on 1 procs for 500 steps with 1200 atoms
+
+Performance: 1208012.705 tau/day, 2796.326 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.086131   | 0.086131   | 0.086131   |   0.0 | 48.17
+Bond    | 0.0042472  | 0.0042472  | 0.0042472  |   0.0 |  2.38
+Neigh   | 0.021317   | 0.021317   | 0.021317   |   0.0 | 11.92
+Comm    | 0.0025985  | 0.0025985  | 0.0025985  |   0.0 |  1.45
+Output  | 0.000175   | 0.000175   | 0.000175   |   0.0 |  0.10
+Modify  | 0.061408   | 0.061408   | 0.061408   |   0.0 | 34.34
+Other   |            | 0.00293    |            |       |  1.64
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    416 ave 416 max 416 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    8769 ave 8769 max 8769 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8769
+Ave neighs/atom = 7.3075
+Ave special neighs/atom = 0.5
+Neighbor list builds = 47
+Dangerous builds = 2
+unfix 2
+unfix 4
+unfix 5
+fix		5 solute rigid/small molecule
+  create bodies CPU = 0.00015378 secs
+150 rigid bodies with 450 atoms
+  1.30435 = max distance from body owner to body atom
+fix		4 all enforce2d
+run		500
+Per MPI rank memory allocation (min/avg/max) = 8.64 | 8.64 | 8.64 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.45533691   -1.9072316   0.13695201   -1.4006978    2.4545793 
+     550   0.45627282    -1.912409   0.13695201   -1.4051155    2.1845065 
+     600   0.44734553   -1.8890695   0.13695201    -1.389022    2.3458965 
+     650   0.46444648   -1.9042462   0.13695201   -1.3903185    2.1609319 
+     700   0.47113236   -1.8977576   0.13695201   -1.3784032    2.2420351 
+     750   0.48554548   -1.9253545   0.13695201   -1.3943015     2.143907 
+     800   0.46350091   -1.8865749   0.13695201   -1.3734146     2.294431 
+     850    0.4766104   -1.9094039   0.13695201   -1.3856031    2.2077157 
+     900   0.48988467   -1.9051538   0.13695201   -1.3705787    2.0107056 
+     950   0.48351943   -1.9162485   0.13695201   -1.3868399    2.1891332 
+    1000   0.49033701   -1.9115165   0.13695201   -1.3765742    2.1508141 
+Loop time of 0.166502 on 1 procs for 500 steps with 1200 atoms
+
+Performance: 1297278.008 tau/day, 3002.958 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.085767   | 0.085767   | 0.085767   |   0.0 | 51.51
+Bond    | 0.0042562  | 0.0042562  | 0.0042562  |   0.0 |  2.56
+Neigh   | 0.018039   | 0.018039   | 0.018039   |   0.0 | 10.83
+Comm    | 0.0024002  | 0.0024002  | 0.0024002  |   0.0 |  1.44
+Output  | 0.00018239 | 0.00018239 | 0.00018239 |   0.0 |  0.11
+Modify  | 0.052717   | 0.052717   | 0.052717   |   0.0 | 31.66
+Other   |            | 0.003141   |            |       |  1.89
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    415 ave 415 max 415 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    8743 ave 8743 max 8743 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8743
+Ave neighs/atom = 7.28583
+Ave special neighs/atom = 0.5
+Neighbor list builds = 40
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/micelle/log.29Mar2019.micelle-rigid.g++.4 b/examples/micelle/log.29Mar2019.micelle-rigid.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..e65f67a527f3904dd1965196ea9f097e6d0d7341
--- /dev/null
+++ b/examples/micelle/log.29Mar2019.micelle-rigid.g++.4
@@ -0,0 +1,260 @@
+LAMMPS (29 Mar 2019)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000422001 secs
+  read_data CPU = 0.00473404 secs
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000183344 secs
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		500
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.758 | 3.85 | 4.126 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.54981866   0.93548899  0.068440043    1.5532895    1.9232786 
+     100         0.45   0.99659327  0.079228519    1.5254468    3.2135679 
+     150   0.86965411   0.90456016   0.07493355    1.8484231    4.3821925 
+     200         0.45      1.01454   0.10663502       1.5708    4.7598476 
+     250   0.79636561   0.82567712   0.12105337    1.7424325    5.4983899 
+     300         0.45   0.86475538   0.11819875    1.4325791    5.8554758 
+     350   0.72135464   0.70693069   0.10912636    1.5368106    6.0388247 
+     400         0.45   0.75067331   0.14165013    1.3419484    6.3840708 
+     450   0.64839221   0.62402486   0.14173679    1.4136135    6.4791009 
+     500         0.45   0.66669513   0.13695201    1.2532721     6.807146 
+Loop time of 0.0426326 on 4 procs for 500 steps with 1200 atoms
+
+Performance: 5066547.720 tau/day, 11728.120 timesteps/s
+98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.016784   | 0.019254   | 0.022154   |   1.5 | 45.16
+Bond    | 0.0010612  | 0.0012558  | 0.0014153  |   0.4 |  2.95
+Neigh   | 0.0046048  | 0.0046697  | 0.0047245  |   0.1 | 10.95
+Comm    | 0.0064592  | 0.0097114  | 0.012527   |   2.4 | 22.78
+Output  | 0.00022507 | 0.00026393 | 0.00033951 |   0.0 |  0.62
+Modify  | 0.0041659  | 0.0048084  | 0.0053945  |   0.8 | 11.28
+Other   |            | 0.002669   |            |       |  6.26
+
+Nlocal:    300 ave 304 max 292 min
+Histogram: 1 0 0 0 0 0 0 0 2 1
+Nghost:    103.5 ave 108 max 98 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+Neighs:    773.5 ave 792 max 735 min
+Histogram: 1 0 0 0 0 0 0 0 2 1
+
+Total # of neighbors = 3094
+Ave neighs/atom = 2.57833
+Ave special neighs/atom = 0.5
+Neighbor list builds = 52
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		50
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+group solvent   molecule 0
+750 atoms in group solvent
+group solute    subtract all solvent
+450 atoms in group solute
+unfix 1
+unfix 2
+unfix 4
+fix		1 solvent nve
+fix		2 solvent temp/rescale 100 0.45 0.45 0.02 1.0
+fix		5 solute rigid molecule langevin 0.45 0.45 0.5 112211
+150 rigid bodies with 450 atoms
+fix		4 all enforce2d
+run		500
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.251 | 5.282 | 5.374 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0   0.45318168   -1.3753652   0.13695201   -0.8705807     1.975423 
+      50   0.77871641   -1.6955252   0.13695201  -0.92651507   0.64222539 
+     100    0.5336062   -1.7124572   0.13695201   -1.1423948  -0.11959696 
+     150   0.58789067   -1.7926109   0.13695201   -1.1784877    1.2592743 
+     200   0.47864796   -1.8040298   0.13695201   -1.2785752    3.6739793 
+     250   0.51124651   -1.8614797   0.13695201    -1.309566    2.5817722 
+     300   0.45695639   -1.8708384   0.13695201   -1.3629901    3.0833794 
+     350     0.477504   -1.8924359   0.13695201   -1.3679098   -5.1605926 
+     400   0.45328205     -1.87754   0.13695201    -1.372674   -4.0355858 
+     450   0.47465031   -1.9071924   0.13695201   -1.3849826    3.1949617 
+     500   0.45533691   -1.9072316   0.13695201   -1.4006978   0.48079061 
+Loop time of 0.0887392 on 4 procs for 500 steps with 1200 atoms
+
+Performance: 2434100.210 tau/day, 5634.491 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.022611   | 0.022839   | 0.023082   |   0.1 | 25.74
+Bond    | 0.0010793  | 0.0011569  | 0.0012515  |   0.2 |  1.30
+Neigh   | 0.0064609  | 0.0064996  | 0.0065265  |   0.0 |  7.32
+Comm    | 0.0071712  | 0.0073687  | 0.0077734  |   0.3 |  8.30
+Output  | 0.00023389 | 0.00025356 | 0.00030327 |   0.0 |  0.29
+Modify  | 0.047258   | 0.047683   | 0.048503   |   0.2 | 53.73
+Other   |            | 0.002938   |            |       |  3.31
+
+Nlocal:    300 ave 309 max 291 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    218.75 ave 223 max 216 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+Neighs:    2192.25 ave 2251 max 2113 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 8769
+Ave neighs/atom = 7.3075
+Ave special neighs/atom = 0.5
+Neighbor list builds = 47
+Dangerous builds = 2
+unfix 2
+unfix 4
+unfix 5
+fix		5 solute rigid/small molecule
+  create bodies CPU = 7.70092e-05 secs
+150 rigid bodies with 450 atoms
+  1.30435 = max distance from body owner to body atom
+fix		4 all enforce2d
+run		500
+Per MPI rank memory allocation (min/avg/max) = 8.565 | 8.597 | 8.69 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.45533691   -1.9072316   0.13695201   -1.4006978    2.4545793 
+     550   0.45627282    -1.912409   0.13695201   -1.4051155    2.1845065 
+     600   0.44734553   -1.8890695   0.13695201    -1.389022    2.3458965 
+     650   0.46444648   -1.9042462   0.13695201   -1.3903185    2.1609319 
+     700   0.47113236   -1.8977576   0.13695201   -1.3784032    2.2420351 
+     750   0.48554548   -1.9253545   0.13695201   -1.3943015     2.143907 
+     800   0.46350091   -1.8865749   0.13695201   -1.3734146     2.294431 
+     850    0.4766104   -1.9094039   0.13695201   -1.3856031    2.2077157 
+     900   0.48988467   -1.9051538   0.13695201   -1.3705787    2.0107056 
+     950   0.48351942   -1.9162485   0.13695201   -1.3868399    2.1891332 
+    1000     0.490337   -1.9115164   0.13695201   -1.3765742    2.1508141 
+Loop time of 0.0588261 on 4 procs for 500 steps with 1200 atoms
+
+Performance: 3671840.233 tau/day, 8499.630 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.022407   | 0.022631   | 0.0229     |   0.1 | 38.47
+Bond    | 0.0010669  | 0.0011355  | 0.0012124  |   0.2 |  1.93
+Neigh   | 0.0052333  | 0.00528    | 0.0053182  |   0.0 |  8.98
+Comm    | 0.0063677  | 0.0066406  | 0.0068488  |   0.2 | 11.29
+Output  | 0.00023055 | 0.00024778 | 0.00028086 |   0.0 |  0.42
+Modify  | 0.020577   | 0.020651   | 0.020834   |   0.1 | 35.11
+Other   |            | 0.00224    |            |       |  3.81
+
+Nlocal:    300 ave 303 max 295 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Nghost:    219 ave 224 max 215 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Neighs:    2185.75 ave 2244 max 2143 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+
+Total # of neighbors = 8743
+Ave neighs/atom = 7.28583
+Ave special neighs/atom = 0.5
+Neighbor list builds = 40
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/micelle/log.29Mar2019.micelle.g++.1 b/examples/micelle/log.29Mar2019.micelle.g++.1
new file mode 100644
index 0000000000000000000000000000000000000000..d482d6c8904bb270bbdf7c9dd6086ee7a7850ded
--- /dev/null
+++ b/examples/micelle/log.29Mar2019.micelle.g++.1
@@ -0,0 +1,218 @@
+LAMMPS (29 Mar 2019)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.00037837 secs
+  read_data CPU = 0.00206876 secs
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000177383 secs
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.799 | 3.799 | 3.799 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
+     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
+     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
+     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
+     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
+     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
+     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
+     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
+     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
+     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
+     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
+     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
+     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
+     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
+     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
+     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
+     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
+     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
+     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
+    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
+Loop time of 0.208895 on 1 procs for 1000 steps with 1200 atoms
+
+Performance: 2068027.282 tau/day, 4787.100 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.14142    | 0.14142    | 0.14142    |   0.0 | 67.70
+Bond    | 0.008441   | 0.008441   | 0.008441   |   0.0 |  4.04
+Neigh   | 0.025716   | 0.025716   | 0.025716   |   0.0 | 12.31
+Comm    | 0.0036864  | 0.0036864  | 0.0036864  |   0.0 |  1.76
+Output  | 0.0003562  | 0.0003562  | 0.0003562  |   0.0 |  0.17
+Modify  | 0.023699   | 0.023699   | 0.023699   |   0.0 | 11.35
+Other   |            | 0.00558    |            |       |  2.67
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    195 ave 195 max 195 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3136 ave 3136 max 3136 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3136
+Ave neighs/atom = 2.61333
+Ave special neighs/atom = 0.5
+Neighbor list builds = 92
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		50
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.024 | 4.024 | 4.024 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
+      50   0.59734982   -1.8103783  0.076066922   -1.1374593    3.2770557 
+     100         0.45   -1.8347112  0.093132329   -1.2919539     3.024661 
+     150   0.51924311   -1.8943977  0.076004124   -1.2995832    2.5570373 
+     200         0.45   -1.8918672  0.082422107   -1.3598201    2.5629655 
+     250   0.50281134    -1.920406  0.074011331   -1.3440023    2.3518682 
+     300         0.45   -1.9351047  0.075337265   -1.4101424    2.3249947 
+     350   0.47650026   -1.9313687  0.072115117   -1.3831504    2.1987532 
+     400         0.45   -1.9554318  0.081603939   -1.4242028    2.0787066 
+     450   0.47220236   -1.9468502  0.065625624   -1.4094157    2.0984288 
+     500    0.4684673   -1.9444333  0.076696283   -1.3996601    2.0528682 
+     550   0.47683128    -1.958676  0.070589719   -1.4116523    2.0856022 
+     600   0.46851243   -1.9338267   0.07060548   -1.3950992      2.26405 
+     650   0.46874142   -1.9462493  0.069134685   -1.4087638    2.1070263 
+     700   0.46437384   -1.9309953  0.071977522   -1.3950309    2.2256923 
+     750   0.47326225   -1.9484255  0.075435845   -1.4001218    2.0880254 
+     800         0.45   -1.9646005  0.064159585   -1.4508159    2.0612696 
+     850   0.46748307    -1.970559  0.060384874   -1.4430806    1.9472879 
+     900   0.46909484    -1.953723  0.062470295   -1.4225488    2.0222909 
+     950   0.45631531   -1.9387753  0.067536568   -1.4153037    2.0638421 
+    1000         0.45   -1.9727646  0.058607721   -1.4645318    1.9982315 
+Loop time of 0.252254 on 1 procs for 1000 steps with 1200 atoms
+
+Performance: 1712557.882 tau/day, 3964.254 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.17177    | 0.17177    | 0.17177    |   0.0 | 68.09
+Bond    | 0.0084555  | 0.0084555  | 0.0084555  |   0.0 |  3.35
+Neigh   | 0.03991    | 0.03991    | 0.03991    |   0.0 | 15.82
+Comm    | 0.0049119  | 0.0049119  | 0.0049119  |   0.0 |  1.95
+Output  | 0.00039077 | 0.00039077 | 0.00039077 |   0.0 |  0.15
+Modify  | 0.021131   | 0.021131   | 0.021131   |   0.0 |  8.38
+Other   |            | 0.005685   |            |       |  2.25
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    415 ave 415 max 415 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    8586 ave 8586 max 8586 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8586
+Ave neighs/atom = 7.155
+Ave special neighs/atom = 0.5
+Neighbor list builds = 86
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/micelle/log.29Mar2019.micelle.g++.4 b/examples/micelle/log.29Mar2019.micelle.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..f3a54970cf0ad5a8a461b4dcc9288d6117c1018f
--- /dev/null
+++ b/examples/micelle/log.29Mar2019.micelle.g++.4
@@ -0,0 +1,218 @@
+LAMMPS (29 Mar 2019)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000413656 secs
+  read_data CPU = 0.00487924 secs
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+  special bonds CPU = 0.000178576 secs
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.758 | 3.85 | 4.126 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
+     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
+     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
+     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
+     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
+     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
+     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
+     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
+     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
+     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
+     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
+     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
+     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
+     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
+     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
+     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
+     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
+     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
+     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
+    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
+Loop time of 0.0906248 on 4 procs for 1000 steps with 1200 atoms
+
+Performance: 4766906.584 tau/day, 11034.506 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.036572   | 0.039266   | 0.041216   |   1.0 | 43.33
+Bond    | 0.0023205  | 0.0024512  | 0.0025697  |   0.2 |  2.70
+Neigh   | 0.0088909  | 0.0089301  | 0.0089679  |   0.0 |  9.85
+Comm    | 0.022308   | 0.024047   | 0.027175   |   1.3 | 26.53
+Output  | 0.00057411 | 0.00061274 | 0.00071025 |   0.0 |  0.68
+Modify  | 0.0083182  | 0.0092374  | 0.0098341  |   0.6 | 10.19
+Other   |            | 0.006081   |            |       |  6.71
+
+Nlocal:    300 ave 305 max 292 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Nghost:    100.25 ave 108 max 93 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Neighs:    784 ave 815 max 739 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+
+Total # of neighbors = 3136
+Ave neighs/atom = 2.61333
+Ave special neighs/atom = 0.5
+Neighbor list builds = 92
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		50
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.001 | 4.032 | 4.124 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
+      50   0.59734982   -1.8103783  0.076066922   -1.1374593    3.2770557 
+     100         0.45   -1.8347112  0.093132329   -1.2919539     3.024661 
+     150   0.51924311   -1.8943977  0.076004124   -1.2995832    2.5570373 
+     200         0.45   -1.8918672  0.082422107   -1.3598201    2.5629655 
+     250   0.50281134    -1.920406  0.074011331   -1.3440023    2.3518682 
+     300         0.45   -1.9351047  0.075337265   -1.4101424    2.3249947 
+     350   0.47650026   -1.9313687  0.072115117   -1.3831504    2.1987532 
+     400         0.45   -1.9554318  0.081603939   -1.4242028    2.0787066 
+     450   0.47220236   -1.9468502  0.065625625   -1.4094157    2.0984288 
+     500    0.4684673   -1.9444333  0.076696285   -1.3996601    2.0528682 
+     550   0.47683128    -1.958676  0.070589721   -1.4116523    2.0856023 
+     600   0.46851245   -1.9338267  0.070605469   -1.3950992      2.26405 
+     650   0.46874143   -1.9462493  0.069134686   -1.4087638    2.1070262 
+     700    0.4643739   -1.9309953  0.071977511   -1.3950309     2.225692 
+     750   0.47326259   -1.9484258  0.075435808   -1.4001218    2.0880235 
+     800         0.45   -1.9646003   0.06415956   -1.4508158    2.0612703 
+     850   0.46748278   -1.9705588   0.06038513   -1.4430804    1.9472884 
+     900   0.46909438   -1.9537221  0.062470305   -1.4225483    2.0223008 
+     950   0.45631508   -1.9387742  0.067536066   -1.4153033     2.063854 
+    1000         0.45   -1.9727651  0.058608085    -1.464532    1.9982447 
+Loop time of 0.0878521 on 4 procs for 1000 steps with 1200 atoms
+
+Performance: 4917357.613 tau/day, 11382.772 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.043517   | 0.044455   | 0.046903   |   0.7 | 50.60
+Bond    | 0.0020199  | 0.0022303  | 0.0024347  |   0.4 |  2.54
+Neigh   | 0.012207   | 0.012335   | 0.012512   |   0.1 | 14.04
+Comm    | 0.014938   | 0.018265   | 0.020068   |   1.5 | 20.79
+Output  | 0.00061369 | 0.00064814 | 0.00073504 |   0.0 |  0.74
+Modify  | 0.0052264  | 0.0053691  | 0.0055039  |   0.2 |  6.11
+Other   |            | 0.00455    |            |       |  5.18
+
+Nlocal:    300 ave 305 max 296 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Nghost:    219.5 ave 228 max 214 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Neighs:    2146.5 ave 2201 max 2114 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 8586
+Ave neighs/atom = 7.155
+Ave special neighs/atom = 0.5
+Neighbor list builds = 86
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/lib/colvars/colvar.cpp b/lib/colvars/colvar.cpp
index 8b28eaa0df9ec8c9912974e3c89dba42653a0283..723a54ad39b8e7d584aa0d776320388bc290de08 100644
--- a/lib/colvars/colvar.cpp
+++ b/lib/colvars/colvar.cpp
@@ -24,12 +24,13 @@ colvar::colvar()
 {
   runave_os = NULL;
 
-  prev_timestep = -1;
+  prev_timestep = -1L;
   after_restart = false;
   kinetic_energy = 0.0;
   potential_energy = 0.0;
 
-  init_cv_requires();
+  description = "uninitialized colvar";
+  init_dependencies();
 }
 
 
@@ -193,7 +194,7 @@ int colvar::init(std::string const &conf)
   {
     bool homogeneous = is_enabled(f_cv_linear);
     for (i = 0; i < cvcs.size(); i++) {
-      if ((std::fabs(cvcs[i]->sup_coeff) - 1.0) > 1.0e-10) {
+      if ((cvm::fabs(cvcs[i]->sup_coeff) - 1.0) > 1.0e-10) {
         homogeneous = false;
       }
     }
@@ -224,7 +225,7 @@ int colvar::init(std::string const &conf)
   // Allow scripted/custom functions to be defined as periodic
   if ( (is_enabled(f_cv_scripted) || is_enabled(f_cv_custom_function)) && is_enabled(f_cv_scalar) ) {
     if (get_keyval(conf, "period", period, 0.)) {
-      set_enabled(f_cv_periodic, true);
+      enable(f_cv_periodic);
       get_keyval(conf, "wrapAround", wrap_center, 0.);
     }
   }
@@ -471,7 +472,7 @@ int colvar::init_grid_parameters(std::string const &conf)
     if (get_keyval(conf, "lowerWallConstant", lower_wall_k, 0.0,
                    parse_silent)) {
       cvm::log("Reading legacy options lowerWall and lowerWallConstant: "
-               "consider using a harmonicWalls restraint.\n");
+               "consider using a harmonicWalls restraint\n(caution: force constant would then be scaled by width^2).\n");
       lower_wall.type(value());
       if (!get_keyval(conf, "lowerWall", lower_wall, lower_boundary)) {
         cvm::log("Warning: lowerWall will need to be "
@@ -485,7 +486,7 @@ int colvar::init_grid_parameters(std::string const &conf)
     if (get_keyval(conf, "upperWallConstant", upper_wall_k, 0.0,
                    parse_silent)) {
       cvm::log("Reading legacy options upperWall and upperWallConstant: "
-               "consider using a harmonicWalls restraint.\n");
+               "consider using a harmonicWalls restraint\n(caution: force constant would then be scaled by width^2).\n");
       upper_wall.type(value());
       if (!get_keyval(conf, "upperWall", upper_wall, upper_boundary)) {
         cvm::log("Warning: upperWall will need to be "
@@ -562,13 +563,13 @@ int colvar::init_extended_Lagrangian(std::string const &conf)
   get_keyval_feature(this, conf, "extendedLagrangian", f_cv_extended_Lagrangian, false);
 
   if (is_enabled(f_cv_extended_Lagrangian)) {
-    cvm::real temp, tolerance, period;
+    cvm::real temp, tolerance, extended_period;
 
     cvm::log("Enabling the extended Lagrangian term for colvar \""+
              this->name+"\".\n");
 
-    xr.type(value());
-    vr.type(value());
+    x_ext.type(value());
+    v_ext.type(value());
     fr.type(value());
 
     const bool found = get_keyval(conf, "extendedTemp", temp, cvm::temperature());
@@ -590,11 +591,11 @@ int colvar::init_extended_Lagrangian(std::string const &conf)
     ext_force_k = cvm::boltzmann() * temp / (tolerance * tolerance);
     cvm::log("Computed extended system force constant: " + cvm::to_str(ext_force_k) + " [E]/U^2");
 
-    get_keyval(conf, "extendedTimeConstant", period, 200.0);
-    if (period <= 0.0) {
+    get_keyval(conf, "extendedTimeConstant", extended_period, 200.0);
+    if (extended_period <= 0.0) {
       cvm::error("Error: \"extendedTimeConstant\" must be positive.\n", INPUT_ERROR);
     }
-    ext_mass = (cvm::boltzmann() * temp * period * period)
+    ext_mass = (cvm::boltzmann() * temp * extended_period * extended_period)
       / (4.0 * PI * PI * tolerance * tolerance);
     cvm::log("Computed fictitious mass: " + cvm::to_str(ext_mass) + " [E]/(U/fs)^2   (U: colvar unit)");
 
@@ -615,7 +616,7 @@ int colvar::init_extended_Lagrangian(std::string const &conf)
       enable(f_cv_Langevin);
       ext_gamma *= 1.0e-3; // correct as long as input is required in ps-1 and cvm::dt() is in fs
       // Adjust Langevin sigma for slow time step if time_step_factor != 1
-      ext_sigma = std::sqrt(2.0 * cvm::boltzmann() * temp * ext_gamma * ext_mass / (cvm::dt() * cvm::real(time_step_factor)));
+      ext_sigma = cvm::sqrt(2.0 * cvm::boltzmann() * temp * ext_gamma * ext_mass / (cvm::dt() * cvm::real(time_step_factor)));
     }
   }
 
@@ -761,6 +762,8 @@ int colvar::init_components(std::string const &conf)
     "weighted by inverse power", "distanceInv");
   error_code |= init_components_type<distance_pairs>(conf, "N1xN2-long vector "
     "of pairwise distances", "distancePairs");
+  error_code |= init_components_type<dipole_magnitude>(conf, "dipole magnitude",
+    "dipoleMagnitude");
   error_code |= init_components_type<coordnum>(conf, "coordination "
     "number", "coordNum");
   error_code |= init_components_type<selfcoordnum>(conf, "self-coordination "
@@ -831,22 +834,25 @@ void colvar::build_atom_list(void)
 
   for (size_t i = 0; i < cvcs.size(); i++) {
     for (size_t j = 0; j < cvcs[i]->atom_groups.size(); j++) {
-      cvm::atom_group &ag = *(cvcs[i]->atom_groups[j]);
+      cvm::atom_group const &ag = *(cvcs[i]->atom_groups[j]);
       for (size_t k = 0; k < ag.size(); k++) {
         temp_id_list.push_back(ag[k].id);
       }
+      if (ag.is_enabled(f_ag_fitting_group) && ag.is_enabled(f_ag_fit_gradients)) {
+        cvm::atom_group const &fg = *(ag.fitting_group);
+        for (size_t k = 0; k < fg.size(); k++) {
+          temp_id_list.push_back(fg[k].id);
+        }
+      }
     }
   }
 
   temp_id_list.sort();
   temp_id_list.unique();
 
-  // atom_ids = std::vector<int> (temp_id_list.begin(), temp_id_list.end());
-  unsigned int id_i = 0;
   std::list<int>::iterator li;
   for (li = temp_id_list.begin(); li != temp_id_list.end(); ++li) {
-    atom_ids[id_i] = *li;
-    id_i++;
+    atom_ids.push_back(*li);
   }
 
   temp_id_list.clear();
@@ -934,27 +940,164 @@ int colvar::parse_analysis(std::string const &conf)
 }
 
 
-void colvar::setup() {
-  // loop over all components to reset masses of all groups
+int colvar::init_dependencies() {
+  size_t i;
+  if (features().size() == 0) {
+    for (i = 0; i < f_cv_ntot; i++) {
+      modify_features().push_back(new feature);
+    }
+
+    init_feature(f_cv_active, "active", f_type_dynamic);
+    // Do not require f_cvc_active in children, as some components may be disabled
+    // Colvars must be either a linear combination, or scalar (and polynomial) or scripted/custom
+    require_feature_alt(f_cv_active, f_cv_scalar, f_cv_linear, f_cv_scripted, f_cv_custom_function);
+
+    init_feature(f_cv_awake, "awake", f_type_static);
+    require_feature_self(f_cv_awake, f_cv_active);
+
+    init_feature(f_cv_gradient, "gradient", f_type_dynamic);
+    require_feature_children(f_cv_gradient, f_cvc_gradient);
+
+    init_feature(f_cv_collect_gradient, "collect gradient", f_type_dynamic);
+    require_feature_self(f_cv_collect_gradient, f_cv_gradient);
+    require_feature_self(f_cv_collect_gradient, f_cv_scalar);
+    // The following exlusion could be lifted by implementing the feature
+    exclude_feature_self(f_cv_collect_gradient, f_cv_scripted);
+    require_feature_children(f_cv_collect_gradient, f_cvc_explicit_gradient);
+
+    init_feature(f_cv_fdiff_velocity, "velocity from finite differences", f_type_dynamic);
+
+    // System force: either trivial (spring force); through extended Lagrangian, or calculated explicitly
+    init_feature(f_cv_total_force, "total force", f_type_dynamic);
+    require_feature_alt(f_cv_total_force, f_cv_extended_Lagrangian, f_cv_total_force_calc);
+
+    // Deps for explicit total force calculation
+    init_feature(f_cv_total_force_calc, "total force calculation", f_type_dynamic);
+    require_feature_self(f_cv_total_force_calc, f_cv_scalar);
+    require_feature_self(f_cv_total_force_calc, f_cv_linear);
+    require_feature_children(f_cv_total_force_calc, f_cvc_inv_gradient);
+    require_feature_self(f_cv_total_force_calc, f_cv_Jacobian);
+
+    init_feature(f_cv_Jacobian, "Jacobian derivative", f_type_dynamic);
+    require_feature_self(f_cv_Jacobian, f_cv_scalar);
+    require_feature_self(f_cv_Jacobian, f_cv_linear);
+    require_feature_children(f_cv_Jacobian, f_cvc_Jacobian);
+
+    init_feature(f_cv_hide_Jacobian, "hide Jacobian force", f_type_user);
+    require_feature_self(f_cv_hide_Jacobian, f_cv_Jacobian); // can only hide if calculated
+
+    init_feature(f_cv_extended_Lagrangian, "extended Lagrangian", f_type_user);
+    require_feature_self(f_cv_extended_Lagrangian, f_cv_scalar);
+    require_feature_self(f_cv_extended_Lagrangian, f_cv_gradient);
+
+    init_feature(f_cv_Langevin, "Langevin dynamics", f_type_user);
+    require_feature_self(f_cv_Langevin, f_cv_extended_Lagrangian);
+
+    init_feature(f_cv_linear, "linear", f_type_static);
+
+    init_feature(f_cv_scalar, "scalar", f_type_static);
+
+    init_feature(f_cv_output_energy, "output energy", f_type_user);
+
+    init_feature(f_cv_output_value, "output value", f_type_user);
+
+    init_feature(f_cv_output_velocity, "output velocity", f_type_user);
+    require_feature_self(f_cv_output_velocity, f_cv_fdiff_velocity);
+
+    init_feature(f_cv_output_applied_force, "output applied force", f_type_user);
+
+    init_feature(f_cv_output_total_force, "output total force", f_type_user);
+    require_feature_self(f_cv_output_total_force, f_cv_total_force);
+
+    init_feature(f_cv_subtract_applied_force, "subtract applied force from total force", f_type_user);
+    require_feature_self(f_cv_subtract_applied_force, f_cv_total_force);
+
+    init_feature(f_cv_lower_boundary, "lower boundary", f_type_user);
+    require_feature_self(f_cv_lower_boundary, f_cv_scalar);
+
+    init_feature(f_cv_upper_boundary, "upper boundary", f_type_user);
+    require_feature_self(f_cv_upper_boundary, f_cv_scalar);
+
+    init_feature(f_cv_grid, "grid", f_type_dynamic);
+    require_feature_self(f_cv_grid, f_cv_lower_boundary);
+    require_feature_self(f_cv_grid, f_cv_upper_boundary);
+
+    init_feature(f_cv_runave, "running average", f_type_user);
+
+    init_feature(f_cv_corrfunc, "correlation function", f_type_user);
+
+    init_feature(f_cv_scripted, "scripted", f_type_user);
+
+    init_feature(f_cv_custom_function, "custom function", f_type_user);
+    exclude_feature_self(f_cv_custom_function, f_cv_scripted);
+
+    init_feature(f_cv_periodic, "periodic", f_type_static);
+    require_feature_self(f_cv_periodic, f_cv_scalar);
+    init_feature(f_cv_scalar, "scalar", f_type_static);
+    init_feature(f_cv_linear, "linear", f_type_static);
+    init_feature(f_cv_homogeneous, "homogeneous", f_type_static);
+
+    // because total forces are obtained from the previous time step,
+    // we cannot (currently) have colvar values and total forces for the same timestep
+    init_feature(f_cv_multiple_ts, "multiple timestep colvar", f_type_static);
+    exclude_feature_self(f_cv_multiple_ts, f_cv_total_force_calc);
+
+    // check that everything is initialized
+    for (i = 0; i < colvardeps::f_cv_ntot; i++) {
+      if (is_not_set(i)) {
+        cvm::error("Uninitialized feature " + cvm::to_str(i) + " in " + description);
+      }
+    }
+  }
+
+  // Initialize feature_states for each instance
+  feature_states.reserve(f_cv_ntot);
+  for (i = 0; i < f_cv_ntot; i++) {
+    feature_states.push_back(feature_state(true, false));
+    // Most features are available, so we set them so
+    // and list exceptions below
+   }
+
+  feature_states[f_cv_fdiff_velocity].available =
+    cvm::main()->proxy->simulation_running();
+
+  return COLVARS_OK;
+}
+
+
+void colvar::setup()
+{
+  // loop over all components to update masses and charges of all groups
   for (size_t i = 0; i < cvcs.size(); i++) {
     for (size_t ig = 0; ig < cvcs[i]->atom_groups.size(); ig++) {
-      cvm::atom_group &atoms = *(cvcs[i]->atom_groups[ig]);
-      atoms.setup();
-      atoms.reset_mass(name,i,ig);
-      atoms.read_positions();
+      cvm::atom_group *atoms = cvcs[i]->atom_groups[ig];
+      atoms->setup();
+      atoms->print_properties(name, i, ig);
+      atoms->read_positions();
     }
   }
 }
 
 
+std::vector<std::vector<int> > colvar::get_atom_lists()
+{
+  std::vector<std::vector<int> > lists;
+  for (size_t i = 0; i < cvcs.size(); i++) {
+    std::vector<std::vector<int> > li = cvcs[i]->get_atom_lists();
+    lists.insert(lists.end(), li.begin(), li.end());
+  }
+  return lists;
+}
+
+
 colvar::~colvar()
 {
   // There is no need to call free_children_deps() here
   // because the children are cvcs and will be deleted
   // just below
 
-//   Clear references to this colvar's cvcs as children
-//   for dependency purposes
+  // Clear references to this colvar's cvcs as children
+  // for dependency purposes
   remove_all_children();
 
   for (std::vector<cvc *>::reverse_iterator ci = cvcs.rbegin();
@@ -1231,7 +1374,6 @@ int colvar::calc_cvc_gradients(int first_cvc, size_t num_cvcs)
 int colvar::collect_cvc_gradients()
 {
   size_t i;
-
   if (is_enabled(f_cv_collect_gradient)) {
     // Collect the atomic gradients inside colvar object
     for (unsigned int a = 0; a < atomic_gradients.size(); a++) {
@@ -1239,34 +1381,7 @@ int colvar::collect_cvc_gradients()
     }
     for (i = 0; i < cvcs.size(); i++) {
       if (!cvcs[i]->is_enabled()) continue;
-      // Coefficient: d(a * x^n) = a * n * x^(n-1) * dx
-      cvm::real coeff = (cvcs[i])->sup_coeff * cvm::real((cvcs[i])->sup_np) *
-        cvm::integer_power((cvcs[i])->value().real_value, (cvcs[i])->sup_np-1);
-
-      for (size_t j = 0; j < cvcs[i]->atom_groups.size(); j++) {
-
-        cvm::atom_group &ag = *(cvcs[i]->atom_groups[j]);
-
-        // If necessary, apply inverse rotation to get atomic
-        // gradient in the laboratory frame
-        if (ag.b_rotate) {
-          cvm::rotation const rot_inv = ag.rot.inverse();
-
-          for (size_t k = 0; k < ag.size(); k++) {
-            size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
-                                        ag[k].id) - atom_ids.begin();
-            atomic_gradients[a] += coeff * rot_inv.rotate(ag[k].grad);
-          }
-
-        } else {
-
-          for (size_t k = 0; k < ag.size(); k++) {
-            size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
-                                        ag[k].id) - atom_ids.begin();
-            atomic_gradients[a] += coeff * ag[k].grad;
-          }
-        }
-      }
+      cvcs[i]->collect_gradients(atom_ids, atomic_gradients);
     }
   }
   return COLVARS_OK;
@@ -1391,20 +1506,20 @@ int colvar::calc_colvar_properties()
     // initialize the restraint center in the first step to the value
     // just calculated from the cvcs
     if (cvm::step_relative() == 0 && !after_restart) {
-      xr = x;
-      vr.reset(); // (already 0; added for clarity)
+      x_ext = x;
+      v_ext.reset(); // (already 0; added for clarity)
     }
 
     // Special case of a repeated timestep (eg. multiple NAMD "run" statements)
     // revert values of the extended coordinate and velocity prior to latest integration
-    if (cvm::step_relative() == prev_timestep) {
-      xr = prev_xr;
-      vr = prev_vr;
+    if (cvm::proxy->simulation_running() && cvm::step_relative() == prev_timestep) {
+      x_ext = prev_x_ext;
+      v_ext = prev_v_ext;
     }
 
     // report the restraint center as "value"
-    x_reported = xr;
-    v_reported = vr;
+    x_reported = x_ext;
+    v_reported = v_ext;
     // the "total force" with the extended Lagrangian is
     // calculated in update_forces_energy() below
 
@@ -1458,77 +1573,86 @@ cvm::real colvar::update_forces_energy()
   // extended variable if there is one
 
   if (is_enabled(f_cv_extended_Lagrangian)) {
-    if (cvm::debug()) {
-      cvm::log("Updating extended-Lagrangian degree of freedom.\n");
-    }
-
-    if (prev_timestep > -1) {
-      // Keep track of slow timestep to integrate MTS colvars
-      // the colvar checks the interval after waking up twice
-      int n_timesteps = cvm::step_relative() - prev_timestep;
-      if (n_timesteps != 0 && n_timesteps != time_step_factor) {
-        cvm::error("Error: extended-Lagrangian " + description + " has timeStepFactor " +
-          cvm::to_str(time_step_factor) + ", but was activated after " + cvm::to_str(n_timesteps) +
-          " steps at timestep " + cvm::to_str(cvm::step_absolute()) + " (relative step: " +
-          cvm::to_str(cvm::step_relative()) + ").\n" +
-          "Make sure that this colvar is requested by biases at multiples of timeStepFactor.\n");
-        return 0.;
+    if (cvm::proxy->simulation_running()) {
+      // Only integrate the extended equations of motion in running MD simulations
+      if (cvm::debug()) {
+        cvm::log("Updating extended-Lagrangian degree of freedom.\n");
+      }
+
+      if (prev_timestep > -1) {
+        // Keep track of slow timestep to integrate MTS colvars
+        // the colvar checks the interval after waking up twice
+        int n_timesteps = cvm::step_relative() - prev_timestep;
+        if (n_timesteps != 0 && n_timesteps != time_step_factor) {
+          cvm::error("Error: extended-Lagrangian " + description + " has timeStepFactor " +
+            cvm::to_str(time_step_factor) + ", but was activated after " + cvm::to_str(n_timesteps) +
+            " steps at timestep " + cvm::to_str(cvm::step_absolute()) + " (relative step: " +
+            cvm::to_str(cvm::step_relative()) + ").\n" +
+            "Make sure that this colvar is requested by biases at multiples of timeStepFactor.\n");
+          return 0.;
+        }
       }
-    }
 
-    // Integrate with slow timestep (if time_step_factor != 1)
-    cvm::real dt = cvm::dt() * cvm::real(time_step_factor);
-
-    colvarvalue f_ext(fr.type()); // force acting on the extended variable
-    f_ext.reset();
-
-    // the total force is applied to the fictitious mass, while the
-    // atoms only feel the harmonic force + wall force
-    // fr: bias force on extended variable (without harmonic spring), for output in trajectory
-    // f_ext: total force on extended variable (including harmonic spring)
-    // f: - initially, external biasing force
-    //    - after this code block, colvar force to be applied to atomic coordinates
-    //      ie. spring force (fb_actual will be added just below)
-    fr    = f;
-    // External force has been scaled for a 1-timestep impulse, scale it back because we will
-    // integrate it with the colvar's own timestep factor
-    f_ext = f / cvm::real(time_step_factor);
-    f_ext += (-0.5 * ext_force_k) * this->dist2_lgrad(xr, x);
-    f      = (-0.5 * ext_force_k) * this->dist2_rgrad(xr, x);
-    // Coupling force is a slow force, to be applied to atomic coords impulse-style
-    f *= cvm::real(time_step_factor);
+      // Integrate with slow timestep (if time_step_factor != 1)
+      cvm::real dt = cvm::dt() * cvm::real(time_step_factor);
+
+      colvarvalue f_ext(fr.type()); // force acting on the extended variable
+      f_ext.reset();
+
+      // the total force is applied to the fictitious mass, while the
+      // atoms only feel the harmonic force + wall force
+      // fr: bias force on extended variable (without harmonic spring), for output in trajectory
+      // f_ext: total force on extended variable (including harmonic spring)
+      // f: - initially, external biasing force
+      //    - after this code block, colvar force to be applied to atomic coordinates
+      //      ie. spring force (fb_actual will be added just below)
+      fr    = f;
+      // External force has been scaled for a 1-timestep impulse, scale it back because we will
+      // integrate it with the colvar's own timestep factor
+      f_ext = f / cvm::real(time_step_factor);
+      f_ext += (-0.5 * ext_force_k) * this->dist2_lgrad(x_ext, x);
+      f      = (-0.5 * ext_force_k) * this->dist2_rgrad(x_ext, x);
+      // Coupling force is a slow force, to be applied to atomic coords impulse-style
+      f *= cvm::real(time_step_factor);
+
+      if (is_enabled(f_cv_subtract_applied_force)) {
+        // Report a "system" force without the biases on this colvar
+        // that is, just the spring force
+        ft_reported = (-0.5 * ext_force_k) * this->dist2_lgrad(x_ext, x);
+      } else {
+        // The total force acting on the extended variable is f_ext
+        // This will be used in the next timestep
+        ft_reported = f_ext;
+      }
 
-    if (is_enabled(f_cv_subtract_applied_force)) {
-      // Report a "system" force without the biases on this colvar
-      // that is, just the spring force
-      ft_reported = (-0.5 * ext_force_k) * this->dist2_lgrad(xr, x);
+      // backup in case we need to revert this integration timestep
+      // if the same MD timestep is re-run
+      prev_x_ext = x_ext;
+      prev_v_ext = v_ext;
+
+      // leapfrog: starting from x_i, f_i, v_(i-1/2)
+      v_ext  += (0.5 * dt) * f_ext / ext_mass;
+      // Because of leapfrog, kinetic energy at time i is approximate
+      kinetic_energy = 0.5 * ext_mass * v_ext * v_ext;
+      potential_energy = 0.5 * ext_force_k * this->dist2(x_ext, x);
+      // leap to v_(i+1/2)
+      if (is_enabled(f_cv_Langevin)) {
+        v_ext -= dt * ext_gamma * v_ext;
+        colvarvalue rnd(x);
+        rnd.set_random();
+        v_ext += dt * ext_sigma * rnd / ext_mass;
+      }
+      v_ext  += (0.5 * dt) * f_ext / ext_mass;
+      x_ext  += dt * v_ext;
+      x_ext.apply_constraints();
+      this->wrap(x_ext);
     } else {
-      // The total force acting on the extended variable is f_ext
-      // This will be used in the next timestep
-      ft_reported = f_ext;
-    }
-
-    // backup in case we need to revert this integration timestep
-    // if the same MD timestep is re-run
-    prev_xr = xr;
-    prev_vr = vr;
-
-    // leapfrog: starting from x_i, f_i, v_(i-1/2)
-    vr  += (0.5 * dt) * f_ext / ext_mass;
-    // Because of leapfrog, kinetic energy at time i is approximate
-    kinetic_energy = 0.5 * ext_mass * vr * vr;
-    potential_energy = 0.5 * ext_force_k * this->dist2(xr, x);
-    // leap to v_(i+1/2)
-    if (is_enabled(f_cv_Langevin)) {
-      vr -= dt * ext_gamma * vr;
-      colvarvalue rnd(x);
-      rnd.set_random();
-      vr += dt * ext_sigma * rnd / ext_mass;
-    }
-    vr  += (0.5 * dt) * f_ext / ext_mass;
-    xr  += dt * vr;
-    xr.apply_constraints();
-    this->wrap(xr);
+      // If this is a postprocessing run (eg. in VMD), the extended DOF
+      // is equal to the actual coordinate
+      x_ext = x;
+    }
+    // Report extended value
+    x_reported = x_ext;
   }
 
   // Now adding the force on the actual colvar (for those biases that
@@ -1730,7 +1854,7 @@ int colvar::update_cvc_config(std::vector<std::string> const &confs)
 
 
 // ******************** METRIC FUNCTIONS ********************
-// Use the metrics defined by \link cvc \endlink objects
+// Use the metrics defined by \link colvar::cvc \endlink objects
 
 
 bool colvar::periodic_boundaries(colvarvalue const &lb, colvarvalue const &ub) const
@@ -1742,7 +1866,7 @@ bool colvar::periodic_boundaries(colvarvalue const &lb, colvarvalue const &ub) c
   }
 
   if (period > 0.0) {
-    if ( ((std::sqrt(this->dist2(lb, ub))) / this->width)
+    if ( ((cvm::sqrt(this->dist2(lb, ub))) / this->width)
          < 1.0E-10 ) {
       return true;
     }
@@ -1792,21 +1916,21 @@ colvarvalue colvar::dist2_rgrad(colvarvalue const &x1,
   }
 }
 
-void colvar::wrap(colvarvalue &x) const
+
+void colvar::wrap(colvarvalue &x_unwrapped) const
 {
-  if ( !is_enabled(f_cv_periodic) ) {
+  if (!is_enabled(f_cv_periodic)) {
     return;
   }
 
   if ( is_enabled(f_cv_scripted) || is_enabled(f_cv_custom_function) ) {
     // Scripted functions do their own wrapping, as cvcs might not be periodic
-    cvm::real shift = std::floor((x.real_value - wrap_center) / period + 0.5);
-    x.real_value -= shift * period;
+    cvm::real shift = cvm::floor((x_unwrapped.real_value - wrap_center) /
+                                 period + 0.5);
+    x_unwrapped.real_value -= shift * period;
   } else {
-    cvcs[0]->wrap(x);
+    cvcs[0]->wrap(x_unwrapped);
   }
-
-  return;
 }
 
 
@@ -1852,15 +1976,15 @@ std::istream & colvar::read_restart(std::istream &is)
 
   if (is_enabled(f_cv_extended_Lagrangian)) {
 
-    if ( !(get_keyval(conf, "extended_x", xr,
+    if ( !(get_keyval(conf, "extended_x", x_ext,
                       colvarvalue(x.type()), colvarparse::parse_silent)) &&
-         !(get_keyval(conf, "extended_v", vr,
+         !(get_keyval(conf, "extended_v", v_ext,
                       colvarvalue(x.type()), colvarparse::parse_silent)) ) {
       cvm::log("Error: restart file does not contain "
                "\"extended_x\" or \"extended_v\" for the colvar \""+
                name+"\", but you requested \"extendedLagrangian\".\n");
     }
-    x_reported = xr;
+    x_reported = x_ext;
   } else {
     x_reported = x;
   }
@@ -1875,7 +1999,7 @@ std::istream & colvar::read_restart(std::istream &is)
     }
 
     if (is_enabled(f_cv_extended_Lagrangian)) {
-      v_reported = vr;
+      v_reported = v_ext;
     } else {
       v_reported = v_fdiff;
     }
@@ -1901,8 +2025,8 @@ std::istream & colvar::read_traj(std::istream &is)
     }
 
     if (is_enabled(f_cv_extended_Lagrangian)) {
-      is >> xr;
-      x_reported = xr;
+      is >> x_ext;
+      x_reported = x_ext;
     } else {
       x_reported = x;
     }
@@ -1913,8 +2037,8 @@ std::istream & colvar::read_traj(std::istream &is)
     is >> v_fdiff;
 
     if (is_enabled(f_cv_extended_Lagrangian)) {
-      is >> vr;
-      v_reported = vr;
+      is >> v_ext;
+      v_reported = v_ext;
     } else {
       v_reported = v_fdiff;
     }
@@ -1955,11 +2079,11 @@ std::ostream & colvar::write_restart(std::ostream &os) {
     os << "  extended_x "
        << std::setprecision(cvm::cv_prec)
        << std::setw(cvm::cv_width)
-       << xr << "\n"
+       << x_ext << "\n"
        << "  extended_v "
        << std::setprecision(cvm::cv_prec)
        << std::setw(cvm::cv_width)
-       << vr << "\n";
+       << v_ext << "\n";
   }
 
   os << "}\n\n";
@@ -2190,6 +2314,7 @@ int colvar::calc_acf()
       acf_x_history_p = acf_x_history.begin();
       break;
 
+    case acf_notset:
     default:
       break;
     }
@@ -2222,6 +2347,7 @@ int colvar::calc_acf()
       history_incr(acf_x_history, acf_x_history_p);
       break;
 
+    case acf_notset:
     default:
       break;
     }
@@ -2257,7 +2383,7 @@ void colvar::calc_vel_acf(std::list<colvarvalue> &v_list,
 
 
 void colvar::calc_coor_acf(std::list<colvarvalue> &x_list,
-                            colvarvalue const      &x)
+                           colvarvalue const &x_now)
 {
   // same as above but for coordinates
   if (x_list.size() >= acf_length+acf_offset) {
@@ -2269,7 +2395,7 @@ void colvar::calc_coor_acf(std::list<colvarvalue> &x_list,
 
     *(acf_i++) += x.norm2();
 
-    colvarvalue::inner_opt(x, xs_i, x_list.end(), acf_i);
+    colvarvalue::inner_opt(x_now, xs_i, x_list.end(), acf_i);
 
     acf_nframes++;
   }
@@ -2277,7 +2403,7 @@ void colvar::calc_coor_acf(std::list<colvarvalue> &x_list,
 
 
 void colvar::calc_p2coor_acf(std::list<colvarvalue> &x_list,
-                             colvarvalue const      &x)
+                             colvarvalue const &x_now)
 {
   // same as above but with second order Legendre polynomial instead
   // of just the scalar product
@@ -2291,7 +2417,7 @@ void colvar::calc_p2coor_acf(std::list<colvarvalue> &x_list,
     // value of P2(0) = 1
     *(acf_i++) += 1.0;
 
-    colvarvalue::p2leg_opt(x, xs_i, x_list.end(), acf_i);
+    colvarvalue::p2leg_opt(x_now, xs_i, x_list.end(), acf_i);
 
     acf_nframes++;
   }
@@ -2316,6 +2442,9 @@ int colvar::write_acf(std::ostream &os)
   case acf_p2coor:
     os << "Coordinate (2nd Legendre poly)";
     break;
+  case acf_notset:
+  default:
+    break;
   }
 
   if (acf_colvar_name == name) {
@@ -2420,7 +2549,7 @@ int colvar::calc_runave()
                    << std::setprecision(cvm::cv_prec) << std::setw(cvm::cv_width)
                    << runave << " "
                    << std::setprecision(cvm::cv_prec) << std::setw(cvm::cv_width)
-                   << std::sqrt(runave_variance) << "\n";
+                   << cvm::sqrt(runave_variance) << "\n";
       }
 
       history_add_value(runave_length, *x_history_p, x);
diff --git a/lib/colvars/colvar.h b/lib/colvars/colvar.h
index a67749d5777153b19cb7da09b3c7b914c564a9ac..74f7fdee5145debd991f7e726a09258e594b4491 100644
--- a/lib/colvars/colvar.h
+++ b/lib/colvars/colvar.h
@@ -92,7 +92,7 @@ public:
   static std::vector<feature *> cv_features;
 
   /// \brief Implementation of the feature list accessor for colvar
-  virtual const std::vector<feature *> &features()
+  virtual const std::vector<feature *> &features() const
   {
     return cv_features;
   }
@@ -133,7 +133,7 @@ protected:
 
     Here:
     S(x(t)) = x
-    s(t)    = xr
+    s(t)    = x_ext
     DS = Ds = delta
   */
 
@@ -170,13 +170,13 @@ protected:
 
   // Options for extended_lagrangian
   /// Restraint center
-  colvarvalue xr;
+  colvarvalue x_ext;
   /// Previous value of the restraint center;
-  colvarvalue prev_xr;
+  colvarvalue prev_x_ext;
   /// Velocity of the restraint center
-  colvarvalue vr;
+  colvarvalue v_ext;
   /// Previous velocity of the restraint center
-  colvarvalue prev_vr;
+  colvarvalue prev_v_ext;
   /// Mass of the restraint center
   cvm::real ext_mass;
   /// Restraint force constant
@@ -273,6 +273,9 @@ public:
   /// Init output flags
   int init_output_flags(std::string const &conf);
 
+  /// \brief Initialize dependency tree
+  virtual int init_dependencies();
+
 private:
   /// Parse the CVC configuration for all components of a certain type
   template<typename def_class_name> int init_components_type(std::string const &conf,
@@ -373,7 +376,7 @@ protected:
   void update_active_cvc_square_norm();
 
   /// \brief Absolute timestep number when this colvar was last updated
-  int prev_timestep;
+  cvm::step_number prev_timestep;
 
 public:
 
@@ -383,32 +386,32 @@ public:
   /// \brief Return the number of CVC objects with an active flag (as set by update_cvc_flags)
   inline size_t num_active_cvcs() const { return n_active_cvcs; }
 
-  /// \brief Use the internal metrics (as from \link cvc
+  /// \brief Use the internal metrics (as from \link colvar::cvc
   /// \endlink objects) to calculate square distances and gradients
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   cvm::real dist2(colvarvalue const &x1,
                   colvarvalue const &x2) const;
 
-  /// \brief Use the internal metrics (as from \link cvc
+  /// \brief Use the internal metrics (as from \link colvar::cvc
   /// \endlink objects) to calculate square distances and gradients
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   colvarvalue dist2_lgrad(colvarvalue const &x1,
                           colvarvalue const &x2) const;
 
-  /// \brief Use the internal metrics (as from \link cvc
+  /// \brief Use the internal metrics (as from \link colvar::cvc
   /// \endlink objects) to calculate square distances and gradients
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   colvarvalue dist2_rgrad(colvarvalue const &x1,
                           colvarvalue const &x2) const;
 
-  /// \brief Use the internal metrics (as from \link cvc
+  /// \brief Use the internal metrics (as from \link colvar::cvc
   /// \endlink objects) to wrap a value into a standard interval
   ///
   /// Handles correctly symmetries and periodic boundary conditions
-  void wrap(colvarvalue &x) const;
+  void wrap(colvarvalue &x_unwrapped) const;
 
 
   /// Read the analysis tasks
@@ -546,6 +549,7 @@ public:
   class polar_phi;
   class distance_inv;
   class distance_pairs;
+  class dipole_magnitude;
   class angle;
   class dipole_angle;
   class dihedral;
@@ -574,7 +578,7 @@ public:
 
 protected:
 
-  /// \brief Array of \link cvc \endlink objects
+  /// \brief Array of \link colvar::cvc \endlink objects
   std::vector<cvc *> cvcs;
 
   /// \brief Flags to enable or disable cvcs at next colvar evaluation
@@ -619,6 +623,9 @@ public:
   inline size_t n_components() const {
     return cvcs.size();
   }
+
+  /// \brief Get vector of vectors of atom IDs for all atom groups
+  virtual std::vector<std::vector<int> > get_atom_lists();
 };
 
 inline cvm::real const & colvar::force_constant() const
@@ -655,6 +662,8 @@ inline colvarvalue const & colvar::total_force() const
 
 inline void colvar::add_bias_force(colvarvalue const &force)
 {
+  check_enabled(f_cv_gradient,
+                std::string("applying a force to the variable \""+name+"\""));
   if (cvm::debug()) {
     cvm::log("Adding biasing force "+cvm::to_str(force)+" to colvar \""+name+"\".\n");
   }
diff --git a/lib/colvars/colvar_UIestimator.h b/lib/colvars/colvar_UIestimator.h
index 759b8d54a034800bd9bebce1cb34753ca6bcef89..365f46148a671ae964e2b33604240b030b7dc455 100644
--- a/lib/colvars/colvar_UIestimator.h
+++ b/lib/colvars/colvar_UIestimator.h
@@ -33,24 +33,24 @@ namespace UIestimator {
 
     public:
         n_matrix() {}
-        n_matrix(const std::vector<double> & lowerboundary,   // lowerboundary of x
-            const std::vector<double> & upperboundary,   // upperboundary of
-            const std::vector<double> & width,           // width of x
-            const int y_size) {          // size of y, for example, ysize=7, then when x=1, the distribution of y in [-2,4] is considered
+        n_matrix(const std::vector<double> & lowerboundary_input,   // lowerboundary of x
+            const std::vector<double> & upperboundary_input,   // upperboundary of
+            const std::vector<double> & width_input,           // width of x
+            const int y_size_input) {          // size of y, for example, ysize=7, then when x=1, the distribution of y in [-2,4] is considered
 
             int i;
 
-            this->lowerboundary = lowerboundary;
-            this->upperboundary = upperboundary;
-            this->width = width;
-            this->dimension = lowerboundary.size();
-            this->y_size = y_size;     // keep in mind the internal (spare) matrix is stored in diagonal form
-            this->y_total_size = int(std::pow(double(y_size), double(dimension)) + EPSILON);
+            this->lowerboundary = lowerboundary_input;
+            this->upperboundary = upperboundary_input;
+            this->width = width_input;
+            this->dimension = lowerboundary_input.size();
+            this->y_size = y_size_input;     // keep in mind the internal (spare) matrix is stored in diagonal form
+            this->y_total_size = int(cvm::pow(double(y_size_input), double(dimension)) + EPSILON);
 
             // the range of the matrix is [lowerboundary, upperboundary]
             x_total_size = 1;
             for (i = 0; i < dimension; i++) {
-                x_size.push_back(int((upperboundary[i] - lowerboundary[i]) / width[i] + EPSILON));
+                x_size.push_back(int((upperboundary_input[i] - lowerboundary_input[i]) / width_input[i] + EPSILON));
                 x_total_size *= x_size[i];
             }
 
@@ -89,9 +89,10 @@ namespace UIestimator {
 
         std::vector<int> temp;         // this vector is used in convert_x and convert_y to save computational resource
 
-        int i, j;
-
         int convert_x(const std::vector<double> & x) {       // convert real x value to its interal index
+
+            int i, j;
+
             for (i = 0; i < dimension; i++) {
                 temp[i] = int((x[i] - lowerboundary[i]) / width[i] + EPSILON);
             }
@@ -121,7 +122,7 @@ namespace UIestimator {
             int index = 0;
             for (i = 0; i < dimension; i++) {
                 if (i + 1 < dimension)
-                    index += temp[i] * int(std::pow(double(y_size), double(dimension - i - 1)) + EPSILON);
+                    index += temp[i] * int(cvm::pow(double(y_size), double(dimension - i - 1)) + EPSILON);
                 else
                     index += temp[i];
             }
@@ -139,19 +140,19 @@ namespace UIestimator {
 
     public:
         n_vector() {}
-        n_vector(const std::vector<double> & lowerboundary,   // lowerboundary of x
-            const std::vector<double> & upperboundary,   // upperboundary of
-            const std::vector<double> & width,                // width of x
-            const int y_size,           // size of y, for example, ysize=7, then when x=1, the distribution of y in [-2,4] is considered
+        n_vector(const std::vector<double> & lowerboundary_input,   // lowerboundary of x
+            const std::vector<double> & upperboundary_input,   // upperboundary of
+            const std::vector<double> & width_input,                // width of x
+            const int y_size_input,           // size of y, for example, ysize=7, then when x=1, the distribution of y in [-2,4] is considered
             const T & default_value) {         //   the default value of T
 
-            this->width = width;
-            this->dimension = lowerboundary.size();
+            this->width = width_input;
+            this->dimension = lowerboundary_input.size();
 
             x_total_size = 1;
             for (int i = 0; i < dimension; i++) {
-                this->lowerboundary.push_back(lowerboundary[i] - (y_size - 1) / 2 * width[i] - EPSILON);
-                this->upperboundary.push_back(upperboundary[i] + (y_size - 1) / 2 * width[i] + EPSILON);
+                this->lowerboundary.push_back(lowerboundary_input[i] - (y_size_input - 1) / 2 * width_input[i] - EPSILON);
+                this->upperboundary.push_back(upperboundary_input[i] + (y_size_input - 1) / 2 * width_input[i] + EPSILON);
 
                 x_size.push_back(int((this->upperboundary[i] - this->lowerboundary[i]) / this->width[i] + EPSILON));
                 x_total_size *= x_size[i];
@@ -215,26 +216,26 @@ namespace UIestimator {
         UIestimator() {}
 
         //called when (re)start an eabf simulation
-        UIestimator(const std::vector<double> & lowerboundary,
-            const std::vector<double> & upperboundary,
-            const std::vector<double> & width,
-            const std::vector<double> & krestr,                // force constant in eABF
-            const std::string & output_filename,              // the prefix of output files
-            const int output_freq,
-            const bool restart,                              // whether restart from a .count and a .grad file
-            const std::vector<std::string> & input_filename,   // the prefixes of input files
-            const double temperature) {
+        UIestimator(const std::vector<double> & lowerboundary_input,
+            const std::vector<double> & upperboundary_input,
+            const std::vector<double> & width_input,
+            const std::vector<double> & krestr_input,                // force constant in eABF
+            const std::string & output_filename_input,              // the prefix of output files
+            const int output_freq_input,
+            const bool restart_input,                              // whether restart from a .count and a .grad file
+            const std::vector<std::string> & input_filename_input,   // the prefixes of input files
+            const double temperature_input) {
 
             // initialize variables
-            this->lowerboundary = lowerboundary;
-            this->upperboundary = upperboundary;
-            this->width = width;
-            this->krestr = krestr;
-            this->output_filename = output_filename;
-            this->output_freq = output_freq;
-            this->restart = restart;
-            this->input_filename = input_filename;
-            this->temperature = temperature;
+            this->lowerboundary = lowerboundary_input;
+            this->upperboundary = upperboundary_input;
+            this->width = width_input;
+            this->krestr = krestr_input;
+            this->output_filename = output_filename_input;
+            this->output_freq = output_freq_input;
+            this->restart = restart_input;
+            this->input_filename = input_filename_input;
+            this->temperature = temperature_input;
 
             int i, j;
 
@@ -300,7 +301,7 @@ namespace UIestimator {
         ~UIestimator() {}
 
         // called from MD engine every step
-        bool update(const int step, std::vector<double> x, std::vector<double> y) {
+        bool update(cvm::step_number step, std::vector<double> x, std::vector<double> y) {
 
             int i;
 
@@ -431,7 +432,7 @@ namespace UIestimator {
                     loop_flag_y[k] = loop_flag_x[k] - HALF_Y_SIZE * width[k];
                 }
 
-                int j = 0;
+                j = 0;
                 while (j >= 0) {
                     norm += distribution_x_y.get_value(loop_flag_x, loop_flag_y);
                     for (k = 0; k < dimension; k++) {
@@ -672,7 +673,7 @@ namespace UIestimator {
         }
 
         // read input files
-        void read_inputfiles(const std::vector<std::string> input_filename)
+        void read_inputfiles(const std::vector<std::string> filename)
         {
             char sharp;
             double nothing;
@@ -683,11 +684,11 @@ namespace UIestimator {
             std::vector<double> position_temp(dimension, 0);
             std::vector<double> grad_temp(dimension, 0);
             int count_temp = 0;
-            for (i = 0; i < int(input_filename.size()); i++) {
+            for (i = 0; i < int(filename.size()); i++) {
                 int size = 1 , size_temp = 0;
 
-                std::string count_filename = input_filename[i] + ".UI.count";
-                std::string grad_filename = input_filename[i] + ".UI.grad";
+                std::string count_filename = filename[i] + ".UI.count";
+                std::string grad_filename = filename[i] + ".UI.grad";
 
                 std::ifstream count_file(count_filename.c_str(), std::ios::in);
                 std::ifstream grad_file(grad_filename.c_str(), std::ios::in);
diff --git a/lib/colvars/colvaratoms.cpp b/lib/colvars/colvaratoms.cpp
index 3315007b5435bfff77ccb6cfdf9cb5816139f666..eeb7985fec63ef33c78195f45fff7a1bd6fc9fba 100644
--- a/lib/colvars/colvaratoms.cpp
+++ b/lib/colvars/colvaratoms.cpp
@@ -22,7 +22,7 @@ cvm::atom::atom()
   index = -1;
   id = -1;
   mass = 1.0;
-  charge = 1.0;
+  charge = 0.0;
   reset_data();
 }
 
@@ -107,6 +107,8 @@ cvm::atom_group::~atom_group()
     delete fitting_group;
     fitting_group = NULL;
   }
+
+  cvm::main()->unregister_named_atom_group(this);
 }
 
 
@@ -183,10 +185,7 @@ int cvm::atom_group::init()
   // These may be overwritten by parse(), if a name is provided
 
   atoms.clear();
-
-  // TODO: check with proxy whether atom forces etc are available
-  init_ag_requires();
-
+  init_dependencies();
   index = -1;
 
   b_dummy = false;
@@ -207,8 +206,67 @@ int cvm::atom_group::init()
 }
 
 
+int cvm::atom_group::init_dependencies() {
+  size_t i;
+  // Initialize static array once and for all
+  if (features().size() == 0) {
+    for (i = 0; i < f_ag_ntot; i++) {
+      modify_features().push_back(new feature);
+    }
+
+    init_feature(f_ag_active, "active", f_type_dynamic);
+    init_feature(f_ag_center, "translational fit", f_type_static);
+    init_feature(f_ag_rotate, "rotational fit", f_type_static);
+    init_feature(f_ag_fitting_group, "fitting group", f_type_static);
+    init_feature(f_ag_explicit_gradient, "explicit atom gradient", f_type_dynamic);
+    init_feature(f_ag_fit_gradients, "fit gradients", f_type_user);
+    require_feature_self(f_ag_fit_gradients, f_ag_explicit_gradient);
+
+    init_feature(f_ag_atom_forces, "atomic forces", f_type_dynamic);
+
+    // parallel calculation implies that we have at least a scalable center of mass,
+    // but f_ag_scalable is kept as a separate feature to deal with future dependencies
+    init_feature(f_ag_scalable, "scalable group calculation", f_type_static);
+    init_feature(f_ag_scalable_com, "scalable group center of mass calculation", f_type_static);
+    require_feature_self(f_ag_scalable, f_ag_scalable_com);
+
+    // check that everything is initialized
+    for (i = 0; i < colvardeps::f_ag_ntot; i++) {
+      if (is_not_set(i)) {
+        cvm::error("Uninitialized feature " + cvm::to_str(i) + " in " + description);
+      }
+    }
+  }
+
+  // Initialize feature_states for each instance
+  // default as unavailable, not enabled
+  feature_states.reserve(f_ag_ntot);
+  for (i = 0; i < colvardeps::f_ag_ntot; i++) {
+    feature_states.push_back(feature_state(false, false));
+  }
+
+  // Features that are implemented (or not) by all atom groups
+  feature_states[f_ag_active].available = true;
+  // f_ag_scalable_com is provided by the CVC iff it is COM-based
+  feature_states[f_ag_scalable_com].available = false;
+  // TODO make f_ag_scalable depend on f_ag_scalable_com (or something else)
+  feature_states[f_ag_scalable].available = true;
+  feature_states[f_ag_fit_gradients].available = true;
+  feature_states[f_ag_fitting_group].available = true;
+  feature_states[f_ag_explicit_gradient].available = true;
+
+  return COLVARS_OK;
+}
+
+
 int cvm::atom_group::setup()
 {
+  if (atoms_ids.size() == 0) {
+    atoms_ids.reserve(atoms.size());
+    for (cvm::atom_iter ai = atoms.begin(); ai != atoms.end(); ai++) {
+      atoms_ids.push_back(ai->id);
+    }
+  }
   for (cvm::atom_iter ai = atoms.begin(); ai != atoms.end(); ai++) {
     ai->update_mass();
     ai->update_charge();
@@ -237,15 +295,6 @@ void cvm::atom_group::update_total_mass()
 }
 
 
-void cvm::atom_group::reset_mass(std::string &name, int i, int j)
-{
-  update_total_mass();
-  cvm::log("Re-initialized atom group "+name+":"+cvm::to_str(i)+"/"+
-           cvm::to_str(j)+". "+ cvm::to_str(atoms_ids.size())+
-           " atoms: total mass = "+cvm::to_str(total_mass)+".\n");
-}
-
-
 void cvm::atom_group::update_total_charge()
 {
   if (b_dummy) {
@@ -264,6 +313,19 @@ void cvm::atom_group::update_total_charge()
 }
 
 
+void cvm::atom_group::print_properties(std::string const &colvar_name,
+                                       int i, int j)
+{
+  if (cvm::proxy->updated_masses() && cvm::proxy->updated_charges()) {
+    cvm::log("Re-initialized atom group for variable \""+colvar_name+"\":"+
+             cvm::to_str(i)+"/"+
+             cvm::to_str(j)+". "+ cvm::to_str(atoms_ids.size())+
+             " atoms: total mass = "+cvm::to_str(total_mass)+
+             ", total charge = "+cvm::to_str(total_charge)+".\n");
+  }
+}
+
+
 int cvm::atom_group::parse(std::string const &group_conf)
 {
   cvm::log("Initializing atom group \""+key+"\".\n");
@@ -450,10 +512,21 @@ int cvm::atom_group::parse(std::string const &group_conf)
   if (cvm::debug())
     cvm::log("Done initializing atom group \""+key+"\".\n");
 
-  cvm::log("Atom group \""+key+"\" defined, "+
-            cvm::to_str(atoms_ids.size())+" atoms initialized: total mass = "+
-            cvm::to_str(total_mass)+", total charge = "+
-            cvm::to_str(total_charge)+".\n");
+  {
+    std::string init_msg;
+    init_msg.append("Atom group \""+key+"\" defined with "+
+                    cvm::to_str(atoms_ids.size())+" atoms requested");
+    if ((cvm::proxy)->updated_masses()) {
+      init_msg.append(": total mass = "+
+                      cvm::to_str(total_mass));
+      if ((cvm::proxy)->updated_charges()) {
+        init_msg.append(", total charge = "+
+                        cvm::to_str(total_charge));
+      }
+    }
+    init_msg.append(".\n");
+    cvm::log(init_msg);
+  }
 
   if (b_print_atom_ids) {
     cvm::log("Internal definition of the atom group:\n");
@@ -464,7 +537,7 @@ int cvm::atom_group::parse(std::string const &group_conf)
 }
 
 
-int cvm::atom_group::add_atoms_of_group(atom_group const * ag)
+int cvm::atom_group::add_atoms_of_group(atom_group const *ag)
 {
   std::vector<int> const &source_ids = ag->atoms_ids;
 
@@ -696,6 +769,7 @@ int cvm::atom_group::parse_fitting_options(std::string const &group_conf)
           return INPUT_ERROR;
         }
       }
+      enable(f_ag_fitting_group);
     }
 
     atom_group *group_for_fit = fitting_group ? fitting_group : this;
@@ -800,24 +874,24 @@ int cvm::atom_group::create_sorted_ids()
 
   // Sort the internal IDs
   std::list<int> sorted_atoms_ids_list;
-  for (size_t i = 0; i < this->size(); i++) {
+  for (size_t i = 0; i < atoms_ids.size(); i++) {
     sorted_atoms_ids_list.push_back(atoms_ids[i]);
   }
   sorted_atoms_ids_list.sort();
   sorted_atoms_ids_list.unique();
-  if (sorted_atoms_ids_list.size() != this->size()) {
+  if (sorted_atoms_ids_list.size() != atoms_ids.size()) {
     return cvm::error("Error: duplicate atom IDs in atom group? (found " +
                       cvm::to_str(sorted_atoms_ids_list.size()) +
                       " unique atom IDs instead of " +
-                      cvm::to_str(this->size()) + ").\n", BUG_ERROR);
+                      cvm::to_str(atoms_ids.size()) + ").\n", BUG_ERROR);
   }
 
   // Compute map between sorted and unsorted elements
-  sorted_atoms_ids.resize(this->size());
-  sorted_atoms_ids_map.resize(this->size());
+  sorted_atoms_ids.resize(atoms_ids.size());
+  sorted_atoms_ids_map.resize(atoms_ids.size());
   std::list<int>::iterator lsii = sorted_atoms_ids_list.begin();
   size_t ii = 0;
-  for ( ; ii < this->size(); lsii++, ii++) {
+  for ( ; ii < atoms_ids.size(); lsii++, ii++) {
     sorted_atoms_ids[ii] = *lsii;
     size_t const pos = std::find(atoms_ids.begin(), atoms_ids.end(), *lsii) -
       atoms_ids.begin();
@@ -1038,15 +1112,15 @@ int cvm::atom_group::calc_center_of_mass()
 }
 
 
-int cvm::atom_group::calc_dipole(cvm::atom_pos const &com)
+int cvm::atom_group::calc_dipole(cvm::atom_pos const &dipole_center)
 {
   if (b_dummy) {
-    cvm::error("Error: trying to compute the dipole of an empty group.\n", INPUT_ERROR);
-    return COLVARS_ERROR;
+    return cvm::error("Error: trying to compute the dipole "
+                      "of a dummy group.\n", INPUT_ERROR);
   }
   dip.reset();
   for (cvm::atom_const_iter ai = this->begin(); ai != this->end(); ai++) {
-    dip += ai->charge * (ai->pos - com);
+    dip += ai->charge * (ai->pos - dipole_center);
   }
   return COLVARS_OK;
 }
@@ -1056,13 +1130,12 @@ void cvm::atom_group::set_weighted_gradient(cvm::rvector const &grad)
 {
   if (b_dummy) return;
 
-  if (is_enabled(f_ag_scalable)) {
-    scalar_com_gradient = grad;
-    return;
-  }
+  scalar_com_gradient = grad;
 
-  for (cvm::atom_iter ai = this->begin(); ai != this->end(); ai++) {
-    ai->grad = (ai->mass/total_mass) * grad;
+  if (!is_enabled(f_ag_scalable)) {
+    for (cvm::atom_iter ai = this->begin(); ai != this->end(); ai++) {
+      ai->grad = (ai->mass/total_mass) * grad;
+    }
   }
 }
 
diff --git a/lib/colvars/colvaratoms.h b/lib/colvars/colvaratoms.h
index 0b0dd62c7080418df542bccc69cf2f7ab6d84b8e..9756e0e36481ce44ee15ca4db53d3c2e2ff4bc54 100644
--- a/lib/colvars/colvaratoms.h
+++ b/lib/colvars/colvaratoms.h
@@ -17,7 +17,7 @@
 
 
 /// \brief Stores numeric id, mass and all mutable data for an atom,
-/// mostly used by a \link cvc \endlink
+/// mostly used by a \link colvar::cvc \endlink
 ///
 /// This class may be used to keep atomic data such as id, mass,
 /// position and collective variable derivatives) altogether.
@@ -63,7 +63,7 @@ public:
   /// from the \link colvarvalue \endlink class), which is also the
   /// most frequent case. For more complex types of \link
   /// colvarvalue \endlink objects, atomic gradients should be
-  /// defined within the specific \link cvc \endlink
+  /// defined within the specific \link colvar::cvc \endlink
   /// implementation
   cvm::rvector   grad;
 
@@ -100,13 +100,19 @@ public:
   /// Get the latest value of the mass
   inline void update_mass()
   {
-    mass = (cvm::proxy)->get_atom_mass(index);
+    colvarproxy *p = cvm::proxy;
+    if (p->updated_masses()) {
+      mass = p->get_atom_mass(index);
+    }
   }
 
   /// Get the latest value of the charge
   inline void update_charge()
   {
-    charge = (cvm::proxy)->get_atom_charge(index);
+    colvarproxy *p = cvm::proxy;
+    if (p->updated_charges()) {
+      charge = p->get_atom_charge(index);
+    }
   }
 
   /// Get the current position
@@ -145,7 +151,7 @@ public:
 
 
 /// \brief Group of \link atom \endlink objects, mostly used by a
-/// \link cvc \endlink object to gather all atomic data
+/// \link colvar::cvc \endlink object to gather all atomic data
 class colvarmodule::atom_group
   : public colvarparse, public colvardeps
 {
@@ -174,6 +180,9 @@ public:
   /// \brief Set default values for common flags
   int init();
 
+  /// \brief Initialize dependency tree
+  virtual int init_dependencies();
+
   /// \brief Update data required to calculate cvc's
   int setup();
 
@@ -198,16 +207,16 @@ public:
   /// \brief Remove an atom object from this group
   int remove_atom(cvm::atom_iter ai);
 
-  /// \brief Re-initialize the total mass of a group.
+  /// \brief Print the updated the total mass and charge of a group.
   /// This is needed in case the hosting MD code has an option to
   /// change atom masses after their initialization.
-  void reset_mass(std::string &name, int i, int j);
+  void print_properties(std::string const &colvar_name, int i, int j);
 
   /// \brief Implementation of the feature list for atom group
   static std::vector<feature *> ag_features;
 
   /// \brief Implementation of the feature list accessor for atom group
-  virtual const std::vector<feature *> &features()
+  virtual const std::vector<feature *> &features() const
   {
     return ag_features;
   }
@@ -347,15 +356,19 @@ public:
 
   /// Total mass of the atom group
   cvm::real total_mass;
+
+  /// Update the total mass of the atom group
   void update_total_mass();
 
   /// Total charge of the atom group
   cvm::real total_charge;
+
+  /// Update the total mass of the group
   void update_total_charge();
 
   /// \brief Don't apply any force on this group (use its coordinates
   /// only to calculate a colvar)
-  bool        noforce;
+  bool noforce;
 
   /// \brief Get the current positions
   void read_positions();
@@ -423,20 +436,32 @@ public:
   /// \brief Calculate the center of mass of the atomic positions, assuming that
   /// they are already pbc-wrapped
   int calc_center_of_mass();
+
 private:
+
   /// \brief Center of mass
   cvm::atom_pos com;
+
   /// \brief The derivative of a scalar variable with respect to the COM
   // TODO for scalable calculations of more complex variables (e.g. rotation),
   // use a colvarvalue of vectors to hold the entire derivative
   cvm::rvector scalar_com_gradient;
+
 public:
-  /// \brief Return the center of mass of the atomic positions
+
+  /// \brief Return the center of mass (COM) of the atomic positions
   inline cvm::atom_pos center_of_mass() const
   {
     return com;
   }
 
+  /// \brief Return previously gradient of scalar variable with respect to the
+  /// COM
+  inline cvm::rvector center_of_mass_scalar_gradient() const
+  {
+    return scalar_com_gradient;
+  }
+
   /// \brief Return a copy of the current atom positions, shifted by a constant vector
   std::vector<cvm::atom_pos> positions_shifted(cvm::rvector const &shift) const;
 
@@ -444,10 +469,15 @@ public:
   std::vector<cvm::rvector> velocities() const;
 
   ///\brief Calculate the dipole of the atom group around the specified center
-  int calc_dipole(cvm::atom_pos const &com);
+  int calc_dipole(cvm::atom_pos const &dipole_center);
+
 private:
+
+  /// Dipole moment of the atom group
   cvm::rvector dip;
+
 public:
+
   ///\brief Return the (previously calculated) dipole of the atom group
   inline cvm::rvector dipole() const
   {
diff --git a/lib/colvars/colvarbias.cpp b/lib/colvars/colvarbias.cpp
index 9363fcdcb62f9f9725a6245295451ef23935e0d1..724326d3b4029c5bc570e0d2df1de9485bf52e7c 100644
--- a/lib/colvars/colvarbias.cpp
+++ b/lib/colvars/colvarbias.cpp
@@ -17,15 +17,14 @@
 colvarbias::colvarbias(char const *key)
   : bias_type(to_lower_cppstr(key))
 {
-  init_cvb_requires();
-
+  description = "uninitialized " + cvm::to_str(key) + " bias";
+  init_dependencies();
   rank = 1;
 
   has_data = false;
   b_output_energy = false;
   reset();
-  state_file_step = 0;
-  description = "uninitialized " + cvm::to_str(key) + " bias";
+  state_file_step = 0L;
 }
 
 
@@ -76,6 +75,7 @@ int colvarbias::init(std::string const &conf)
       cvm::error("Error: no collective variables specified.\n", INPUT_ERROR);
       return INPUT_ERROR;
     }
+
   } else {
     cvm::log("Reinitializing bias \""+name+"\".\n");
   }
@@ -98,6 +98,70 @@ int colvarbias::init(std::string const &conf)
 }
 
 
+int colvarbias::init_dependencies() {
+  int i;
+  if (features().size() == 0) {
+    for (i = 0; i < f_cvb_ntot; i++) {
+      modify_features().push_back(new feature);
+    }
+
+    init_feature(f_cvb_active, "active", f_type_dynamic);
+    require_feature_children(f_cvb_active, f_cv_active);
+
+    init_feature(f_cvb_awake, "awake", f_type_static);
+    require_feature_self(f_cvb_awake, f_cvb_active);
+
+    init_feature(f_cvb_apply_force, "apply force", f_type_user);
+    require_feature_children(f_cvb_apply_force, f_cv_gradient);
+
+    init_feature(f_cvb_get_total_force, "obtain total force", f_type_dynamic);
+    require_feature_children(f_cvb_get_total_force, f_cv_total_force);
+
+    init_feature(f_cvb_output_acc_work, "output accumulated work", f_type_user);
+    require_feature_self(f_cvb_output_acc_work, f_cvb_apply_force);
+
+    init_feature(f_cvb_history_dependent, "history-dependent", f_type_static);
+
+    init_feature(f_cvb_time_dependent, "time-dependent", f_type_static);
+
+    init_feature(f_cvb_scalar_variables, "require scalar variables", f_type_static);
+    require_feature_children(f_cvb_scalar_variables, f_cv_scalar);
+
+    init_feature(f_cvb_calc_pmf, "calculate a PMF", f_type_static);
+
+    init_feature(f_cvb_calc_ti_samples, "calculate TI samples", f_type_dynamic);
+    require_feature_self(f_cvb_calc_ti_samples, f_cvb_get_total_force);
+    require_feature_children(f_cvb_calc_ti_samples, f_cv_grid);
+
+    init_feature(f_cvb_write_ti_samples, "write TI samples ", f_type_user);
+    require_feature_self(f_cvb_write_ti_samples, f_cvb_calc_ti_samples);
+
+    init_feature(f_cvb_write_ti_pmf, "write TI PMF", f_type_user);
+    require_feature_self(f_cvb_write_ti_pmf, f_cvb_calc_ti_samples);
+
+    // check that everything is initialized
+    for (i = 0; i < colvardeps::f_cvb_ntot; i++) {
+      if (is_not_set(i)) {
+        cvm::error("Uninitialized feature " + cvm::to_str(i) + " in " + description);
+      }
+    }
+  }
+
+  // Initialize feature_states for each instance
+  feature_states.reserve(f_cvb_ntot);
+  for (i = 0; i < f_cvb_ntot; i++) {
+    feature_states.push_back(feature_state(true, false));
+    // Most features are available, so we set them so
+    // and list exceptions below
+  }
+
+  // only compute TI samples when deriving from colvarbias_ti
+  feature_states[f_cvb_calc_ti_samples].available = false;
+
+  return COLVARS_OK;
+}
+
+
 int colvarbias::reset()
 {
   bias_energy = 0.0;
@@ -217,6 +281,9 @@ int colvarbias::update()
 
 void colvarbias::communicate_forces()
 {
+  if (! is_enabled(f_cvb_apply_force)) {
+    return;
+  }
   size_t i = 0;
   for (i = 0; i < num_variables(); i++) {
     if (cvm::debug()) {
@@ -345,7 +412,8 @@ std::istream & colvarbias::read_state(std::istream &is)
        (set_state_params(conf) != COLVARS_OK) ) {
     cvm::error("Error: in reading state configuration for \""+bias_type+"\" bias \""+
                this->name+"\" at position "+
-               cvm::to_str(is.tellg())+" in stream.\n", INPUT_ERROR);
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n", INPUT_ERROR);
     is.clear();
     is.seekg(start_pos, std::ios::beg);
     is.setstate(std::ios::failbit);
@@ -355,7 +423,8 @@ std::istream & colvarbias::read_state(std::istream &is)
   if (!read_state_data(is)) {
     cvm::error("Error: in reading state data for \""+bias_type+"\" bias \""+
                this->name+"\" at position "+
-               cvm::to_str(is.tellg())+" in stream.\n", INPUT_ERROR);
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n", INPUT_ERROR);
     is.clear();
     is.seekg(start_pos, std::ios::beg);
     is.setstate(std::ios::failbit);
@@ -365,7 +434,8 @@ std::istream & colvarbias::read_state(std::istream &is)
   if (brace != "}") {
     cvm::error("Error: corrupt restart information for \""+bias_type+"\" bias \""+
                this->name+"\": no matching brace at position "+
-               cvm::to_str(is.tellg())+" in stream.\n");
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n");
     is.setstate(std::ios::failbit);
   }
 
@@ -381,7 +451,8 @@ std::istream & colvarbias::read_state_data_key(std::istream &is, char const *key
        !(key_in == to_lower_cppstr(std::string(key))) ) {
     cvm::error("Error: in reading restart configuration for "+
                bias_type+" bias \""+this->name+"\" at position "+
-               cvm::to_str(is.tellg())+" in stream.\n", INPUT_ERROR);
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n", INPUT_ERROR);
     is.clear();
     is.seekg(start_pos, std::ios::beg);
     is.setstate(std::ios::failbit);
@@ -640,7 +711,7 @@ int colvarbias_ti::write_output_files()
       cvm::proxy->close_output_stream(ti_count_file_name);
     }
 
-    std::string const ti_grad_file_name(ti_output_prefix+".ti.grad");
+    std::string const ti_grad_file_name(ti_output_prefix+".ti.force");
     os = cvm::proxy->output_stream(ti_grad_file_name);
     if (os) {
       ti_avg_forces->write_multicol(*os);
diff --git a/lib/colvars/colvarbias.h b/lib/colvars/colvarbias.h
index 391826e79ea296d27755f5695264125c51ff6da5..eac88a7f182caf2226f4088f4c6ffd12628edce1 100644
--- a/lib/colvars/colvarbias.h
+++ b/lib/colvars/colvarbias.h
@@ -96,6 +96,9 @@ public:
   /// \brief Parse config string and (re)initialize
   virtual int init(std::string const &conf);
 
+  /// \brief Initialize dependency tree
+  virtual int init_dependencies();
+
   /// \brief Set to zero all mutable data
   virtual int reset();
 
@@ -181,7 +184,7 @@ public:
   static std::vector<feature *> cvb_features;
 
   /// \brief Implementation of the feature list accessor for colvarbias
-  virtual const std::vector<feature *> &features()
+  virtual const std::vector<feature *> &features() const
   {
     return cvb_features;
   }
@@ -220,7 +223,7 @@ protected:
   bool                     has_data;
 
   /// \brief Step number read from the last state file
-  size_t                   state_file_step;
+  cvm::step_number         state_file_step;
 
 };
 
diff --git a/lib/colvars/colvarbias_abf.cpp b/lib/colvars/colvarbias_abf.cpp
index e5edd92ae6bc6fbf6ca7b503fec926df590092aa..bac021be99e83fa7cbed567f9a2f9afd5cec02d5 100644
--- a/lib/colvars/colvarbias_abf.cpp
+++ b/lib/colvars/colvarbias_abf.cpp
@@ -191,10 +191,10 @@ int colvarbias_abf::init(std::string const &conf)
       // Projected ABF
       get_keyval(conf, "pABFintegrateFreq", pabf_freq, 0);
       // Parameters for integrating initial (and final) gradient data
-      get_keyval(conf, "integrateInitSteps", integrate_initial_steps, 1e4);
+      get_keyval(conf, "integrateInitMaxIterations", integrate_initial_iterations, 1e4);
       get_keyval(conf, "integrateInitTol", integrate_initial_tol, 1e-6);
       // for updating the integrated PMF on the fly
-      get_keyval(conf, "integrateSteps", integrate_steps, 100);
+      get_keyval(conf, "integrateMaxIterations", integrate_iterations, 100);
       get_keyval(conf, "integrateTol", integrate_tol, 1e-4);
     }
   } else {
@@ -366,10 +366,10 @@ int colvarbias_abf::update()
     if ( b_integrate ) {
       if ( pabf_freq && cvm::step_relative() % pabf_freq == 0 ) {
         cvm::real err;
-        int iter = pmf->integrate(integrate_steps, integrate_tol, err);
-        if ( iter == integrate_steps ) {
+        int iter = pmf->integrate(integrate_iterations, integrate_tol, err);
+        if ( iter == integrate_iterations ) {
           cvm::log("Warning: PMF integration did not converge to " + cvm::to_str(integrate_tol)
-            + " in " + cvm::to_str(integrate_steps)
+            + " in " + cvm::to_str(integrate_iterations)
             + " steps. Residual error: " +  cvm::to_str(err));
         }
         pmf->set_zero_minimum(); // TODO: do this only when necessary
@@ -597,7 +597,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
   if (b_integrate) {
     // Do numerical integration (to high precision) and output a PMF
     cvm::real err;
-    pmf->integrate(integrate_initial_steps, integrate_initial_tol, err);
+    pmf->integrate(integrate_initial_iterations, integrate_initial_tol, err);
     pmf->set_zero_minimum();
 
     std::string  pmf_out_name = prefix + ".pmf";
@@ -661,7 +661,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
       // Do numerical integration (to high precision) and output a PMF
       cvm::real err;
       czar_pmf->set_div();
-      czar_pmf->integrate(integrate_initial_steps, integrate_initial_tol, err);
+      czar_pmf->integrate(integrate_initial_iterations, integrate_initial_tol, err);
       czar_pmf->set_zero_minimum();
 
       std::string  czar_pmf_out_name = prefix + ".czar.pmf";
diff --git a/lib/colvars/colvarbias_abf.h b/lib/colvars/colvarbias_abf.h
index 52bf2df210b669e60940ca6fe96db97b0e004c2b..4bcc149da5773ddac10a795bb5bcde349b6c2175 100644
--- a/lib/colvars/colvarbias_abf.h
+++ b/lib/colvars/colvarbias_abf.h
@@ -27,9 +27,13 @@ class colvarbias_abf : public colvarbias {
 
 public:
 
+  /// Constructor for ABF bias
   colvarbias_abf(char const *key);
+  /// Initializer for ABF bias
   virtual int init(std::string const &conf);
+  /// Default destructor for ABF bias
   virtual ~colvarbias_abf();
+  /// Per-timestep update of ABF bias
   virtual int update();
 
 private:
@@ -40,11 +44,17 @@ private:
   /// Base filename(s) for reading previous gradient data (replaces data from restart file)
   std::vector<std::string> input_prefix;
 
+  /// Adapt the bias at each time step (as opposed to keeping it constant)?
   bool    update_bias;
+  /// Use normalized definition of PMF for distance functions? (flat at long distances)
+  /// by including the Jacobian term separately of the recorded PMF
   bool    hide_Jacobian;
+  /// Integrate gradients into a PMF on output
   bool    b_integrate;
 
+  /// Number of samples per bin before applying the full biasing force
   size_t  full_samples;
+  /// Number of samples per bin before applying a scaled-down biasing force
   size_t  min_samples;
   /// frequency for updating output files
   int     output_freq;
@@ -52,6 +62,7 @@ private:
   bool    b_history_files;
   /// Write CZAR output file for stratified eABF (.zgrad)
   bool    b_czar_window_file;
+  /// Number of timesteps between recording data in history files (if non-zero)
   size_t  history_freq;
   /// Umbrella Integration estimator of free energy from eABF
   UIestimator::UIestimator eabf_UI;
@@ -63,25 +74,30 @@ private:
   /// Frequency for updating pABF PMF (if zero, pABF is not used)
   int   pabf_freq;
   /// Max number of CG iterations for integrating PMF at startup and for file output
-  int       integrate_initial_steps;
+  int       integrate_initial_iterations;
   /// Tolerance for integrating PMF at startup and for file output
   cvm::real integrate_initial_tol;
   /// Max number of CG iterations for integrating PMF at on-the-fly pABF updates
-  int       integrate_steps;
+  int       integrate_iterations;
   /// Tolerance for integrating PMF at on-the-fly pABF updates
   cvm::real integrate_tol;
 
-  /// Cap the biasing force to be applied?
+  /// Cap the biasing force to be applied? (option maxForce)
   bool                    cap_force;
+  /// Maximum force to be applied
   std::vector<cvm::real>  max_force;
 
-  // Frequency for updating 2D gradients
-  int integrate_freq;
-
   // Internal data and methods
 
-  std::vector<int>  bin, force_bin, z_bin;
-  gradient_t    system_force, applied_force;
+  /// Current bin in sample grid
+  std::vector<int>  bin;
+  /// Current bin in force grid
+  std::vector<int> force_bin;
+  /// Cuurent bin in "actual" coordinate, when running extended Lagrangian dynamics
+  std::vector<int> z_bin;
+
+  /// Measured instantaneous system force
+  gradient_t system_force;
 
   /// n-dim grid of free energy gradients
   colvar_grid_gradient  *gradients;
@@ -118,7 +134,7 @@ private:
   // shared ABF
   bool    shared_on;
   size_t  shared_freq;
-  int     shared_last_step;
+  cvm::step_number shared_last_step;
   // Share between replicas -- may be called independently of update
   virtual int replica_share();
 
diff --git a/lib/colvars/colvarbias_histogram.h b/lib/colvars/colvarbias_histogram.h
index b9c1b499502d9de0995396e3a8d5a83de2cf8ca7..23565caa5c20dbd6745f96ad21fb4478403496a6 100644
--- a/lib/colvars/colvarbias_histogram.h
+++ b/lib/colvars/colvarbias_histogram.h
@@ -37,7 +37,7 @@ protected:
   std::string out_name, out_name_dx;
   size_t output_freq;
 
-  /// If one or more of the variables are \link type_vector \endlink, treat them as arrays of this length
+  /// If one or more of the variables are \link colvarvalue::type_vector \endlink, treat them as arrays of this length
   size_t colvar_array_size;
   /// If colvar_array_size is larger than 1, weigh each one by this number before accumulating the histogram
   std::vector<cvm::real> weights;
diff --git a/lib/colvars/colvarbias_meta.cpp b/lib/colvars/colvarbias_meta.cpp
index f3ae3631a02f2478cb62a7f9a84e7535926501c4..27781ec73323be842d2f715359ea648fcd005644 100644
--- a/lib/colvars/colvarbias_meta.cpp
+++ b/lib/colvars/colvarbias_meta.cpp
@@ -11,7 +11,6 @@
 #include <sstream>
 #include <fstream>
 #include <iomanip>
-#include <cmath>
 #include <algorithm>
 
 // used to set the absolute path of a replica file
@@ -39,6 +38,8 @@ colvarbias_meta::colvarbias_meta(char const *key)
   new_hills_begin = hills.end();
   hills_traj_os = NULL;
   replica_hills_os = NULL;
+
+  ebmeta_equil_steps = 0L;
 }
 
 
@@ -61,7 +62,7 @@ int colvarbias_meta::init(std::string const &conf)
     enable(f_cvb_history_dependent);
   }
 
-  get_keyval(conf, "hillWidth", hill_width, std::sqrt(2.0 * PI) / 2.0);
+  get_keyval(conf, "hillWidth", hill_width, cvm::sqrt(2.0 * PI) / 2.0);
   cvm::log("Half-widths of the Gaussian hills (sigma's):\n");
   for (size_t i = 0; i < num_variables(); i++) {
     cvm::log(variables(i)->name+std::string(": ")+
@@ -201,6 +202,7 @@ int colvarbias_meta::init_ebmeta_params(std::string const &conf)
     }
     target_dist = new colvar_grid_scalar();
     target_dist->init_from_colvars(colvars);
+    std::string target_dist_file;
     get_keyval(conf, "targetdistfile", target_dist_file);
     std::ifstream targetdiststream(target_dist_file.c_str());
     target_dist->read_multicol(targetdiststream);
@@ -221,9 +223,9 @@ int colvarbias_meta::init_ebmeta_params(std::string const &conf)
     }
     // normalize target distribution and multiply by effective volume = exp(differential entropy)
     target_dist->multiply_constant(1.0/target_dist->integral());
-    cvm::real volume = std::exp(target_dist->entropy());
+    cvm::real volume = cvm::exp(target_dist->entropy());
     target_dist->multiply_constant(volume);
-    get_keyval(conf, "ebMetaEquilSteps", ebmeta_equil_steps, 0);
+    get_keyval(conf, "ebMetaEquilSteps", ebmeta_equil_steps, ebmeta_equil_steps);
   }
 
   return COLVARS_OK;
@@ -291,7 +293,7 @@ colvarbias_meta::create_hill(colvarbias_meta::hill const &h)
     // need to be computed analytically when the colvar returns
     // off-grid
     cvm::real const min_dist = hills_energy->bin_distance_from_boundaries(h.centers, true);
-    if (min_dist < (3.0 * std::floor(hill_width)) + 1.0) {
+    if (min_dist < (3.0 * cvm::floor(hill_width)) + 1.0) {
       hills_off_grid.push_back(h);
     }
   }
@@ -387,7 +389,7 @@ int colvarbias_meta::update_grid_params()
       // first of all, expand the grids, if specified
       bool changed_grids = false;
       int const min_buffer =
-        (3 * (size_t) std::floor(hill_width)) + 1;
+        (3 * (size_t) cvm::floor(hill_width)) + 1;
 
       std::vector<int>         new_sizes(hills_energy->sizes());
       std::vector<colvarvalue> new_lower_boundaries(hills_energy->lower_boundaries);
@@ -492,9 +494,9 @@ int colvarbias_meta::update_bias()
 
     if (ebmeta) {
       hills_scale *= 1.0/target_dist->value(target_dist->get_colvars_index());
-      if(cvm::step_absolute() <= long(ebmeta_equil_steps)) {
+      if(cvm::step_absolute() <= ebmeta_equil_steps) {
         cvm::real const hills_lambda =
-          (cvm::real(long(ebmeta_equil_steps) - cvm::step_absolute())) /
+          (cvm::real(ebmeta_equil_steps - cvm::step_absolute())) /
           (cvm::real(ebmeta_equil_steps));
         hills_scale = hills_lambda + (1-hills_lambda)*hills_scale;
       }
@@ -508,7 +510,7 @@ int colvarbias_meta::update_bias()
       } else {
         calc_hills(new_hills_begin, hills.end(), hills_energy_sum_here);
       }
-      hills_scale *= std::exp(-1.0*hills_energy_sum_here/(bias_temperature*cvm::boltzmann()));
+      hills_scale *= cvm::exp(-1.0*hills_energy_sum_here/(bias_temperature*cvm::boltzmann()));
     }
 
     switch (comm) {
@@ -710,7 +712,7 @@ void colvarbias_meta::calc_hills(colvarbias_meta::hill_iter      h_first,
       // set it to zero if the exponent is more negative than log(1.0E-05)
       h->value(0.0);
     } else {
-      h->value(std::exp(-0.5*cv_sqdev));
+      h->value(cvm::exp(-0.5*cv_sqdev));
     }
     energy += h->energy();
   }
@@ -904,7 +906,7 @@ void colvarbias_meta::recount_hills_off_grid(colvarbias_meta::hill_iter  h_first
 
   for (hill_iter h = h_first; h != h_last; h++) {
     cvm::real const min_dist = hills_energy->bin_distance_from_boundaries(h->centers, true);
-    if (min_dist < (3.0 * std::floor(hill_width)) + 1.0) {
+    if (min_dist < (3.0 * cvm::floor(hill_width)) + 1.0) {
       hills_off_grid.push_back(*h);
     }
   }
@@ -1427,8 +1429,8 @@ std::istream & colvarbias_meta::read_hill(std::istream &is)
     return is;
   }
 
-  size_t h_it;
-  get_keyval(data, "step", h_it, 0, parse_silent);
+  cvm::step_number h_it;
+  get_keyval(data, "step", h_it, 0L, parse_silent);
   if (h_it <= state_file_step) {
     if (cvm::debug())
       cvm::log("Skipping a hill older than the state file for metadynamics bias \""+
@@ -1457,7 +1459,7 @@ std::istream & colvarbias_meta::read_hill(std::istream &is)
 
   std::vector<cvm::real> h_widths(num_variables());
   get_keyval(data, "widths", h_widths,
-             std::vector<cvm::real>(num_variables(), (std::sqrt(2.0 * PI) / 2.0)),
+             std::vector<cvm::real>(num_variables(), (cvm::sqrt(2.0 * PI) / 2.0)),
              parse_silent);
 
   std::string h_replica = "";
@@ -1482,7 +1484,7 @@ std::istream & colvarbias_meta::read_hill(std::istream &is)
     // be computed analytically
     cvm::real const min_dist =
       hills_energy->bin_distance_from_boundaries((hills.back()).centers, true);
-    if (min_dist < (3.0 * std::floor(hill_width)) + 1.0) {
+    if (min_dist < (3.0 * cvm::floor(hill_width)) + 1.0) {
       hills_off_grid.push_back(hills.back());
     }
   }
diff --git a/lib/colvars/colvarbias_meta.h b/lib/colvars/colvarbias_meta.h
index 78b2d35d41bb581d9b6da2297cf5886285415de5..0ba2bef1c32e3f4ddcac72ec97b7bd97201caa13 100644
--- a/lib/colvars/colvarbias_meta.h
+++ b/lib/colvars/colvarbias_meta.h
@@ -19,8 +19,8 @@
 #include "colvargrid.h"
 
 /// Metadynamics bias (implementation of \link colvarbias \endlink)
-class colvarbias_meta 
-  : public virtual colvarbias, 
+class colvarbias_meta
+  : public virtual colvarbias,
     public virtual colvarbias_ti
 {
 
@@ -174,12 +174,14 @@ protected:
   /// \brief Biasing temperature in well-tempered metadynamics
   cvm::real  bias_temperature;
 
-  // EBmeta parameters
+  /// Ensemble-biased metadynamics (EBmeta) flag
   bool       ebmeta;
+
+  /// Target distribution for EBmeta
   colvar_grid_scalar* target_dist;
-  std::string target_dist_file;
-  cvm::real target_dist_volume;
-  size_t ebmeta_equil_steps;
+
+  /// Number of equilibration steps for EBmeta
+  cvm::step_number ebmeta_equil_steps;
 
 
   /// \brief Try to read the restart information by allocating new
@@ -285,7 +287,7 @@ public:
   friend class colvarbias_meta;
 
   /// Time step at which this hill was added
-  size_t      it;
+  cvm::step_number it;
 
   /// Identity of the replica who added this hill (only in multiple replica simulations)
   std::string replica;
@@ -296,9 +298,9 @@ public:
   /// replica (optional) Identity of the replica which creates the
   /// hill
   inline hill(cvm::real             const &W_in,
-               std::vector<colvar *>       &cv,
-               cvm::real             const &hill_width,
-               std::string           const &replica_in = "")
+              std::vector<colvar *>       &cv,
+              cvm::real             const &hill_width,
+              std::string           const &replica_in = "")
     : sW(1.0),
       W(W_in),
       centers(cv.size()),
@@ -325,11 +327,11 @@ public:
   /// weight Weight of the hill \param centers Center of the hill
   /// \param widths Width of the hill around centers \param replica
   /// (optional) Identity of the replica which creates the hill
-  inline hill(size_t                    const &it_in,
-               cvm::real                 const &W_in,
-               std::vector<colvarvalue>  const &centers_in,
-               std::vector<cvm::real>    const &widths_in,
-               std::string               const &replica_in = "")
+  inline hill(cvm::step_number          const &it_in,
+              cvm::real                 const &W_in,
+              std::vector<colvarvalue>  const &centers_in,
+              std::vector<cvm::real>    const &widths_in,
+              std::string               const &replica_in = "")
     : sW(1.0),
       W(W_in),
       centers(centers_in),
diff --git a/lib/colvars/colvarbias_restraint.cpp b/lib/colvars/colvarbias_restraint.cpp
index 2daf7a0876e42ed59a351c02cbf1844cde1916f2..90588f5a1fcfa2a4371cc55f0ca2c38902f98ed5 100644
--- a/lib/colvars/colvarbias_restraint.cpp
+++ b/lib/colvars/colvarbias_restraint.cpp
@@ -7,8 +7,6 @@
 // If you wish to distribute your changes, please submit them to the
 // Colvars repository at GitHub.
 
-#include <cmath>
-
 #include "colvarmodule.h"
 #include "colvarproxy.h"
 #include "colvarvalue.h"
@@ -179,7 +177,7 @@ int colvarbias_restraint_k::change_configuration(std::string const &conf)
 colvarbias_restraint_moving::colvarbias_restraint_moving(char const *key)
 {
   target_nstages = 0;
-  target_nsteps = 0;
+  target_nsteps = 0L;
   stage = 0;
   acc_work = 0.0;
   b_chg_centers = false;
@@ -241,8 +239,8 @@ int colvarbias_restraint_moving::set_state_params(std::string const &conf)
 {
   if (b_chg_centers || b_chg_force_k) {
     if (target_nstages) {
-      if (!get_keyval(conf, "stage", stage))
-        cvm::error("Error: current stage is missing from the restart.\n");
+      get_keyval(conf, "stage", stage, stage,
+                 colvarparse::parse_restart | colvarparse::parse_required);
     }
   }
   return COLVARS_OK;
@@ -436,13 +434,13 @@ int colvarbias_restraint_centers_moving::set_state_params(std::string const &con
   colvarbias_restraint::set_state_params(conf);
 
   if (b_chg_centers) {
-    //    cvm::log ("Reading the updated restraint centers from the restart.\n");
-    if (!get_keyval(conf, "centers", colvar_centers))
-      cvm::error("Error: restraint centers are missing from the restart.\n");
-    if (is_enabled(f_cvb_output_acc_work)) {
-      if (!get_keyval(conf, "accumulatedWork", acc_work))
-        cvm::error("Error: accumulatedWork is missing from the restart.\n");
-    }
+    get_keyval(conf, "centers", colvar_centers, colvar_centers,
+               colvarparse::parse_restart | colvarparse::parse_required);
+  }
+
+  if (is_enabled(f_cvb_output_acc_work)) {
+    get_keyval(conf, "accumulatedWork", acc_work, acc_work,
+               colvarparse::parse_restart | colvarparse::parse_required);
   }
 
   return COLVARS_OK;
@@ -563,7 +561,7 @@ int colvarbias_restraint_k_moving::update()
           lambda = 0.0;
         }
         force_k = starting_force_k + (target_force_k - starting_force_k)
-          * std::pow(lambda, force_k_exp);
+          * cvm::pow(lambda, force_k_exp);
           cvm::log("Restraint " + this->name + ", stage " + cvm::to_str(stage)
                   + " : lambda = " + cvm::to_str(lambda)
                   + ", k = " + cvm::to_str(force_k));
@@ -585,7 +583,7 @@ int colvarbias_restraint_k_moving::update()
         for (size_t i = 0; i < num_variables(); i++) {
           dU_dk += d_restraint_potential_dk(i);
         }
-        restraint_FE += force_k_exp * std::pow(lambda, force_k_exp - 1.0)
+        restraint_FE += force_k_exp * cvm::pow(lambda, force_k_exp - 1.0)
           * (target_force_k - starting_force_k) * dU_dk;
       }
 
@@ -608,7 +606,7 @@ int colvarbias_restraint_k_moving::update()
             lambda = cvm::real(stage) / cvm::real(target_nstages);
           }
           force_k = starting_force_k + (target_force_k - starting_force_k)
-            * std::pow(lambda, force_k_exp);
+            * cvm::pow(lambda, force_k_exp);
           cvm::log("Restraint " + this->name + ", stage " + cvm::to_str(stage)
                   + " : lambda = " + cvm::to_str(lambda)
                   + ", k = " + cvm::to_str(force_k));
@@ -622,7 +620,7 @@ int colvarbias_restraint_k_moving::update()
       lambda = cvm::real(cvm::step_absolute()) / cvm::real(target_nsteps);
       cvm::real const force_k_old = force_k;
       force_k = starting_force_k + (target_force_k - starting_force_k)
-        * std::pow(lambda, force_k_exp);
+        * cvm::pow(lambda, force_k_exp);
       force_k_incr = force_k - force_k_old;
     }
   }
@@ -672,13 +670,13 @@ int colvarbias_restraint_k_moving::set_state_params(std::string const &conf)
   colvarbias_restraint::set_state_params(conf);
 
   if (b_chg_force_k) {
-    //    cvm::log ("Reading the updated force constant from the restart.\n");
-    if (!get_keyval(conf, "forceConstant", force_k, force_k))
-      cvm::error("Error: force constant is missing from the restart.\n");
-    if (is_enabled(f_cvb_output_acc_work)) {
-      if (!get_keyval(conf, "accumulatedWork", acc_work))
-        cvm::error("Error: accumulatedWork is missing from the restart.\n");
-    }
+    get_keyval(conf, "forceConstant", force_k, force_k,
+               colvarparse::parse_restart | colvarparse::parse_required);
+  }
+
+  if (is_enabled(f_cvb_output_acc_work)) {
+    get_keyval(conf, "accumulatedWork", acc_work, acc_work,
+               colvarparse::parse_restart | colvarparse::parse_required);
   }
 
   return COLVARS_OK;
@@ -719,7 +717,8 @@ std::istream & colvarbias_restraint::read_state(std::istream &is)
        (set_state_params(conf) != COLVARS_OK) ) {
     cvm::error("Error: in reading state configuration for \""+bias_type+"\" bias \""+
                this->name+"\" at position "+
-               cvm::to_str(is.tellg())+" in stream.\n", INPUT_ERROR);
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n", INPUT_ERROR);
     is.clear();
     is.seekg(start_pos, std::ios::beg);
     is.setstate(std::ios::failbit);
@@ -729,7 +728,8 @@ std::istream & colvarbias_restraint::read_state(std::istream &is)
   if (!read_state_data(is)) {
     cvm::error("Error: in reading state data for \""+bias_type+"\" bias \""+
                this->name+"\" at position "+
-               cvm::to_str(is.tellg())+" in stream.\n", INPUT_ERROR);
+               cvm::to_str(static_cast<size_t>(is.tellg()))+
+               " in stream.\n", INPUT_ERROR);
     is.clear();
     is.seekg(start_pos, std::ios::beg);
     is.setstate(std::ios::failbit);
@@ -740,7 +740,7 @@ std::istream & colvarbias_restraint::read_state(std::istream &is)
     cvm::log("brace = "+brace+"\n");
     cvm::error("Error: corrupt restart information for \""+bias_type+"\" bias \""+
                this->name+"\": no matching brace at position "+
-               cvm::to_str(is.tellg())+" in stream.\n");
+               cvm::to_str(static_cast<size_t>(is.tellg()))+" in stream.\n");
     is.setstate(std::ios::failbit);
   }
 
@@ -787,11 +787,11 @@ int colvarbias_restraint_harmonic::init(std::string const &conf)
   colvarbias_restraint_k_moving::init(conf);
 
   for (size_t i = 0; i < num_variables(); i++) {
-    if (variables(i)->width != 1.0)
-      cvm::log("The force constant for colvar \""+variables(i)->name+
-               "\" will be rescaled to "+
-               cvm::to_str(force_k / (variables(i)->width * variables(i)->width))+
-               " according to the specified width.\n");
+    cvm::real const w = variables(i)->width;
+    cvm::log("The force constant for colvar \""+variables(i)->name+
+             "\" will be rescaled to "+
+             cvm::to_str(force_k/(w*w))+
+             " according to the specified width ("+cvm::to_str(w)+").\n");
   }
 
   return COLVARS_OK;
@@ -1014,7 +1014,7 @@ int colvarbias_restraint_harmonic_walls::init(std::string const &conf)
                  INPUT_ERROR);
       return INPUT_ERROR;
     }
-    force_k = std::sqrt(lower_wall_k * upper_wall_k);
+    force_k = cvm::sqrt(lower_wall_k * upper_wall_k);
     // transform the two constants to relative values using gemetric mean as ref
     // to preserve force_k if provided as single parameter
     // (allow changing both via force_k)
@@ -1037,25 +1037,21 @@ int colvarbias_restraint_harmonic_walls::init(std::string const &conf)
 
   if (lower_walls.size() > 0) {
     for (i = 0; i < num_variables(); i++) {
-      if (variables(i)->width != 1.0)
-        cvm::log("The lower wall force constant for colvar \""+
-                 variables(i)->name+
-                 "\" will be rescaled to "+
-                 cvm::to_str(lower_wall_k * force_k /
-                             (variables(i)->width * variables(i)->width))+
-                 " according to the specified width.\n");
+      cvm::real const w = variables(i)->width;
+      cvm::log("The lower wall force constant for colvar \""+
+               variables(i)->name+"\" will be rescaled to "+
+               cvm::to_str(lower_wall_k * force_k / (w*w))+
+               " according to the specified width ("+cvm::to_str(w)+").\n");
     }
   }
 
   if (upper_walls.size() > 0) {
     for (i = 0; i < num_variables(); i++) {
-      if (variables(i)->width != 1.0)
-        cvm::log("The upper wall force constant for colvar \""+
-                 variables(i)->name+
-                 "\" will be rescaled to "+
-                 cvm::to_str(upper_wall_k * force_k /
-                             (variables(i)->width * variables(i)->width))+
-                 " according to the specified width.\n");
+      cvm::real const w = variables(i)->width;
+      cvm::log("The upper wall force constant for colvar \""+
+               variables(i)->name+"\" will be rescaled to "+
+               cvm::to_str(upper_wall_k * force_k / (w*w))+
+               " according to the specified width ("+cvm::to_str(w)+").\n");
     }
   }
 
@@ -1225,11 +1221,11 @@ int colvarbias_restraint_linear::init(std::string const &conf)
                  INPUT_ERROR);
       return INPUT_ERROR;
     }
-    if (variables(i)->width != 1.0)
-      cvm::log("The force constant for colvar \""+variables(i)->name+
-               "\" will be rescaled to "+
-               cvm::to_str(force_k / variables(i)->width)+
-               " according to the specified width.\n");
+    cvm::real const w = variables(i)->width;
+    cvm::log("The force constant for colvar \""+variables(i)->name+
+             "\" will be rescaled to "+
+             cvm::to_str(force_k / w)+
+             " according to the specified width ("+cvm::to_str(w)+").\n");
   }
 
   return COLVARS_OK;
@@ -1367,6 +1363,7 @@ colvarbias_restraint_histogram::colvarbias_restraint_histogram(char const *key)
 int colvarbias_restraint_histogram::init(std::string const &conf)
 {
   colvarbias::init(conf);
+  enable(f_cvb_apply_force);
 
   get_keyval(conf, "lowerBoundary", lower_boundary, lower_boundary);
   get_keyval(conf, "upperBoundary", upper_boundary, upper_boundary);
@@ -1390,7 +1387,7 @@ int colvarbias_restraint_histogram::init(std::string const &conf)
   cvm::real const nbins = (upper_boundary - lower_boundary) / width;
   int const nbins_round = (int)(nbins);
 
-  if (std::fabs(nbins - cvm::real(nbins_round)) > 1.0E-10) {
+  if (cvm::fabs(nbins - cvm::real(nbins_round)) > 1.0E-10) {
     cvm::log("Warning: grid interval ("+
              cvm::to_str(lower_boundary, cvm::cv_width, cvm::cv_prec)+" - "+
              cvm::to_str(upper_boundary, cvm::cv_width, cvm::cv_prec)+
@@ -1440,7 +1437,7 @@ int colvarbias_restraint_histogram::init(std::string const &conf)
     }
   }
   cvm::real const ref_integral = ref_p.sum() * width;
-  if (std::fabs(ref_integral - 1.0) > 1.0e-03) {
+  if (cvm::fabs(ref_integral - 1.0) > 1.0e-03) {
     cvm::log("Reference distribution not normalized, normalizing to unity.\n");
     ref_p /= ref_integral;
   }
@@ -1471,7 +1468,7 @@ int colvarbias_restraint_histogram::update()
     vector_size += variables(icv)->value().size();
   }
 
-  cvm::real const norm = 1.0/(std::sqrt(2.0*PI)*gaussian_width*vector_size);
+  cvm::real const norm = 1.0/(cvm::sqrt(2.0*PI)*gaussian_width*vector_size);
 
   // calculate the histogram
   p.reset();
@@ -1482,7 +1479,7 @@ int colvarbias_restraint_histogram::update()
       size_t igrid;
       for (igrid = 0; igrid < p.size(); igrid++) {
         cvm::real const x_grid = (lower_boundary + (igrid+0.5)*width);
-        p[igrid] += norm * std::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
+        p[igrid] += norm * cvm::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
                                     (2.0 * gaussian_width * gaussian_width));
       }
     } else if (cv.type() == colvarvalue::type_vector) {
@@ -1492,7 +1489,7 @@ int colvarbias_restraint_histogram::update()
         size_t igrid;
         for (igrid = 0; igrid < p.size(); igrid++) {
           cvm::real const x_grid = (lower_boundary + (igrid+0.5)*width);
-          p[igrid] += norm * std::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
+          p[igrid] += norm * cvm::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
                                       (2.0 * gaussian_width * gaussian_width));
         }
       }
@@ -1523,7 +1520,7 @@ int colvarbias_restraint_histogram::update()
       for (igrid = 0; igrid < p.size(); igrid++) {
         cvm::real const x_grid = (lower_boundary + (igrid+0.5)*width);
         force += force_k_cv * p_diff[igrid] *
-          norm * std::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
+          norm * cvm::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
                           (2.0 * gaussian_width * gaussian_width)) *
           (-1.0 * (x_grid - cv_value) / (gaussian_width * gaussian_width));
       }
@@ -1536,7 +1533,7 @@ int colvarbias_restraint_histogram::update()
         for (igrid = 0; igrid < p.size(); igrid++) {
           cvm::real const x_grid = (lower_boundary + (igrid+0.5)*width);
           force += force_k_cv * p_diff[igrid] *
-            norm * std::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
+            norm * cvm::exp(-1.0 * (x_grid - cv_value) * (x_grid - cv_value) /
                             (2.0 * gaussian_width * gaussian_width)) *
             (-1.0 * (x_grid - cv_value) / (gaussian_width * gaussian_width));
         }
@@ -1550,7 +1547,7 @@ int colvarbias_restraint_histogram::update()
 }
 
 
-std::ostream & colvarbias_restraint_histogram::write_restart(std::ostream &os)
+int colvarbias_restraint_histogram::write_output_files()
 {
   if (b_write_histogram) {
     std::string file_name(cvm::output_prefix()+"."+this->name+".hist.dat");
@@ -1558,6 +1555,9 @@ std::ostream & colvarbias_restraint_histogram::write_restart(std::ostream &os)
     *os << "# " << cvm::wrap_string(variables(0)->name, cvm::cv_width)
         << "  " << "p(" << cvm::wrap_string(variables(0)->name, cvm::cv_width-3)
         << ")\n";
+
+    os->setf(std::ios::fixed, std::ios::floatfield);
+
     size_t igrid;
     for (igrid = 0; igrid < p.size(); igrid++) {
       cvm::real const x_grid = (lower_boundary + (igrid+1)*width);
@@ -1572,13 +1572,7 @@ std::ostream & colvarbias_restraint_histogram::write_restart(std::ostream &os)
     }
     cvm::proxy->close_output_stream(file_name);
   }
-  return os;
-}
-
-
-std::istream & colvarbias_restraint_histogram::read_restart(std::istream &is)
-{
-  return is;
+  return COLVARS_OK;
 }
 
 
diff --git a/lib/colvars/colvarbias_restraint.h b/lib/colvars/colvarbias_restraint.h
index 3ee999c2624cfe0cfd9997a2ae096106631444ec..6493f7f16b70a69cff92555c31292bc71a676c44 100644
--- a/lib/colvars/colvarbias_restraint.h
+++ b/lib/colvars/colvarbias_restraint.h
@@ -132,7 +132,7 @@ protected:
 
   /// \brief Number of steps required to reach the target force constant
   /// or restraint centers
-  long target_nsteps;
+  cvm::step_number target_nsteps;
 
   /// \brief Accumulated work (computed when outputAccumulatedWork == true)
   cvm::real acc_work;
@@ -328,8 +328,7 @@ public:
 
   virtual int update();
 
-  virtual std::istream & read_restart(std::istream &is);
-  virtual std::ostream & write_restart(std::ostream &os);
+  virtual int write_output_files();
   virtual std::ostream & write_traj_label(std::ostream &os);
   virtual std::ostream & write_traj(std::ostream &os);
 
diff --git a/lib/colvars/colvarcomp.cpp b/lib/colvars/colvarcomp.cpp
index cb272eed059b0d029bfb030f4966eaca54b52b13..3075ed82caa35d924caaba2360c7eeb03540922a 100644
--- a/lib/colvars/colvarcomp.cpp
+++ b/lib/colvars/colvarcomp.cpp
@@ -20,7 +20,8 @@ colvar::cvc::cvc()
     b_periodic(false),
     b_try_scalable(true)
 {
-  init_cvc_requires();
+  description = "uninitialized colvar component";
+  init_dependencies();
   sup_coeff = 1.0;
   period = 0.0;
   wrap_center = 0.0;
@@ -33,7 +34,8 @@ colvar::cvc::cvc(std::string const &conf)
     b_periodic(false),
     b_try_scalable(true)
 {
-  init_cvc_requires();
+  description = "uninitialized colvar component";
+  init_dependencies();
   sup_coeff = 1.0;
   period = 0.0;
   wrap_center = 0.0;
@@ -176,6 +178,100 @@ cvm::atom_group *colvar::cvc::parse_group(std::string const &conf,
 }
 
 
+int colvar::cvc::init_dependencies() {
+  size_t i;
+  // Initialize static array once and for all
+  if (features().size() == 0) {
+    for (i = 0; i < colvardeps::f_cvc_ntot; i++) {
+      modify_features().push_back(new feature);
+    }
+
+    init_feature(f_cvc_active, "active", f_type_dynamic);
+//     The dependency below may become useful if we use dynamic atom groups
+//     require_feature_children(f_cvc_active, f_ag_active);
+
+    init_feature(f_cvc_scalar, "scalar", f_type_static);
+
+    init_feature(f_cvc_gradient, "gradient", f_type_dynamic);
+
+    init_feature(f_cvc_explicit_gradient, "explicit gradient", f_type_static);
+    require_feature_children(f_cvc_explicit_gradient, f_ag_explicit_gradient);
+
+    init_feature(f_cvc_inv_gradient, "inverse gradient", f_type_dynamic);
+    require_feature_self(f_cvc_inv_gradient, f_cvc_gradient);
+
+    init_feature(f_cvc_debug_gradient, "debug gradient", f_type_user);
+    require_feature_self(f_cvc_debug_gradient, f_cvc_gradient);
+    require_feature_self(f_cvc_debug_gradient, f_cvc_explicit_gradient);
+
+    init_feature(f_cvc_Jacobian, "Jacobian derivative", f_type_dynamic);
+    require_feature_self(f_cvc_Jacobian, f_cvc_inv_gradient);
+
+    init_feature(f_cvc_com_based, "depends on group centers of mass", f_type_static);
+
+    init_feature(f_cvc_pbc_minimum_image, "use minimum-image distances with PBCs", f_type_user);
+
+    // Compute total force on first site only to avoid unwanted
+    // coupling to other colvars (see e.g. Ciccotti et al., 2005)
+    init_feature(f_cvc_one_site_total_force, "compute total force from one group", f_type_user);
+    require_feature_self(f_cvc_one_site_total_force, f_cvc_com_based);
+
+    init_feature(f_cvc_scalable, "scalable calculation", f_type_static);
+    require_feature_self(f_cvc_scalable, f_cvc_scalable_com);
+
+    init_feature(f_cvc_scalable_com, "scalable calculation of centers of mass", f_type_static);
+    require_feature_self(f_cvc_scalable_com, f_cvc_com_based);
+
+
+    // TODO only enable this when f_ag_scalable can be turned on for a pre-initialized group
+    // require_feature_children(f_cvc_scalable, f_ag_scalable);
+    // require_feature_children(f_cvc_scalable_com, f_ag_scalable_com);
+
+    // check that everything is initialized
+    for (i = 0; i < colvardeps::f_cvc_ntot; i++) {
+      if (is_not_set(i)) {
+        cvm::error("Uninitialized feature " + cvm::to_str(i) + " in " + description);
+      }
+    }
+  }
+
+  // Initialize feature_states for each instance
+  // default as available, not enabled
+  // except dynamic features which default as unavailable
+  feature_states.reserve(f_cvc_ntot);
+  for (i = 0; i < colvardeps::f_cvc_ntot; i++) {
+    bool avail = is_dynamic(i) ? false : true;
+    feature_states.push_back(feature_state(avail, false));
+  }
+
+  // Features that are implemented by all cvcs by default
+  // Each cvc specifies what other features are available
+  feature_states[f_cvc_active].available = true;
+  feature_states[f_cvc_gradient].available = true;
+
+  // CVCs are enabled from the start - get disabled based on flags
+  enable(f_cvc_active);
+  // feature_states[f_cvc_active].enabled = true;
+
+  // Explicit gradients are implemented in mosts CVCs. Exceptions must be specified explicitly.
+  // feature_states[f_cvc_explicit_gradient].enabled = true;
+  enable(f_cvc_explicit_gradient);
+
+  // Use minimum-image distances by default
+  // feature_states[f_cvc_pbc_minimum_image].enabled = true;
+  enable(f_cvc_pbc_minimum_image);
+
+  // Features that are implemented by default if their requirements are
+  feature_states[f_cvc_one_site_total_force].available = true;
+
+  // Features That are implemented only for certain simulation engine configurations
+  feature_states[f_cvc_scalable_com].available = (cvm::proxy->scalable_group_coms() == COLVARS_OK);
+  feature_states[f_cvc_scalable].available = feature_states[f_cvc_scalable_com].available;
+
+  return COLVARS_OK;
+}
+
+
 int colvar::cvc::setup()
 {
   description = "cvc " + name;
@@ -192,6 +288,7 @@ colvar::cvc::~cvc()
   }
 }
 
+
 void colvar::cvc::read_data()
 {
   size_t ig;
@@ -214,6 +311,66 @@ void colvar::cvc::read_data()
 }
 
 
+std::vector<std::vector<int> > colvar::cvc::get_atom_lists()
+{
+  std::vector<std::vector<int> > lists;
+
+  std::vector<cvm::atom_group *>::iterator agi = atom_groups.begin();
+  for ( ; agi != atom_groups.end(); ++agi) {
+    (*agi)->create_sorted_ids();
+    lists.push_back((*agi)->sorted_ids());
+    if ((*agi)->is_enabled(f_ag_fitting_group) && (*agi)->is_enabled(f_ag_fit_gradients)) {
+      cvm::atom_group &fg = *((*agi)->fitting_group);
+      fg.create_sorted_ids();
+      lists.push_back(fg.sorted_ids());
+    }
+  }
+  return lists;
+}
+
+
+void colvar::cvc::collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients)
+{
+  // Coefficient: d(a * x^n) = a * n * x^(n-1) * dx
+  cvm::real coeff = sup_coeff * cvm::real(sup_np) *
+    cvm::integer_power(value().real_value, sup_np-1);
+
+  for (size_t j = 0; j < atom_groups.size(); j++) {
+
+    cvm::atom_group &ag = *(atom_groups[j]);
+
+    // If necessary, apply inverse rotation to get atomic
+    // gradient in the laboratory frame
+    if (ag.b_rotate) {
+      cvm::rotation const rot_inv = ag.rot.inverse();
+
+      for (size_t k = 0; k < ag.size(); k++) {
+        size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                    ag[k].id) - atom_ids.begin();
+        atomic_gradients[a] += coeff * rot_inv.rotate(ag[k].grad);
+      }
+
+    } else {
+
+      for (size_t k = 0; k < ag.size(); k++) {
+        size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                    ag[k].id) - atom_ids.begin();
+        atomic_gradients[a] += coeff * ag[k].grad;
+      }
+    }
+    if (ag.is_enabled(f_ag_fitting_group) && ag.is_enabled(f_ag_fit_gradients)) {
+      cvm::atom_group const &fg = *(ag.fitting_group);
+      for (size_t k = 0; k < fg.size(); k++) {
+        size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                    fg[k].id) - atom_ids.begin();
+        // fit gradients are in the unrotated (simulation) frame
+        atomic_gradients[a] += coeff * fg.fit_gradients[k];
+      }
+    }
+  }
+}
+
+
 void colvar::cvc::calc_force_invgrads()
 {
   cvm::error("Error: calculation of inverse gradients is not implemented "
@@ -306,8 +463,8 @@ void colvar::cvc::debug_gradients()
         cvm::log("dx(interp) = "+cvm::to_str(dx_pred,
                               21, 14)+"\n");
         cvm::log("|dx(actual) - dx(interp)|/|dx(actual)| = "+
-                  cvm::to_str(std::fabs(x_1 - x_0 - dx_pred) /
-                              std::fabs(x_1 - x_0), 12, 5)+"\n");
+                  cvm::to_str(cvm::fabs(x_1 - x_0 - dx_pred) /
+                              cvm::fabs(x_1 - x_0), 12, 5)+"\n");
       }
     }
 
@@ -341,8 +498,8 @@ void colvar::cvc::debug_gradients()
           cvm::log("dx(interp) = "+cvm::to_str (dx_pred,
                                 21, 14)+"\n");
           cvm::log ("|dx(actual) - dx(interp)|/|dx(actual)| = "+
-                    cvm::to_str(std::fabs (x_1 - x_0 - dx_pred) /
-                                std::fabs (x_1 - x_0),
+                    cvm::to_str(cvm::fabs (x_1 - x_0 - dx_pred) /
+                                cvm::fabs (x_1 - x_0),
                                 12, 5)+
                     ".\n");
         }
@@ -378,7 +535,7 @@ colvarvalue colvar::cvc::dist2_rgrad(colvarvalue const &x1,
 }
 
 
-void colvar::cvc::wrap(colvarvalue &x) const
+void colvar::cvc::wrap(colvarvalue &x_unwrapped) const
 {
   return;
 }
diff --git a/lib/colvars/colvarcomp.h b/lib/colvars/colvarcomp.h
index 1a6df3771ea297e48bbe0122accfad0edc9369bd..f615680ba6912537ba253359655d1225bb8c19cc 100644
--- a/lib/colvars/colvarcomp.h
+++ b/lib/colvars/colvarcomp.h
@@ -27,12 +27,12 @@
 
 /// \brief Colvar component (base class for collective variables)
 ///
-/// A \link cvc \endlink object (or an object of a
+/// A \link colvar::cvc \endlink object (or an object of a
 /// cvc-derived class) implements the calculation of a collective
 /// variable, its gradients and any other related physical quantities
 /// that depend on microscopic degrees of freedom.
 ///
-/// No restriction is set to what kind of calculation a \link cvc \endlink
+/// No restriction is set to what kind of calculation a \link colvar::cvc \endlink
 /// object performs (usually an analytical function of atomic coordinates).
 /// The only constraints are that: \par
 ///
@@ -42,9 +42,9 @@
 ///   alike, and allows an automatic selection of the applicable algorithms.
 ///
 /// - The object provides an implementation \link apply_force() \endlink to
-///   apply forces to atoms.  Typically, one or more \link cvm::atom_group
+///   apply forces to atoms.  Typically, one or more \link colvarmodule::atom_group
 ///   \endlink objects are used, but this is not a requirement for as long as
-///   the \link cvc \endlink object communicates with the simulation program.
+///   the \link colvar::cvc \endlink object communicates with the simulation program.
 ///
 /// <b> If you wish to implement a new collective variable component, you
 /// should write your own class by inheriting directly from \link
@@ -75,9 +75,9 @@ public:
   /// \brief Description of the type of collective variable
   ///
   /// Normally this string is set by the parent \link colvar \endlink
-  /// object within its constructor, when all \link cvc \endlink
+  /// object within its constructor, when all \link colvar::cvc \endlink
   /// objects are initialized; therefore the main "config string"
-  /// constructor does not need to define it.  If a \link cvc
+  /// constructor does not need to define it.  If a \link colvar::cvc
   /// \endlink is initialized and/or a different constructor is used,
   /// this variable definition should be set within the constructor.
   std::string function_type;
@@ -109,6 +109,9 @@ public:
   /// cvc \endlink
   virtual int init(std::string const &conf);
 
+  /// \brief Initialize dependency tree
+  virtual int init_dependencies();
+
   /// \brief Within the constructor, make a group parse its own
   /// options from the provided configuration string
   /// Returns reference to new group
@@ -122,7 +125,7 @@ public:
   /// \brief After construction, set data related to dependency handling
   int setup();
 
-  /// \brief Default constructor (used when \link cvc \endlink
+  /// \brief Default constructor (used when \link colvar::cvc \endlink
   /// objects are declared within other ones)
   cvc();
 
@@ -133,7 +136,7 @@ public:
   static std::vector<feature *> cvc_features;
 
   /// \brief Implementation of the feature list accessor for colvar
-  virtual const std::vector<feature *> &features()
+  virtual const std::vector<feature *> &features() const
   {
     return cvc_features;
   }
@@ -148,6 +151,9 @@ public:
     cvc_features.clear();
   }
 
+  /// \brief Get vector of vectors of atom IDs for all atom groups
+  virtual std::vector<std::vector<int> > get_atom_lists();
+
   /// \brief Obtain data needed for the calculation for the backend
   virtual void read_data();
 
@@ -164,6 +170,10 @@ public:
   /// \brief Calculate finite-difference gradients alongside the analytical ones, for each Cartesian component
   virtual void debug_gradients();
 
+  /// \brief Calculate atomic gradients and add them to the corresponding item in gradient vector
+  /// May be overridden by CVCs that do not store their gradients in the classic way, see dihedPC
+  virtual void collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients);
+
   /// \brief Calculate the total force from the system using the
   /// inverse atomic gradients
   virtual void calc_force_invgrads();
@@ -237,7 +247,7 @@ public:
                                   colvarvalue const &x2) const;
 
   /// \brief Wrap value (for periodic/symmetric cvcs)
-  virtual void wrap(colvarvalue &x) const;
+  virtual void wrap(colvarvalue &x_unwrapped) const;
 
   /// \brief Pointers to all atom groups, to let colvars collect info
   /// e.g. atomic gradients
@@ -246,7 +256,7 @@ public:
   /// \brief Store a pointer to new atom group, and list as child for dependencies
   inline void register_atom_group(cvm::atom_group *ag) {
     atom_groups.push_back(ag);
-    add_child((colvardeps *) ag);
+    add_child(ag);
   }
 
   /// \brief Whether or not this CVC will be computed in parallel whenever possible
@@ -415,7 +425,7 @@ public:
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
   /// \brief Redefined to make use of the user-provided period
-  virtual void wrap(colvarvalue &x) const;
+  virtual void wrap(colvarvalue &x_unwrapped) const;
 };
 
 
@@ -474,7 +484,7 @@ public:
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
   /// Redefined to handle the 2*PI periodicity
-  virtual void wrap(colvarvalue &x) const;
+  virtual void wrap(colvarvalue &x_unwrapped) const;
 };
 
 
@@ -559,6 +569,35 @@ public:
 
 
 
+/// \brief Colvar component:  dipole magnitude of a molecule
+class colvar::dipole_magnitude
+  : public colvar::cvc
+{
+protected:
+  /// Dipole atom group
+  cvm::atom_group  *atoms;
+  cvm::atom_pos dipoleV;
+public:
+  /// Initialize by parsing the configuration
+  dipole_magnitude (std::string const &conf);
+  dipole_magnitude (cvm::atom const &a1);
+  dipole_magnitude();
+  virtual inline ~dipole_magnitude() {}
+  virtual void calc_value();
+  virtual void calc_gradients();
+  //virtual void calc_force_invgrads();
+  //virtual void calc_Jacobian_derivative();
+  virtual void apply_force (colvarvalue const &force);
+  virtual cvm::real dist2 (colvarvalue const &x1,
+                           colvarvalue const &x2) const;
+  virtual colvarvalue dist2_lgrad (colvarvalue const &x1,
+                                   colvarvalue const &x2) const;
+  virtual colvarvalue dist2_rgrad (colvarvalue const &x1,
+                                   colvarvalue const &x2) const;
+};
+
+
+
 /// \brief Colvar component: Radius of gyration of an atom group
 /// (colvarvalue::type_scalar type, range [0:*))
 class colvar::gyration
@@ -818,7 +857,7 @@ public:
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
   /// Redefined to handle the 2*PI periodicity
-  virtual void wrap(colvarvalue &x) const;
+  virtual void wrap(colvarvalue &x_unwrapped) const;
 };
 
 
@@ -1002,7 +1041,7 @@ public:
          cvm::atom const &donor,
          cvm::real r0, int en, int ed);
   h_bond();
-  virtual ~h_bond();
+  virtual ~h_bond() {}
   virtual void calc_value();
   virtual void calc_gradients();
   virtual void apply_force(colvarvalue const &force);
@@ -1090,6 +1129,8 @@ public:
   virtual ~alpha_angles();
   void calc_value();
   void calc_gradients();
+  /// Re-implementation of cvc::collect_gradients() to carry over atomic gradients of sub-cvcs
+  void collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients);
   void apply_force(colvarvalue const &force);
   virtual cvm::real dist2(colvarvalue const &x1,
                           colvarvalue const &x2) const;
@@ -1120,6 +1161,8 @@ public:
   virtual  ~dihedPC();
   void calc_value();
   void calc_gradients();
+  /// Re-implementation of cvc::collect_gradients() to carry over atomic gradients of sub-cvcs
+  void collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients);
   void apply_force(colvarvalue const &force);
   virtual cvm::real dist2(colvarvalue const &x1,
                           colvarvalue const &x2) const;
@@ -1159,6 +1202,7 @@ public:
 
   orientation(std::string const &conf);
   orientation();
+  virtual int init(std::string const &conf);
   virtual ~orientation() {}
   virtual void calc_value();
   virtual void calc_gradients();
@@ -1183,6 +1227,7 @@ public:
 
   orientation_angle(std::string const &conf);
   orientation_angle();
+  virtual int init(std::string const &conf);
   virtual ~orientation_angle() {}
   virtual void calc_value();
   virtual void calc_gradients();
@@ -1207,6 +1252,7 @@ public:
 
   orientation_proj(std::string const &conf);
   orientation_proj();
+  virtual int init(std::string const &conf);
   virtual ~orientation_proj() {}
   virtual void calc_value();
   virtual void calc_gradients();
@@ -1234,6 +1280,7 @@ public:
 
   tilt(std::string const &conf);
   tilt();
+  virtual int init(std::string const &conf);
   virtual ~tilt() {}
   virtual void calc_value();
   virtual void calc_gradients();
@@ -1261,6 +1308,7 @@ public:
 
   spin_angle(std::string const &conf);
   spin_angle();
+  virtual int init(std::string const &conf);
   virtual ~spin_angle() {}
   virtual void calc_value();
   virtual void calc_gradients();
@@ -1275,7 +1323,7 @@ public:
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
   /// Redefined to handle the 2*PI periodicity
-  virtual void wrap(colvarvalue &x) const;
+  virtual void wrap(colvarvalue &x_unwrapped) const;
 };
 
 
diff --git a/lib/colvars/colvarcomp_angles.cpp b/lib/colvars/colvarcomp_angles.cpp
index 9f879a4c41354155c55130237228e78c00bed056..97fb23b18100b56640d613b4471910f0072c92d8 100644
--- a/lib/colvars/colvarcomp_angles.cpp
+++ b/lib/colvars/colvarcomp_angles.cpp
@@ -11,9 +11,6 @@
 #include "colvar.h"
 #include "colvarcomp.h"
 
-#include <cmath>
-
-
 
 colvar::angle::angle(std::string const &conf)
   : cvc(conf)
@@ -77,14 +74,14 @@ void colvar::angle::calc_value()
 
   cvm::real const cos_theta = (r21*r23)/(r21l*r23l);
 
-  x.real_value = (180.0/PI) * std::acos(cos_theta);
+  x.real_value = (180.0/PI) * cvm::acos(cos_theta);
 }
 
 
 void colvar::angle::calc_gradients()
 {
   cvm::real const cos_theta = (r21*r23)/(r21l*r23l);
-  cvm::real const dxdcos = -1.0 / std::sqrt(1.0 - cos_theta*cos_theta);
+  cvm::real const dxdcos = -1.0 / cvm::sqrt(1.0 - cos_theta*cos_theta);
 
   dxdr1 = (180.0/PI) * dxdcos *
     (1.0/r21l) * ( r23/r23l + (-1.0) * cos_theta * r21/r21l );
@@ -126,7 +123,7 @@ void colvar::angle::calc_Jacobian_derivative()
   // det(J) = (2 pi) r^2 * sin(theta)
   // hence Jd = cot(theta)
   const cvm::real theta = x.real_value * PI / 180.0;
-  jd = PI / 180.0 * (theta != 0.0 ? std::cos(theta) / std::sin(theta) : 0.0);
+  jd = PI / 180.0 * (theta != 0.0 ? cvm::cos(theta) / cvm::sin(theta) : 0.0);
 }
 
 
@@ -202,7 +199,7 @@ void colvar::dipole_angle::calc_value()
 
   cvm::real const cos_theta = (r21*r23)/(r21l*r23l);
 
-  x.real_value = (180.0/PI) * std::acos(cos_theta);
+  x.real_value = (180.0/PI) * cvm::acos(cos_theta);
 }
 
 //to be implemented
@@ -212,7 +209,7 @@ void colvar::dipole_angle::calc_value()
 void colvar::dipole_angle::calc_gradients()
 {
   cvm::real const cos_theta = (r21*r23)/(r21l*r23l);
-  cvm::real const dxdcos = -1.0 / std::sqrt(1.0 - cos_theta*cos_theta);
+  cvm::real const dxdcos = -1.0 / cvm::sqrt(1.0 - cos_theta*cos_theta);
 
   dxdr1 = (180.0/PI) * dxdcos *
   (1.0/r21l)* (r23/r23l + (-1.0) * cos_theta * r21/r21l );
@@ -346,7 +343,7 @@ void colvar::dihedral::calc_value()
   cvm::real const cos_phi = n1 * n2;
   cvm::real const sin_phi = n1 * r34 * r23.norm();
 
-  x.real_value = (180.0/PI) * std::atan2(sin_phi, cos_phi);
+  x.real_value = (180.0/PI) * cvm::atan2(sin_phi, cos_phi);
   this->wrap(x);
 }
 
@@ -368,7 +365,7 @@ void colvar::dihedral::calc_gradients()
   rB = 1.0/rB;
   B *= rB;
 
-  if (std::fabs(sin_phi) > 0.1) {
+  if (cvm::fabs(sin_phi) > 0.1) {
     rA = 1.0/rA;
     A *= rA;
     cvm::rvector const dcosdA = rA*(cos_phi*A-B);
@@ -440,8 +437,8 @@ void colvar::dihedral::calc_force_invgrads()
   cvm::real const dot1 = u23 * u12;
   cvm::real const dot4 = u23 * u34;
 
-  cvm::real const fact1 = d12 * std::sqrt(1.0 - dot1 * dot1);
-  cvm::real const fact4 = d34 * std::sqrt(1.0 - dot4 * dot4);
+  cvm::real const fact1 = d12 * cvm::sqrt(1.0 - dot1 * dot1);
+  cvm::real const fact4 = d34 * cvm::sqrt(1.0 - dot4 * dot4);
 
   group1->read_total_forces();
   if (is_enabled(f_cvc_one_site_total_force)) {
@@ -508,19 +505,17 @@ colvarvalue colvar::dihedral::dist2_rgrad(colvarvalue const &x1,
 }
 
 
-void colvar::dihedral::wrap(colvarvalue &x) const
+void colvar::dihedral::wrap(colvarvalue &x_unwrapped) const
 {
-  if ((x.real_value - wrap_center) >= 180.0) {
-    x.real_value -= 360.0;
+  if ((x_unwrapped.real_value - wrap_center) >= 180.0) {
+    x_unwrapped.real_value -= 360.0;
     return;
   }
 
-  if ((x.real_value - wrap_center) < -180.0) {
-    x.real_value += 360.0;
+  if ((x_unwrapped.real_value - wrap_center) < -180.0) {
+    x_unwrapped.real_value += 360.0;
     return;
   }
-
-  return;
 }
 
 
@@ -548,8 +543,8 @@ void colvar::polar_theta::calc_value()
   cvm::rvector pos = atoms->center_of_mass();
   r = atoms->center_of_mass().norm();
   // Internal values of theta and phi are radians
-  theta = (r > 0.) ? std::acos(pos.z / r) : 0.;
-  phi = std::atan2(pos.y, pos.x);
+  theta = (r > 0.) ? cvm::acos(pos.z / r) : 0.;
+  phi = cvm::atan2(pos.y, pos.x);
   x.real_value = (180.0/PI) * theta;
 }
 
@@ -560,9 +555,9 @@ void colvar::polar_theta::calc_gradients()
     atoms->set_weighted_gradient(cvm::rvector(0., 0., 0.));
   else
     atoms->set_weighted_gradient(cvm::rvector(
-      (180.0/PI) *  std::cos(theta) * std::cos(phi) / r,
-      (180.0/PI) *  std::cos(theta) * std::sin(phi) / r,
-      (180.0/PI) * -std::sin(theta) / r));
+      (180.0/PI) *  cvm::cos(theta) * cvm::cos(phi) / r,
+      (180.0/PI) *  cvm::cos(theta) * cvm::sin(phi) / r,
+      (180.0/PI) * -cvm::sin(theta) / r));
 }
 
 
@@ -602,8 +597,8 @@ void colvar::polar_phi::calc_value()
   cvm::rvector pos = atoms->center_of_mass();
   r = atoms->center_of_mass().norm();
   // Internal values of theta and phi are radians
-  theta = (r > 0.) ? std::acos(pos.z / r) : 0.;
-  phi = std::atan2(pos.y, pos.x);
+  theta = (r > 0.) ? cvm::acos(pos.z / r) : 0.;
+  phi = cvm::atan2(pos.y, pos.x);
   x.real_value = (180.0/PI) * phi;
 }
 
@@ -611,8 +606,8 @@ void colvar::polar_phi::calc_value()
 void colvar::polar_phi::calc_gradients()
 {
   atoms->set_weighted_gradient(cvm::rvector(
-    (180.0/PI) * -std::sin(phi) / (r*std::sin(theta)),
-    (180.0/PI) *  std::cos(phi) / (r*std::sin(theta)),
+    (180.0/PI) * -cvm::sin(phi) / (r*cvm::sin(theta)),
+    (180.0/PI) *  cvm::cos(phi) / (r*cvm::sin(theta)),
     0.));
 }
 
@@ -653,15 +648,15 @@ colvarvalue colvar::polar_phi::dist2_rgrad(colvarvalue const &x1,
 }
 
 
-void colvar::polar_phi::wrap(colvarvalue &x) const
+void colvar::polar_phi::wrap(colvarvalue &x_unwrapped) const
 {
-  if ((x.real_value - wrap_center) >= 180.0) {
-    x.real_value -= 360.0;
+  if ((x_unwrapped.real_value - wrap_center) >= 180.0) {
+    x_unwrapped.real_value -= 360.0;
     return;
   }
 
-  if ((x.real_value - wrap_center) < -180.0) {
-    x.real_value += 360.0;
+  if ((x_unwrapped.real_value - wrap_center) < -180.0) {
+    x_unwrapped.real_value += 360.0;
     return;
   }
 
diff --git a/lib/colvars/colvarcomp_coordnums.cpp b/lib/colvars/colvarcomp_coordnums.cpp
index ec53391ef55440053c50c106cf03d40e41ee7301..059b0c825b993d629e360a2a69c643b9d07d6062 100644
--- a/lib/colvars/colvarcomp_coordnums.cpp
+++ b/lib/colvars/colvarcomp_coordnums.cpp
@@ -7,8 +7,6 @@
 // If you wish to distribute your changes, please submit them to the
 // Colvars repository at GitHub.
 
-#include <cmath>
-
 #include "colvarmodule.h"
 #include "colvarparse.h"
 #include "colvaratoms.h"
@@ -102,6 +100,12 @@ colvar::coordnum::coordnum(std::string const &conf)
   group1 = parse_group(conf, "group1");
   group2 = parse_group(conf, "group2");
 
+  if (group1 == NULL || group2 == NULL) {
+    cvm::error("Error: failed to initialize atom groups.\n",
+                INPUT_ERROR);
+    return;
+  }
+
   if (int atom_number = cvm::atom_group::overlap(*group1, *group2)) {
     cvm::error("Error: group1 and group2 share a common atom (number: " +
                cvm::to_str(atom_number) + ")\n", INPUT_ERROR);
@@ -408,12 +412,6 @@ colvar::h_bond::h_bond()
 }
 
 
-colvar::h_bond::~h_bond()
-{
-  delete atom_groups[0];
-}
-
-
 void colvar::h_bond::calc_value()
 {
   int const flags = coordnum::ef_null;
@@ -655,8 +653,6 @@ colvar::groupcoordnum::groupcoordnum()
 
 void colvar::groupcoordnum::calc_value()
 {
-  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
-
   // create fake atoms to hold the com coordinates
   cvm::atom group1_com_atom;
   cvm::atom group2_com_atom;
@@ -680,8 +676,6 @@ void colvar::groupcoordnum::calc_value()
 
 void colvar::groupcoordnum::calc_gradients()
 {
-  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
-
   cvm::atom group1_com_atom;
   cvm::atom group2_com_atom;
   group1_com_atom.pos = group1->center_of_mass();
diff --git a/lib/colvars/colvarcomp_distances.cpp b/lib/colvars/colvarcomp_distances.cpp
index a2b1a5cd2356aa533d3f2883079fa971673650d6..d9cd9d55e40c48e7bbdfbe997f9de44ea00a3559 100644
--- a/lib/colvars/colvarcomp_distances.cpp
+++ b/lib/colvars/colvarcomp_distances.cpp
@@ -7,8 +7,6 @@
 // If you wish to distribute your changes, please submit them to the
 // Colvars repository at GitHub.
 
-#include <cmath>
-
 #include "colvarmodule.h"
 #include "colvarvalue.h"
 #include "colvarparse.h"
@@ -102,7 +100,7 @@ colvar::distance_vec::distance_vec(std::string const &conf)
 {
   function_type = "distance_vec";
   enable(f_cvc_com_based);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_3vector);
 }
 
@@ -112,7 +110,7 @@ colvar::distance_vec::distance_vec()
 {
   function_type = "distance_vec";
   enable(f_cvc_com_based);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_3vector);
 }
 
@@ -320,7 +318,7 @@ cvm::real colvar::distance_z::dist2(colvarvalue const &x1,
 {
   cvm::real diff = x1.real_value - x2.real_value;
   if (b_periodic) {
-    cvm::real shift = std::floor(diff/period + 0.5);
+    cvm::real shift = cvm::floor(diff/period + 0.5);
     diff -= shift * period;
   }
   return diff * diff;
@@ -332,7 +330,7 @@ colvarvalue colvar::distance_z::dist2_lgrad(colvarvalue const &x1,
 {
   cvm::real diff = x1.real_value - x2.real_value;
   if (b_periodic) {
-    cvm::real shift = std::floor(diff/period + 0.5);
+    cvm::real shift = cvm::floor(diff/period + 0.5);
     diff -= shift * period;
   }
   return 2.0 * diff;
@@ -344,22 +342,23 @@ colvarvalue colvar::distance_z::dist2_rgrad(colvarvalue const &x1,
 {
   cvm::real diff = x1.real_value - x2.real_value;
   if (b_periodic) {
-    cvm::real shift = std::floor(diff/period + 0.5);
+    cvm::real shift = cvm::floor(diff/period + 0.5);
     diff -= shift * period;
   }
   return (-2.0) * diff;
 }
 
 
-void colvar::distance_z::wrap(colvarvalue &x) const
+void colvar::distance_z::wrap(colvarvalue &x_unwrapped) const
 {
   if (!b_periodic) {
     // don't wrap if the period has not been set
     return;
   }
 
-  cvm::real shift = std::floor((x.real_value - wrap_center) / period + 0.5);
-  x.real_value -= shift * period;
+  cvm::real shift =
+    cvm::floor((x_unwrapped.real_value - wrap_center) / period + 0.5);
+  x_unwrapped.real_value -= shift * period;
   return;
 }
 
@@ -481,7 +480,7 @@ colvar::distance_dir::distance_dir(std::string const &conf)
 {
   function_type = "distance_dir";
   enable(f_cvc_com_based);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_unit3vector);
 }
 
@@ -491,7 +490,7 @@ colvar::distance_dir::distance_dir()
 {
   function_type = "distance_dir";
   enable(f_cvc_com_based);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_unit3vector);
 }
 
@@ -629,7 +628,7 @@ void colvar::distance_inv::calc_value()
   }
 
   x.real_value *= 1.0 / cvm::real(group1->size() * group2->size());
-  x.real_value = std::pow(x.real_value, -1.0/cvm::real(exponent));
+  x.real_value = cvm::pow(x.real_value, -1.0/cvm::real(exponent));
 
   cvm::real const dxdsum = (-1.0/(cvm::real(exponent))) *
     cvm::integer_power(x.real_value, exponent+1) /
@@ -671,7 +670,7 @@ colvar::distance_pairs::distance_pairs(std::string const &conf)
   group2 = parse_group(conf, "group2");
 
   x.type(colvarvalue::type_vector);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.vector1d_value.resize(group1->size() * group2->size());
 }
 
@@ -679,7 +678,7 @@ colvar::distance_pairs::distance_pairs(std::string const &conf)
 colvar::distance_pairs::distance_pairs()
 {
   function_type = "distance_pairs";
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_vector);
 }
 
@@ -747,6 +746,63 @@ void colvar::distance_pairs::apply_force(colvarvalue const &force)
 
 
 
+colvar::dipole_magnitude::dipole_magnitude(std::string const &conf)
+  : cvc(conf)
+{
+  function_type = "dipole_magnitude";
+  atoms = parse_group(conf, "atoms");
+  init_total_force_params(conf);
+  x.type(colvarvalue::type_scalar);
+}
+
+
+colvar::dipole_magnitude::dipole_magnitude(cvm::atom const &a1)
+{
+  atoms = new cvm::atom_group(std::vector<cvm::atom>(1, a1));
+  register_atom_group(atoms);
+  x.type(colvarvalue::type_scalar);
+}
+
+
+colvar::dipole_magnitude::dipole_magnitude()
+{
+  function_type = "dipole_magnitude";
+  x.type(colvarvalue::type_scalar);
+}
+
+
+void colvar::dipole_magnitude::calc_value()
+{
+  cvm::atom_pos const atomsCom = atoms->center_of_mass();
+  atoms->calc_dipole(atomsCom);
+  dipoleV = atoms->dipole();
+  x.real_value = dipoleV.norm();
+}
+
+
+void colvar::dipole_magnitude::calc_gradients()
+{
+  cvm::real const aux1 = atoms->total_charge/atoms->total_mass;
+  cvm::atom_pos const dipVunit = dipoleV.unit();
+
+  for (cvm::atom_iter ai = atoms->begin(); ai != atoms->end(); ai++) {
+    ai->grad = (ai->charge - aux1*ai->mass) * dipVunit;
+  }
+}
+
+
+void colvar::dipole_magnitude::apply_force(colvarvalue const &force)
+{
+  if (!atoms->noforce) {
+    atoms->apply_colvar_force(force.real_value);
+  }
+}
+
+
+simple_scalar_dist_functions(dipole_magnitude)
+
+
+
 colvar::gyration::gyration(std::string const &conf)
   : cvc(conf)
 {
@@ -782,7 +838,7 @@ void colvar::gyration::calc_value()
   for (cvm::atom_iter ai = atoms->begin(); ai != atoms->end(); ai++) {
     x.real_value += (ai->pos).norm2();
   }
-  x.real_value = std::sqrt(x.real_value / cvm::real(atoms->size()));
+  x.real_value = cvm::sqrt(x.real_value / cvm::real(atoms->size()));
 }
 
 
@@ -1029,7 +1085,7 @@ void colvar::rmsd::calc_value()
     x.real_value += ((*atoms)[ia].pos - ref_pos[ia]).norm2();
   }
   x.real_value /= cvm::real(atoms->size()); // MSD
-  x.real_value = std::sqrt(x.real_value);
+  x.real_value = cvm::sqrt(x.real_value);
 }
 
 
@@ -1405,7 +1461,7 @@ void colvar::eigenvector::calc_Jacobian_derivative()
     }
   }
 
-  jd.real_value = sum * std::sqrt(eigenvec_invnorm2);
+  jd.real_value = sum * cvm::sqrt(eigenvec_invnorm2);
 }
 
 
@@ -1436,7 +1492,7 @@ colvar::cartesian::cartesian(std::string const &conf)
   }
 
   x.type(colvarvalue::type_vector);
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.vector1d_value.resize(atoms->size() * axes.size());
 }
 
diff --git a/lib/colvars/colvarcomp_protein.cpp b/lib/colvars/colvarcomp_protein.cpp
index 91e47f13d90f22885d318eff8f9dc43a8b7fc21f..b9f9c60cdb8e71b1f51d0fc536d6fd9be49a0083 100644
--- a/lib/colvars/colvarcomp_protein.cpp
+++ b/lib/colvars/colvarcomp_protein.cpp
@@ -7,8 +7,6 @@
 // If you wish to distribute your changes, please submit them to the
 // Colvars repository at GitHub.
 
-#include <cmath>
-
 #include "colvarmodule.h"
 #include "colvarvalue.h"
 #include "colvarparse.h"
@@ -27,7 +25,7 @@ colvar::alpha_angles::alpha_angles(std::string const &conf)
     cvm::log("Initializing alpha_angles object.\n");
 
   function_type = "alpha_angles";
-  enable(f_cvc_implicit_gradient);
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 
   std::string segment_id;
@@ -118,7 +116,7 @@ colvar::alpha_angles::alpha_angles()
   : cvc()
 {
   function_type = "alpha_angles";
-  enable(f_cvc_implicit_gradient);
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -133,6 +131,8 @@ colvar::alpha_angles::~alpha_angles()
     delete hb.back();
     hb.pop_back();
   }
+  // Our references to atom groups have become invalid now that children cvcs are deleted
+  atom_groups.clear();
 }
 
 
@@ -191,6 +191,58 @@ void colvar::alpha_angles::calc_gradients()
 }
 
 
+void colvar::alpha_angles::collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients)
+{
+  cvm::real cvc_coeff = sup_coeff * cvm::real(sup_np) * cvm::integer_power(value().real_value, sup_np-1);
+
+  if (theta.size()) {
+    cvm::real const theta_norm = (1.0-hb_coeff) / cvm::real(theta.size());
+
+    for (size_t i = 0; i < theta.size(); i++) {
+      cvm::real const t = ((theta[i])->value().real_value-theta_ref)/theta_tol;
+      cvm::real const f = ( (1.0 - (t*t)) /
+                            (1.0 - (t*t*t*t)) );
+      cvm::real const dfdt =
+        1.0/(1.0 - (t*t*t*t)) *
+        ( (-2.0 * t) + (-1.0*f)*(-4.0 * (t*t*t)) );
+
+      // Coeficient of this CVC's gradient in the colvar gradient, times coefficient of this
+      // angle's gradient in the CVC's gradient
+      cvm::real const coeff = cvc_coeff * theta_norm * dfdt * (1.0/theta_tol);
+
+      for (size_t j = 0; j < theta[i]->atom_groups.size(); j++) {
+        cvm::atom_group &ag = *(theta[i]->atom_groups[j]);
+        for (size_t k = 0; k < ag.size(); k++) {
+          size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                      ag[k].id) - atom_ids.begin();
+          atomic_gradients[a] += coeff * ag[k].grad;
+        }
+      }
+    }
+  }
+
+  if (hb.size()) {
+
+    cvm::real const hb_norm = hb_coeff / cvm::real(hb.size());
+
+    for (size_t i = 0; i < hb.size(); i++) {
+      // Coeficient of this CVC's gradient in the colvar gradient, times coefficient of this
+      // hbond's gradient in the CVC's gradient
+      cvm::real const coeff = cvc_coeff * 0.5 * hb_norm;
+
+      for (size_t j = 0; j < hb[i]->atom_groups.size(); j++) {
+        cvm::atom_group &ag = *(hb[i]->atom_groups[j]);
+        for (size_t k = 0; k < ag.size(); k++) {
+          size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                      ag[k].id) - atom_ids.begin();
+          atomic_gradients[a] += coeff * ag[k].grad;
+        }
+      }
+    }
+  }
+}
+
+
 void colvar::alpha_angles::apply_force(colvarvalue const &force)
 {
 
@@ -242,7 +294,8 @@ colvar::dihedPC::dihedPC(std::string const &conf)
     cvm::log("Initializing dihedral PC object.\n");
 
   function_type = "dihedPC";
-  enable(f_cvc_implicit_gradient);
+  // Supported through references to atom groups of children cvcs
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 
   std::string segment_id;
@@ -372,7 +425,8 @@ colvar::dihedPC::dihedPC()
   : cvc()
 {
   function_type = "dihedPC";
-  enable(f_cvc_implicit_gradient);
+  // Supported through references to atom groups of children cvcs
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -383,6 +437,8 @@ colvar::dihedPC::~dihedPC()
     delete theta.back();
     theta.pop_back();
   }
+  // Our references to atom groups have become invalid now that children cvcs are deleted
+  atom_groups.clear();
 }
 
 
@@ -392,8 +448,8 @@ void colvar::dihedPC::calc_value()
   for (size_t i = 0; i < theta.size(); i++) {
     theta[i]->calc_value();
     cvm::real const t = (PI / 180.) * theta[i]->value().real_value;
-    x.real_value += coeffs[2*i  ] * std::cos(t)
-                  + coeffs[2*i+1] * std::sin(t);
+    x.real_value += coeffs[2*i  ] * cvm::cos(t)
+                  + coeffs[2*i+1] * cvm::sin(t);
   }
 }
 
@@ -406,12 +462,35 @@ void colvar::dihedPC::calc_gradients()
 }
 
 
+void colvar::dihedPC::collect_gradients(std::vector<int> const &atom_ids, std::vector<cvm::rvector> &atomic_gradients)
+{
+  cvm::real cvc_coeff = sup_coeff * cvm::real(sup_np) * cvm::integer_power(value().real_value, sup_np-1);
+  for (size_t i = 0; i < theta.size(); i++) {
+    cvm::real const t = (PI / 180.) * theta[i]->value().real_value;
+    cvm::real const dcosdt = - (PI / 180.) * cvm::sin(t);
+    cvm::real const dsindt =   (PI / 180.) * cvm::cos(t);
+    // Coeficient of this dihedPC's gradient in the colvar gradient, times coefficient of this
+    // dihedral's gradient in the dihedPC's gradient
+    cvm::real const coeff = cvc_coeff * (coeffs[2*i] * dcosdt + coeffs[2*i+1] * dsindt);
+
+    for (size_t j = 0; j < theta[i]->atom_groups.size(); j++) {
+      cvm::atom_group &ag = *(theta[i]->atom_groups[j]);
+      for (size_t k = 0; k < ag.size(); k++) {
+        size_t a = std::lower_bound(atom_ids.begin(), atom_ids.end(),
+                                    ag[k].id) - atom_ids.begin();
+        atomic_gradients[a] += coeff * ag[k].grad;
+      }
+    }
+  }
+}
+
+
 void colvar::dihedPC::apply_force(colvarvalue const &force)
 {
   for (size_t i = 0; i < theta.size(); i++) {
     cvm::real const t = (PI / 180.) * theta[i]->value().real_value;
-    cvm::real const dcosdt = - (PI / 180.) * std::sin(t);
-    cvm::real const dsindt =   (PI / 180.) * std::cos(t);
+    cvm::real const dcosdt = - (PI / 180.) * cvm::sin(t);
+    cvm::real const dsindt =   (PI / 180.) * cvm::cos(t);
 
     theta[i]->apply_force((coeffs[2*i  ] * dcosdt +
                            coeffs[2*i+1] * dsindt) * force);
diff --git a/lib/colvars/colvarcomp_rotations.cpp b/lib/colvars/colvarcomp_rotations.cpp
index 498ef7c2f548f0cc6593725c52fb24d341c72822..3c8d0b4af6341c56be314631ca43fa8223417400 100644
--- a/lib/colvars/colvarcomp_rotations.cpp
+++ b/lib/colvars/colvarcomp_rotations.cpp
@@ -7,8 +7,6 @@
 // If you wish to distribute your changes, please submit them to the
 // Colvars repository at GitHub.
 
-#include <cmath>
-
 #include "colvarmodule.h"
 #include "colvarvalue.h"
 #include "colvarparse.h"
@@ -18,21 +16,27 @@
 
 
 colvar::orientation::orientation(std::string const &conf)
-  : cvc(conf)
+  : cvc()
 {
   function_type = "orientation";
-  atoms = parse_group(conf, "atoms");
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_quaternion);
+  init(conf);
+}
+
 
+int colvar::orientation::init(std::string const &conf)
+{
+  int error_code = cvc::init(conf);
+
+  atoms = parse_group(conf, "atoms");
   ref_pos.reserve(atoms->size());
 
   if (get_keyval(conf, "refPositions", ref_pos, ref_pos)) {
     cvm::log("Using reference positions from input file.\n");
     if (ref_pos.size() != atoms->size()) {
-      cvm::error("Error: reference positions do not "
-                        "match the number of requested atoms.\n");
-      return;
+      return cvm::error("Error: reference positions do not "
+                        "match the number of requested atoms.\n", INPUT_ERROR);
     }
   }
 
@@ -46,9 +50,8 @@ colvar::orientation::orientation(std::string const &conf)
         // use PDB flags if column is provided
         bool found = get_keyval(conf, "refPositionsColValue", file_col_value, 0.0);
         if (found && file_col_value==0.0) {
-          cvm::error("Error: refPositionsColValue, "
-                            "if provided, must be non-zero.\n");
-          return;
+          return cvm::error("Error: refPositionsColValue, "
+                            "if provided, must be non-zero.\n", INPUT_ERROR);
         }
       }
 
@@ -59,9 +62,8 @@ colvar::orientation::orientation(std::string const &conf)
   }
 
   if (!ref_pos.size()) {
-    cvm::error("Error: must define a set of "
-                      "reference coordinates.\n");
-    return;
+    return cvm::error("Error: must define a set of "
+                      "reference coordinates.\n", INPUT_ERROR);
   }
 
 
@@ -85,6 +87,7 @@ colvar::orientation::orientation(std::string const &conf)
     rot.request_group2_gradients(atoms->size());
   }
 
+  return error_code;
 }
 
 
@@ -92,7 +95,7 @@ colvar::orientation::orientation()
   : cvc()
 {
   function_type = "orientation";
-  enable(f_cvc_implicit_gradient);
+  disable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_quaternion);
 }
 
@@ -158,10 +161,18 @@ colvarvalue colvar::orientation::dist2_rgrad(colvarvalue const &x1,
 
 
 colvar::orientation_angle::orientation_angle(std::string const &conf)
-  : orientation(conf)
+  : orientation()
 {
   function_type = "orientation_angle";
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
+  init(conf);
+}
+
+
+int colvar::orientation_angle::init(std::string const &conf)
+{
+  return orientation::init(conf);
 }
 
 
@@ -169,6 +180,7 @@ colvar::orientation_angle::orientation_angle()
   : orientation()
 {
   function_type = "orientation_angle";
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -180,9 +192,9 @@ void colvar::orientation_angle::calc_value()
   rot.calc_optimal_rotation(ref_pos, atoms->positions_shifted(-1.0 * atoms_cog));
 
   if ((rot.q).q0 >= 0.0) {
-    x.real_value = (180.0/PI) * 2.0 * std::acos((rot.q).q0);
+    x.real_value = (180.0/PI) * 2.0 * cvm::acos((rot.q).q0);
   } else {
-    x.real_value = (180.0/PI) * 2.0 * std::acos(-1.0 * (rot.q).q0);
+    x.real_value = (180.0/PI) * 2.0 * cvm::acos(-1.0 * (rot.q).q0);
   }
 }
 
@@ -191,7 +203,7 @@ void colvar::orientation_angle::calc_gradients()
 {
   cvm::real const dxdq0 =
     ( ((rot.q).q0 * (rot.q).q0 < 1.0) ?
-      ((180.0 / PI) * (-2.0) / std::sqrt(1.0 - ((rot.q).q0 * (rot.q).q0))) :
+      ((180.0 / PI) * (-2.0) / cvm::sqrt(1.0 - ((rot.q).q0 * (rot.q).q0))) :
       0.0 );
 
   for (size_t ia = 0; ia < atoms->size(); ia++) {
@@ -214,10 +226,18 @@ simple_scalar_dist_functions(orientation_angle)
 
 
 colvar::orientation_proj::orientation_proj(std::string const &conf)
-  : orientation(conf)
+  : orientation()
 {
   function_type = "orientation_proj";
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
+  init(conf);
+}
+
+
+int colvar::orientation_proj::init(std::string const &conf)
+{
+  return orientation::init(conf);
 }
 
 
@@ -225,6 +245,7 @@ colvar::orientation_proj::orientation_proj()
   : orientation()
 {
   function_type = "orientation_proj";
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -261,18 +282,28 @@ simple_scalar_dist_functions(orientation_proj)
 
 
 colvar::tilt::tilt(std::string const &conf)
-  : orientation(conf)
+  : orientation()
 {
   function_type = "tilt";
+  enable(f_cvc_explicit_gradient);
+  x.type(colvarvalue::type_scalar);
+  init(conf);
+}
 
-  get_keyval(conf, "axis", axis, cvm::rvector(0.0, 0.0, 1.0));
 
+int colvar::tilt::init(std::string const &conf)
+{
+  int error_code = COLVARS_OK;
+
+  error_code |= orientation::init(conf);
+
+  get_keyval(conf, "axis", axis, cvm::rvector(0.0, 0.0, 1.0));
   if (axis.norm2() != 1.0) {
     axis /= axis.norm();
     cvm::log("Normalizing rotation axis to "+cvm::to_str(axis)+".\n");
   }
 
-  x.type(colvarvalue::type_scalar);
+  return error_code;
 }
 
 
@@ -280,6 +311,7 @@ colvar::tilt::tilt()
   : orientation()
 {
   function_type = "tilt";
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -322,20 +354,30 @@ simple_scalar_dist_functions(tilt)
 
 
 colvar::spin_angle::spin_angle(std::string const &conf)
-  : orientation(conf)
+  : orientation()
 {
   function_type = "spin_angle";
+  period = 360.0;
+  b_periodic = true;
+  enable(f_cvc_explicit_gradient);
+  x.type(colvarvalue::type_scalar);
+  init(conf);
+}
 
-  get_keyval(conf, "axis", axis, cvm::rvector(0.0, 0.0, 1.0));
 
+int colvar::spin_angle::init(std::string const &conf)
+{
+  int error_code = COLVARS_OK;
+
+  error_code |= orientation::init(conf);
+
+  get_keyval(conf, "axis", axis, cvm::rvector(0.0, 0.0, 1.0));
   if (axis.norm2() != 1.0) {
     axis /= axis.norm();
     cvm::log("Normalizing rotation axis to "+cvm::to_str(axis)+".\n");
   }
 
-  period = 360.0;
-  b_periodic = true;
-  x.type(colvarvalue::type_scalar);
+  return error_code;
 }
 
 
@@ -345,6 +387,7 @@ colvar::spin_angle::spin_angle()
   function_type = "spin_angle";
   period = 360.0;
   b_periodic = true;
+  enable(f_cvc_explicit_gradient);
   x.type(colvarvalue::type_scalar);
 }
 
@@ -410,15 +453,15 @@ colvarvalue colvar::spin_angle::dist2_rgrad(colvarvalue const &x1,
 }
 
 
-void colvar::spin_angle::wrap(colvarvalue &x) const
+void colvar::spin_angle::wrap(colvarvalue &x_unwrapped) const
 {
-  if ((x.real_value - wrap_center) >= 180.0) {
-    x.real_value -= 360.0;
+  if ((x_unwrapped.real_value - wrap_center) >= 180.0) {
+    x_unwrapped.real_value -= 360.0;
     return;
   }
 
-  if ((x.real_value - wrap_center) < -180.0) {
-    x.real_value += 360.0;
+  if ((x_unwrapped.real_value - wrap_center) < -180.0) {
+    x_unwrapped.real_value += 360.0;
     return;
   }
 
diff --git a/lib/colvars/colvardeps.cpp b/lib/colvars/colvardeps.cpp
index d20ee6e55c82f7c18ec60db3fd4babe8002bd724..276f2b39e7a3228813f9a07d7cfe1481c2e74d18 100644
--- a/lib/colvars/colvardeps.cpp
+++ b/lib/colvars/colvardeps.cpp
@@ -122,12 +122,7 @@ bool colvardeps::get_keyval_feature(colvarparse *cvp,
 
 int colvardeps::enable(int feature_id,
                        bool dry_run /* default: false */,
-                       // dry_run: fail silently, do not enable if available
-                       // flag is passed recursively to deps of this feature
                        bool toplevel /* default: true */)
-// toplevel: false if this is called as part of a chain of dependency resolution
-// this is used to diagnose failed dependencies by displaying the full stack
-// only the toplevel dependency will throw a fatal error
 {
   int res;
   size_t i, j;
@@ -143,8 +138,7 @@ int colvardeps::enable(int feature_id,
 
   if (fs->enabled) {
     if (!(dry_run || toplevel)) {
-      // This is a dependency
-      // Prevent disabling this feature as long
+      // This is a dependency: prevent disabling this feature as long
       // as requirement is enabled
       fs->ref_count++;
       if (cvm::debug())
@@ -173,7 +167,10 @@ int colvardeps::enable(int feature_id,
   if (!toplevel && !is_dynamic(feature_id)) {
     if (!dry_run) {
       cvm::log(feature_type_descr + " feature \"" + f->description
-        + "\" may not be enabled as a dependency in " + description + ".\n");
+        + "\" cannot be enabled automatically in " + description + ".");
+      if (is_user(feature_id)) {
+        cvm::log("Try setting it manually.\n");
+      }
     }
     return COLVARS_ERROR;
   }
@@ -354,6 +351,7 @@ int colvardeps::disable(int feature_id) {
   return COLVARS_OK;
 }
 
+
 int colvardeps::decr_ref_count(int feature_id) {
   int &rc = feature_states[feature_id].ref_count;
   feature *f = features()[feature_id];
@@ -379,324 +377,52 @@ int colvardeps::decr_ref_count(int feature_id) {
   return COLVARS_OK;
 }
 
-void colvardeps::init_feature(int feature_id, const char *description, feature_type type) {
-  modify_features()[feature_id]->description = description;
+
+void colvardeps::init_feature(int feature_id, const char *description_in, feature_type type) {
+  modify_features()[feature_id]->description = description_in;
   modify_features()[feature_id]->type = type;
 }
 
-// Shorthand macros for describing dependencies
-#define f_req_self(f, g) features()[f]->requires_self.push_back(g)
-// This macro ensures that exclusions are symmetric
-#define f_req_exclude(f, g) features()[f]->requires_exclude.push_back(g); \
-                            features()[g]->requires_exclude.push_back(f)
-#define f_req_children(f, g) features()[f]->requires_children.push_back(g)
-#define f_req_alt2(f, g, h) features()[f]->requires_alt.push_back(std::vector<int>(2));\
-  features()[f]->requires_alt.back()[0] = g;                                           \
-  features()[f]->requires_alt.back()[1] = h
-#define f_req_alt3(f, g, h, i) features()[f]->requires_alt.push_back(std::vector<int>(3));\
-  features()[f]->requires_alt.back()[0] = g;                                           \
-  features()[f]->requires_alt.back()[1] = h;                                           \
-  features()[f]->requires_alt.back()[2] = i
-#define f_req_alt4(f, g, h, i, j) features()[f]->requires_alt.push_back(std::vector<int>(4));\
-  features()[f]->requires_alt.back()[0] = g;                                           \
-  features()[f]->requires_alt.back()[1] = h;                                           \
-  features()[f]->requires_alt.back()[2] = i;                                           \
-  features()[f]->requires_alt.back()[3] = j
-
-void colvardeps::init_cvb_requires() {
-  int i;
-  if (features().size() == 0) {
-    for (i = 0; i < f_cvb_ntot; i++) {
-      modify_features().push_back(new feature);
-    }
-
-    init_feature(f_cvb_active, "active", f_type_dynamic);
-    f_req_children(f_cvb_active, f_cv_active);
-
-    init_feature(f_cvb_awake, "awake", f_type_static);
-    f_req_self(f_cvb_awake, f_cvb_active);
-
-    init_feature(f_cvb_apply_force, "apply force", f_type_user);
-    f_req_children(f_cvb_apply_force, f_cv_gradient);
-
-    init_feature(f_cvb_get_total_force, "obtain total force", f_type_dynamic);
-    f_req_children(f_cvb_get_total_force, f_cv_total_force);
-
-    init_feature(f_cvb_output_acc_work, "output accumulated work", f_type_user);
-    f_req_self(f_cvb_output_acc_work, f_cvb_apply_force);
-
-    init_feature(f_cvb_history_dependent, "history-dependent", f_type_static);
 
-    init_feature(f_cvb_time_dependent, "time-dependent", f_type_static);
-
-    init_feature(f_cvb_scalar_variables, "require scalar variables", f_type_static);
-    f_req_children(f_cvb_scalar_variables, f_cv_scalar);
-
-    init_feature(f_cvb_calc_pmf, "calculate a PMF", f_type_static);
-
-    init_feature(f_cvb_calc_ti_samples, "calculate TI samples", f_type_dynamic);
-    f_req_self(f_cvb_calc_ti_samples, f_cvb_get_total_force);
-    f_req_children(f_cvb_calc_ti_samples, f_cv_grid);
-
-    init_feature(f_cvb_write_ti_samples, "write TI samples ", f_type_user);
-    f_req_self(f_cvb_write_ti_samples, f_cvb_calc_ti_samples);
-
-    init_feature(f_cvb_write_ti_pmf, "write TI PMF", f_type_user);
-    f_req_self(f_cvb_write_ti_pmf, f_cvb_calc_ti_samples);
-  }
-
-  // Initialize feature_states for each instance
-  feature_states.reserve(f_cvb_ntot);
-  for (i = 0; i < f_cvb_ntot; i++) {
-    feature_states.push_back(feature_state(true, false));
-    // Most features are available, so we set them so
-    // and list exceptions below
-  }
-
-  // only compute TI samples when deriving from colvarbias_ti
-  feature_states[f_cvb_calc_ti_samples].available = false;
+// Shorthand functions for describing dependencies
+void colvardeps::require_feature_self(int f, int g) {
+  features()[f]->requires_self.push_back(g);
 }
 
 
-void colvardeps::init_cv_requires() {
-  size_t i;
-  if (features().size() == 0) {
-    for (i = 0; i < f_cv_ntot; i++) {
-      modify_features().push_back(new feature);
-    }
-
-    init_feature(f_cv_active, "active", f_type_dynamic);
-    // Do not require f_cvc_active in children, as some components may be disabled
-    // Colvars must be either a linear combination, or scalar (and polynomial) or scripted/custom
-    f_req_alt4(f_cv_active, f_cv_scalar, f_cv_linear, f_cv_scripted, f_cv_custom_function);
-
-    init_feature(f_cv_awake, "awake", f_type_static);
-    f_req_self(f_cv_awake, f_cv_active);
-
-    init_feature(f_cv_gradient, "gradient", f_type_dynamic);
-    f_req_children(f_cv_gradient, f_cvc_gradient);
-
-    init_feature(f_cv_collect_gradient, "collect gradient", f_type_dynamic);
-    f_req_self(f_cv_collect_gradient, f_cv_gradient);
-    f_req_self(f_cv_collect_gradient, f_cv_scalar);
-    // The following exlusion could be lifted by implementing the feature
-    f_req_exclude(f_cv_collect_gradient, f_cv_scripted);
-
-    init_feature(f_cv_fdiff_velocity, "velocity from finite differences", f_type_dynamic);
-
-    // System force: either trivial (spring force); through extended Lagrangian, or calculated explicitly
-    init_feature(f_cv_total_force, "total force", f_type_dynamic);
-    f_req_alt2(f_cv_total_force, f_cv_extended_Lagrangian, f_cv_total_force_calc);
-
-    // Deps for explicit total force calculation
-    init_feature(f_cv_total_force_calc, "total force calculation", f_type_dynamic);
-    f_req_self(f_cv_total_force_calc, f_cv_scalar);
-    f_req_self(f_cv_total_force_calc, f_cv_linear);
-    f_req_children(f_cv_total_force_calc, f_cvc_inv_gradient);
-    f_req_self(f_cv_total_force_calc, f_cv_Jacobian);
-
-    init_feature(f_cv_Jacobian, "Jacobian derivative", f_type_dynamic);
-    f_req_self(f_cv_Jacobian, f_cv_scalar);
-    f_req_self(f_cv_Jacobian, f_cv_linear);
-    f_req_children(f_cv_Jacobian, f_cvc_Jacobian);
-
-    init_feature(f_cv_hide_Jacobian, "hide Jacobian force", f_type_user);
-    f_req_self(f_cv_hide_Jacobian, f_cv_Jacobian); // can only hide if calculated
-
-    init_feature(f_cv_extended_Lagrangian, "extended Lagrangian", f_type_user);
-    f_req_self(f_cv_extended_Lagrangian, f_cv_scalar);
-    f_req_self(f_cv_extended_Lagrangian, f_cv_gradient);
-
-    init_feature(f_cv_Langevin, "Langevin dynamics", f_type_user);
-    f_req_self(f_cv_Langevin, f_cv_extended_Lagrangian);
-
-    init_feature(f_cv_linear, "linear", f_type_static);
-
-    init_feature(f_cv_scalar, "scalar", f_type_static);
-
-    init_feature(f_cv_output_energy, "output energy", f_type_user);
-
-    init_feature(f_cv_output_value, "output value", f_type_user);
-
-    init_feature(f_cv_output_velocity, "output velocity", f_type_user);
-    f_req_self(f_cv_output_velocity, f_cv_fdiff_velocity);
-
-    init_feature(f_cv_output_applied_force, "output applied force", f_type_user);
-
-    init_feature(f_cv_output_total_force, "output total force", f_type_user);
-    f_req_self(f_cv_output_total_force, f_cv_total_force);
-
-    init_feature(f_cv_subtract_applied_force, "subtract applied force from total force", f_type_user);
-    f_req_self(f_cv_subtract_applied_force, f_cv_total_force);
-
-    init_feature(f_cv_lower_boundary, "lower boundary", f_type_user);
-    f_req_self(f_cv_lower_boundary, f_cv_scalar);
-
-    init_feature(f_cv_upper_boundary, "upper boundary", f_type_user);
-    f_req_self(f_cv_upper_boundary, f_cv_scalar);
-
-    init_feature(f_cv_grid, "grid", f_type_dynamic);
-    f_req_self(f_cv_grid, f_cv_lower_boundary);
-    f_req_self(f_cv_grid, f_cv_upper_boundary);
-
-    init_feature(f_cv_runave, "running average", f_type_user);
-
-    init_feature(f_cv_corrfunc, "correlation function", f_type_user);
-
-    init_feature(f_cv_scripted, "scripted", f_type_user);
-
-    init_feature(f_cv_custom_function, "custom function", f_type_user);
-    f_req_exclude(f_cv_custom_function, f_cv_scripted);
-
-    init_feature(f_cv_periodic, "periodic", f_type_static);
-    f_req_self(f_cv_periodic, f_cv_scalar);
-    init_feature(f_cv_scalar, "scalar", f_type_static);
-    init_feature(f_cv_linear, "linear", f_type_static);
-    init_feature(f_cv_homogeneous, "homogeneous", f_type_static);
-
-    // because total forces are obtained from the previous time step,
-    // we cannot (currently) have colvar values and total forces for the same timestep
-    init_feature(f_cv_multiple_ts, "multiple timestep colvar");
-    f_req_exclude(f_cv_multiple_ts, f_cv_total_force_calc);
-  }
-
-  // Initialize feature_states for each instance
-  feature_states.reserve(f_cv_ntot);
-  for (i = 0; i < f_cv_ntot; i++) {
-    feature_states.push_back(feature_state(true, false));
-    // Most features are available, so we set them so
-    // and list exceptions below
-   }
-
-  feature_states[f_cv_fdiff_velocity].available =
-    cvm::main()->proxy->simulation_running();
+// Ensure that exclusions are symmetric
+void colvardeps::exclude_feature_self(int f, int g) {
+  features()[f]->requires_exclude.push_back(g);
+  features()[g]->requires_exclude.push_back(f);
 }
 
 
-void colvardeps::init_cvc_requires() {
-  size_t i;
-  // Initialize static array once and for all
-  if (features().size() == 0) {
-    for (i = 0; i < colvardeps::f_cvc_ntot; i++) {
-      modify_features().push_back(new feature);
-    }
-
-    init_feature(f_cvc_active, "active", f_type_dynamic);
-//     The dependency below may become useful if we use dynamic atom groups
-//     f_req_children(f_cvc_active, f_ag_active);
-
-    init_feature(f_cvc_scalar, "scalar", f_type_static);
-
-    init_feature(f_cvc_gradient, "gradient", f_type_dynamic);
-
-    init_feature(f_cvc_implicit_gradient, "implicit gradient", f_type_static);
-    f_req_children(f_cvc_implicit_gradient, f_ag_implicit_gradient);
-
-    init_feature(f_cvc_inv_gradient, "inverse gradient", f_type_dynamic);
-    f_req_self(f_cvc_inv_gradient, f_cvc_gradient);
-
-    init_feature(f_cvc_debug_gradient, "debug gradient", f_type_user);
-    f_req_self(f_cvc_debug_gradient, f_cvc_gradient);
-    f_req_exclude(f_cvc_debug_gradient, f_cvc_implicit_gradient);
-
-    init_feature(f_cvc_Jacobian, "Jacobian derivative", f_type_dynamic);
-    f_req_self(f_cvc_Jacobian, f_cvc_inv_gradient);
-
-    init_feature(f_cvc_com_based, "depends on group centers of mass", f_type_static);
-
-    // init_feature(f_cvc_pbc_minimum_image, "use minimum-image distances with PBCs", f_type_user);
-
-    // Compute total force on first site only to avoid unwanted
-    // coupling to other colvars (see e.g. Ciccotti et al., 2005)
-    init_feature(f_cvc_one_site_total_force, "compute total force from one group", f_type_user);
-    f_req_self(f_cvc_one_site_total_force, f_cvc_com_based);
-
-    init_feature(f_cvc_scalable, "scalable calculation", f_type_static);
-    f_req_self(f_cvc_scalable, f_cvc_scalable_com);
-
-    init_feature(f_cvc_scalable_com, "scalable calculation of centers of mass", f_type_static);
-    f_req_self(f_cvc_scalable_com, f_cvc_com_based);
-
-
-    // TODO only enable this when f_ag_scalable can be turned on for a pre-initialized group
-    // f_req_children(f_cvc_scalable, f_ag_scalable);
-    // f_req_children(f_cvc_scalable_com, f_ag_scalable_com);
-  }
-
-  // Initialize feature_states for each instance
-  // default as available, not enabled
-  // except dynamic features which default as unavailable
-  feature_states.reserve(f_cvc_ntot);
-  for (i = 0; i < colvardeps::f_cvc_ntot; i++) {
-    bool avail = is_dynamic(i) ? false : true;
-    feature_states.push_back(feature_state(avail, false));
-  }
-
-  // CVCs are enabled from the start - get disabled based on flags
-  feature_states[f_cvc_active].enabled = true;
-
-  // Features that are implemented by all cvcs by default
-  // Each cvc specifies what other features are available
-  feature_states[f_cvc_active].available = true;
-  feature_states[f_cvc_gradient].available = true;
-
-  // Use minimum-image distances by default
-  feature_states[f_cvc_pbc_minimum_image].enabled = true;
+void colvardeps::require_feature_children(int f, int g) {
+  features()[f]->requires_children.push_back(g);
+}
 
-  // Features that are implemented by default if their requirements are
-  feature_states[f_cvc_one_site_total_force].available = true;
 
-  // Features That are implemented only for certain simulation engine configurations
-  feature_states[f_cvc_scalable_com].available = (cvm::proxy->scalable_group_coms() == COLVARS_OK);
-  feature_states[f_cvc_scalable].available = feature_states[f_cvc_scalable_com].available;
+void colvardeps::require_feature_alt(int f, int g, int h) {
+  features()[f]->requires_alt.push_back(std::vector<int>(2));
+  features()[f]->requires_alt.back()[0] = g;
+  features()[f]->requires_alt.back()[1] = h;
 }
 
 
-void colvardeps::init_ag_requires() {
-  size_t i;
-  // Initialize static array once and for all
-  if (features().size() == 0) {
-    for (i = 0; i < f_ag_ntot; i++) {
-      modify_features().push_back(new feature);
-    }
-
-    init_feature(f_ag_active, "active", f_type_dynamic);
-    init_feature(f_ag_center, "translational fit", f_type_static);
-    init_feature(f_ag_rotate, "rotational fit", f_type_static);
-    init_feature(f_ag_fitting_group, "reference positions group", f_type_static);
-    init_feature(f_ag_implicit_gradient, "implicit atom gradient", f_type_dynamic);
-    init_feature(f_ag_fit_gradients, "fit gradients", f_type_user);
-    f_req_exclude(f_ag_fit_gradients, f_ag_implicit_gradient);
-
-    init_feature(f_ag_atom_forces, "atomic forces", f_type_dynamic);
-
-    // parallel calculation implies that we have at least a scalable center of mass,
-    // but f_ag_scalable is kept as a separate feature to deal with future dependencies
-    init_feature(f_ag_scalable, "scalable group calculation", f_type_static);
-    init_feature(f_ag_scalable_com, "scalable group center of mass calculation", f_type_static);
-    f_req_self(f_ag_scalable, f_ag_scalable_com);
-
-//     init_feature(f_ag_min_msd_fit, "minimum MSD fit")
-//     f_req_self(f_ag_min_msd_fit, f_ag_center)
-//     f_req_self(f_ag_min_msd_fit, f_ag_rotate)
-//     f_req_exclude(f_ag_min_msd_fit, f_ag_fitting_group)
-  }
+void colvardeps::require_feature_alt(int f, int g, int h, int i) {
+  features()[f]->requires_alt.push_back(std::vector<int>(3));
+  features()[f]->requires_alt.back()[0] = g;
+  features()[f]->requires_alt.back()[1] = h;
+  features()[f]->requires_alt.back()[2] = i;
+}
 
-  // Initialize feature_states for each instance
-  // default as unavailable, not enabled
-  feature_states.reserve(f_ag_ntot);
-  for (i = 0; i < colvardeps::f_ag_ntot; i++) {
-    feature_states.push_back(feature_state(false, false));
-  }
 
-  // Features that are implemented (or not) by all atom groups
-  feature_states[f_ag_active].available = true;
-  // f_ag_scalable_com is provided by the CVC iff it is COM-based
-  feature_states[f_ag_scalable_com].available = false;
-  // TODO make f_ag_scalable depend on f_ag_scalable_com (or something else)
-  feature_states[f_ag_scalable].available = true;
-  feature_states[f_ag_fit_gradients].available = true;
-  feature_states[f_ag_implicit_gradient].available = true;
+void colvardeps::require_feature_alt(int f, int g, int h, int i, int j) {
+  features()[f]->requires_alt.push_back(std::vector<int>(4));
+  features()[f]->requires_alt.back()[0] = g;
+  features()[f]->requires_alt.back()[1] = h;
+  features()[f]->requires_alt.back()[2] = i;
+  features()[f]->requires_alt.back()[3] = j;
 }
 
 
@@ -720,7 +446,7 @@ void colvardeps::print_state() {
 void colvardeps::add_child(colvardeps *child) {
 
   children.push_back(child);
-  child->parents.push_back((colvardeps *)this);
+  child->parents.push_back(this);
 
   // Solve dependencies of already enabled parent features
   // in the new child
diff --git a/lib/colvars/colvardeps.h b/lib/colvars/colvardeps.h
index 940eefb01b1a83c5793f9f7f5de68229b7bfe0ad..198a24f330698abca802da08756b8fb438552f11 100644
--- a/lib/colvars/colvardeps.h
+++ b/lib/colvars/colvardeps.h
@@ -23,7 +23,11 @@
 /// 3. Static features are static properties of the object, determined
 ///   programatically at initialization time.
 ///
-/// In all classes, feature 0 is active. When an object is inactivated
+/// The following diagram summarizes the dependency tree at the bias, colvar, and colvarcomp levels.
+/// Isolated and atom group features are not shown to save space.
+/// @image html deps_2019.svg
+///
+/// In all classes, feature 0 is `active`. When an object is inactivated
 /// all its children dependencies are dereferenced (free_children_deps)
 /// While the object is inactive, no dependency solving is done on children
 /// it is done when the object is activated back (restore_children_deps)
@@ -72,7 +76,6 @@ protected:
   /// Unused by lower-level objects (cvcs and atom groups)
   int   time_step_factor;
 
-private:
   /// List of the states of all features
   std::vector<feature_state> feature_states;
 
@@ -89,14 +92,14 @@ public:
   inline int get_time_step_factor() const {return time_step_factor;}
 
   /// Pair a numerical feature ID with a description and type
-  void init_feature(int feature_id, const char *description, feature_type type = f_type_not_set);
+  void init_feature(int feature_id, const char *description, feature_type type);
 
   /// Describes a feature and its dependencies
   /// used in a static array within each subclass
   class feature {
 
   public:
-    feature() {}
+    feature() : type(f_type_not_set) {}
     ~feature() {}
 
     std::string description; // Set by derived object initializer
@@ -126,6 +129,7 @@ public:
     feature_type type;
   };
 
+  inline bool is_not_set(int id) { return features()[id]->type == f_type_not_set; }
   inline bool is_dynamic(int id) { return features()[id]->type == f_type_dynamic; }
   inline bool is_static(int id) { return features()[id]->type == f_type_static; }
   inline bool is_user(int id) { return features()[id]->type == f_type_user; }
@@ -135,7 +139,7 @@ public:
   // with a non-static array
   // Intermediate classes (colvarbias and colvarcomp, which are also base classes)
   // implement this as virtual to allow overriding
-  virtual const std::vector<feature *>&features() = 0;
+  virtual const std::vector<feature *> &features() const = 0;
   virtual std::vector<feature *>&modify_features() = 0;
 
   void add_child(colvardeps *child);
@@ -188,10 +192,12 @@ protected:
 
 public:
 
-  /// enable a feature and recursively solve its dependencies
-  /// for proper reference counting, one should not add
-  /// spurious calls to enable()
-  /// dry_run is set to true to recursively test if a feature is available, without enabling it
+  /// Enable a feature and recursively solve its dependencies.
+  /// For accurate reference counting, do not add spurious calls to enable()
+  /// \param dry_run Recursively test if a feature is available, without enabling it
+  /// \param toplevel False if this is called as part of a chain of dependency resolution.
+  /// This is used to diagnose failed dependencies by displaying the full stack:
+  /// only the toplevel dependency will throw a fatal error.
   int enable(int f, bool dry_run = false, bool toplevel = true);
 
   /// Disable a feature, decrease the reference count of its dependencies
@@ -318,8 +324,8 @@ public:
     f_cvc_active,
     f_cvc_scalar,
     f_cvc_gradient,
-    /// \brief CVC doesn't calculate and store explicit atom gradients
-    f_cvc_implicit_gradient,
+    /// \brief CVC calculates and stores explicit atom gradients
+    f_cvc_explicit_gradient,
     f_cvc_inv_gradient,
     /// \brief If enabled, calc_gradients() will call debug_gradients() for every group needed
     f_cvc_debug_gradient,
@@ -341,7 +347,7 @@ public:
     /// ie. not using refpositionsgroup
 //     f_ag_min_msd_fit,
     /// \brief Does not have explicit atom gradients from parent CVC
-    f_ag_implicit_gradient,
+    f_ag_explicit_gradient,
     f_ag_fit_gradients,
     f_ag_atom_forces,
     f_ag_scalable,
@@ -349,13 +355,39 @@ public:
     f_ag_ntot
   };
 
-  void init_cvb_requires();
-  void init_cv_requires();
-  void init_cvc_requires();
-  void init_ag_requires();
+  /// Initialize dependency tree for object of a derived class
+  virtual int init_dependencies() = 0;
+
+  /// Make feature f require feature g within the same object
+  void require_feature_self(int f, int g);
+
+  /// Make features f and g mutually exclusive within the same object
+  void exclude_feature_self(int f, int g);
+
+  /// Make feature f require feature g within children
+  void require_feature_children(int f, int g);
+
+  /// Make feature f require either g or h within the same object
+  void require_feature_alt(int f, int g, int h);
+
+  /// Make feature f require any of g, h, or i within the same object
+  void require_feature_alt(int f, int g, int h, int i);
+
+  /// Make feature f require any of g, h, i, or j within the same object
+  void require_feature_alt(int f, int g, int h, int i, int j);
 
   /// \brief print all enabled features and those of children, for debugging
   void print_state();
+
+  /// \brief Check that a feature is enabled, raising BUG_ERROR if not
+  inline void check_enabled(int f, std::string const &reason) const
+  {
+    if (! is_enabled(f)) {
+      cvm::error("Error: "+reason+" requires that the feature \""+
+                 features()[f]->description+"\" is active.\n", BUG_ERROR);
+    }
+  }
+
 };
 
 #endif
diff --git a/lib/colvars/colvargrid.cpp b/lib/colvars/colvargrid.cpp
index 407b336afd7b09e49a05c1550096bf318f4f06f3..dc1a709edbcc7a463bf547f9244d89b84e087081 100644
--- a/lib/colvars/colvargrid.cpp
+++ b/lib/colvars/colvargrid.cpp
@@ -109,7 +109,7 @@ cvm::real colvar_grid_scalar::entropy() const
 {
   cvm::real sum = 0.0;
   for (size_t i = 0; i < nt; i++) {
-    sum += -1.0 * data[i] * std::log(data[i]);
+    sum += -1.0 * data[i] * cvm::logn(data[i]);
   }
   cvm::real bin_volume = 1.0;
   for (size_t id = 0; id < widths.size(); id++) {
diff --git a/lib/colvars/colvargrid.h b/lib/colvars/colvargrid.h
index 9a0fe4c8ecb805045a6e19caa4f47aefc9c37434..2ba0566e492abb8b6f2790051c667302a1d77f7c 100644
--- a/lib/colvars/colvargrid.h
+++ b/lib/colvars/colvargrid.h
@@ -12,7 +12,6 @@
 
 #include <iostream>
 #include <iomanip>
-#include <cmath>
 
 #include "colvar.h"
 #include "colvarmodule.h"
@@ -53,7 +52,7 @@ protected:
   std::vector<colvar *> cv;
 
   /// Do we request actual value (for extended-system colvars)?
-  std::vector<bool> actual_value;
+  std::vector<bool> use_actual_value;
 
   /// Get the low-level index corresponding to an index
   inline size_t address(std::vector<int> const &ix) const
@@ -136,8 +135,8 @@ public:
   inline void request_actual_value(bool b = true)
   {
     size_t i;
-    for (i = 0; i < actual_value.size(); i++) {
-      actual_value[i] = b;
+    for (i = 0; i < use_actual_value.size(); i++) {
+      use_actual_value[i] = b;
     }
   }
 
@@ -215,7 +214,7 @@ public:
                                          mult(g.mult),
                                          data(),
                                          cv(g.cv),
-                                         actual_value(g.actual_value),
+                                         use_actual_value(g.use_actual_value),
                                          lower_boundaries(g.lower_boundaries),
                                          upper_boundaries(g.upper_boundaries),
                                          periodic(g.periodic),
@@ -290,13 +289,13 @@ public:
       periodic.push_back(cv[i]->periodic_boundaries());
 
       // By default, get reported colvar value (for extended Lagrangian colvars)
-      actual_value.push_back(false);
+      use_actual_value.push_back(false);
 
       // except if a colvar is specified twice in a row
       // then the first instance is the actual value
       // For histograms of extended-system coordinates
       if (i > 0 && cv[i-1] == cv[i]) {
-        actual_value[i-1] = true;
+        use_actual_value[i-1] = true;
       }
 
       if (margin) {
@@ -319,8 +318,7 @@ public:
     return this->setup();
   }
 
-  int init_from_boundaries(T const &t = T(),
-                           size_t const &mult_i = 1)
+  int init_from_boundaries()
   {
     if (cvm::debug()) {
       cvm::log("Configuring grid dimensions from colvars boundaries.\n");
@@ -337,7 +335,7 @@ public:
                           lower_boundaries[i].real_value ) / widths[i];
       int nbins_round = (int)(nbins+0.5);
 
-      if (std::fabs(nbins - cvm::real(nbins_round)) > 1.0E-10) {
+      if (cvm::fabs(nbins - cvm::real(nbins_round)) > 1.0E-10) {
         cvm::log("Warning: grid interval("+
                  cvm::to_str(lower_boundaries[i], cvm::cv_width, cvm::cv_prec)+" - "+
                  cvm::to_str(upper_boundaries[i], cvm::cv_width, cvm::cv_prec)+
@@ -392,20 +390,20 @@ public:
   /// \brief Report the bin corresponding to the current value of variable i
   inline int current_bin_scalar(int const i) const
   {
-    return value_to_bin_scalar(actual_value[i] ? cv[i]->actual_value() : cv[i]->value(), i);
+    return value_to_bin_scalar(use_actual_value[i] ? cv[i]->actual_value() : cv[i]->value(), i);
   }
 
   /// \brief Report the bin corresponding to the current value of variable i
   /// and assign first or last bin if out of boundaries
   inline int current_bin_scalar_bound(int const i) const
   {
-    return value_to_bin_scalar_bound(actual_value[i] ? cv[i]->actual_value() : cv[i]->value(), i);
+    return value_to_bin_scalar_bound(use_actual_value[i] ? cv[i]->actual_value() : cv[i]->value(), i);
   }
 
   /// \brief Report the bin corresponding to the current value of item iv in variable i
   inline int current_bin_scalar(int const i, int const iv) const
   {
-    return value_to_bin_scalar(actual_value[i] ?
+    return value_to_bin_scalar(use_actual_value[i] ?
                                cv[i]->actual_value().vector1d_value[iv] :
                                cv[i]->value().vector1d_value[iv], i);
   }
@@ -414,14 +412,14 @@ public:
   /// the provided value is in
   inline int value_to_bin_scalar(colvarvalue const &value, const int i) const
   {
-    return (int) std::floor( (value.real_value - lower_boundaries[i].real_value) / widths[i] );
+    return (int) cvm::floor( (value.real_value - lower_boundaries[i].real_value) / widths[i] );
   }
 
   /// \brief Use the lower boundary and the width to report which bin
   /// the provided value is in and assign first or last bin if out of boundaries
   inline int value_to_bin_scalar_bound(colvarvalue const &value, const int i) const
   {
-    int bin_index = std::floor( (value.real_value - lower_boundaries[i].real_value) / widths[i] );
+    int bin_index = cvm::floor( (value.real_value - lower_boundaries[i].real_value) / widths[i] );
     if (bin_index < 0) bin_index=0;
     if (bin_index >=int(nx[i])) bin_index=int(nx[i])-1;
     return (int) bin_index;
@@ -432,7 +430,7 @@ public:
                                  colvarvalue const &new_offset,
                                  cvm::real   const &new_width) const
   {
-    return (int) std::floor( (value.real_value - new_offset.real_value) / new_width );
+    return (int) cvm::floor( (value.real_value - new_offset.real_value) / new_width );
   }
 
   /// \brief Use the two boundaries and the width to report the
@@ -611,8 +609,8 @@ public:
 
       if (periodic[i]) continue;
 
-      cvm::real dl = std::sqrt(cv[i]->dist2(values[i], lower_boundaries[i])) / widths[i];
-      cvm::real du = std::sqrt(cv[i]->dist2(values[i], upper_boundaries[i])) / widths[i];
+      cvm::real dl = cvm::sqrt(cv[i]->dist2(values[i], lower_boundaries[i])) / widths[i];
+      cvm::real du = cvm::sqrt(cv[i]->dist2(values[i], upper_boundaries[i])) / widths[i];
 
       if (values[i].real_value < lower_boundaries[i])
         dl *= -1.0;
@@ -841,7 +839,7 @@ public:
 
     if (nd < lower_boundaries.size()) nd = lower_boundaries.size();
 
-    if (! actual_value.size()) actual_value.assign(nd, false);
+    if (! use_actual_value.size()) use_actual_value.assign(nd, false);
     if (! periodic.size()) periodic.assign(nd, false);
     if (! widths.size()) widths.assign(nd, 1.0);
 
@@ -849,7 +847,7 @@ public:
     if (old_nx.size()) {
       for (size_t i = 0; i < nd; i++) {
         if ( (old_nx[i] != nx[i]) ||
-             (std::sqrt(cv[i]->dist2(old_lb[i],
+             (cvm::sqrt(cv[i]->dist2(old_lb[i],
                                      lower_boundaries[i])) > 1.0E-10) ) {
           new_params = true;
         }
@@ -874,11 +872,11 @@ public:
   void check_consistency()
   {
     for (size_t i = 0; i < nd; i++) {
-      if ( (std::sqrt(cv[i]->dist2(cv[i]->lower_boundary,
+      if ( (cvm::sqrt(cv[i]->dist2(cv[i]->lower_boundary,
                                    lower_boundaries[i])) > 1.0E-10) ||
-           (std::sqrt(cv[i]->dist2(cv[i]->upper_boundary,
+           (cvm::sqrt(cv[i]->dist2(cv[i]->upper_boundary,
                                    upper_boundaries[i])) > 1.0E-10) ||
-           (std::sqrt(cv[i]->dist2(cv[i]->width,
+           (cvm::sqrt(cv[i]->dist2(cv[i]->width,
                                    widths[i])) > 1.0E-10) ) {
         cvm::error("Error: restart information for a grid is "
                    "inconsistent with that of its colvars.\n");
@@ -896,11 +894,11 @@ public:
       // we skip dist2(), because periodicities and the like should
       // matter: boundaries should be EXACTLY the same (otherwise,
       // map_grid() should be used)
-      if ( (std::fabs(other_grid.lower_boundaries[i] -
+      if ( (cvm::fabs(other_grid.lower_boundaries[i] -
                       lower_boundaries[i]) > 1.0E-10) ||
-           (std::fabs(other_grid.upper_boundaries[i] -
+           (cvm::fabs(other_grid.upper_boundaries[i] -
                       upper_boundaries[i]) > 1.0E-10) ||
-           (std::fabs(other_grid.widths[i] -
+           (cvm::fabs(other_grid.widths[i] -
                       widths[i]) > 1.0E-10) ||
            (data.size() != other_grid.data.size()) ) {
         cvm::error("Error: inconsistency between "
@@ -1036,11 +1034,11 @@ public:
   std::istream & read_multicol(std::istream &is, bool add = false)
   {
     // Data in the header: nColvars, then for each
-    // xiMin, dXi, nPoints, periodic
+    // xiMin, dXi, nPoints, periodic flag
 
     std::string   hash;
     cvm::real     lower, width, x;
-    size_t        n, periodic;
+    size_t        n, periodic_flag;
     bool          remap;
     std::vector<T>        new_value;
     std::vector<int>      nx_read;
@@ -1053,7 +1051,8 @@ public:
 
     if ( !(is >> hash) || (hash != "#") ) {
       cvm::error("Error reading grid at position "+
-                 cvm::to_str(is.tellg())+" in stream(read \"" + hash + "\")\n");
+                 cvm::to_str(static_cast<size_t>(is.tellg()))+
+                 " in stream(read \"" + hash + "\")\n");
       return is;
     }
 
@@ -1075,15 +1074,16 @@ public:
     for (size_t i = 0; i < nd; i++ ) {
       if ( !(is >> hash) || (hash != "#") ) {
         cvm::error("Error reading grid at position "+
-                   cvm::to_str(is.tellg())+" in stream(read \"" + hash + "\")\n");
+                   cvm::to_str(static_cast<size_t>(is.tellg()))+
+                   " in stream(read \"" + hash + "\")\n");
         return is;
       }
 
-      is >> lower >> width >> nx_read[i] >> periodic;
+      is >> lower >> width >> nx_read[i] >> periodic_flag;
 
 
-      if ( (std::fabs(lower - lower_boundaries[i].real_value) > 1.0e-10) ||
-           (std::fabs(width - widths[i] ) > 1.0e-10) ||
+      if ( (cvm::fabs(lower - lower_boundaries[i].real_value) > 1.0e-10) ||
+           (cvm::fabs(width - widths[i] ) > 1.0e-10) ||
            (nx_read[i] != nx[i]) ) {
         cvm::log("Warning: reading from different grid definition (colvar "
                  + cvm::to_str(i+1) + "); remapping data on new grid.\n");
@@ -1246,7 +1246,7 @@ public:
       if (A0 * A1 == 0) {
         return 0.; // can't handle empty bins
       } else {
-        return (std::log((cvm::real)A1) - std::log((cvm::real)A0))
+        return (cvm::logn((cvm::real)A1) - cvm::logn((cvm::real)A0))
           / (widths[n] * 2.);
       }
     } else if (ix[n] > 0 && ix[n] < nx[n]-1) { // not an edge
@@ -1258,7 +1258,7 @@ public:
       if (A0 * A1 == 0) {
         return 0.; // can't handle empty bins
       } else {
-        return (std::log((cvm::real)A1) - std::log((cvm::real)A0))
+        return (cvm::logn((cvm::real)A1) - cvm::logn((cvm::real)A0))
           / (widths[n] * 2.);
       }
     } else {
@@ -1271,8 +1271,8 @@ public:
       if (A0 * A1 * A2 == 0) {
         return 0.; // can't handle empty bins
       } else {
-        return (-1.5 * std::log((cvm::real)A0) + 2. * std::log((cvm::real)A1)
-          - 0.5 * std::log((cvm::real)A2)) * increment / widths[n];
+        return (-1.5 * cvm::logn((cvm::real)A0) + 2. * cvm::logn((cvm::real)A1)
+          - 0.5 * cvm::logn((cvm::real)A2)) * increment / widths[n];
       }
     }
   }
diff --git a/lib/colvars/colvarmodule.cpp b/lib/colvars/colvarmodule.cpp
index d88a97a441ac050cc0003d19e24b93edc40f4468..baffc25c28c08c9909f4ef6473408a3295feeea7 100644
--- a/lib/colvars/colvarmodule.cpp
+++ b/lib/colvars/colvarmodule.cpp
@@ -28,6 +28,8 @@
 colvarmodule::colvarmodule(colvarproxy *proxy_in)
 {
   depth_s = 0;
+  log_level_ = 10;
+
   cv_traj_os = NULL;
 
   if (proxy == NULL) {
@@ -152,12 +154,12 @@ int colvarmodule::read_config_string(std::string const &config_str)
 {
   cvm::log(cvm::line_marker);
   cvm::log("Reading new configuration:\n");
-  std::istringstream config_s(config_str);
+  std::istringstream new_config_s(config_str);
 
   // strip the comments away
   std::string conf = "";
   std::string line;
-  while (parse->read_config_line(config_s, line)) {
+  while (parse->read_config_line(new_config_s, line)) {
     // Delete lines that contain only white space after removing comments
     if (line.find_first_not_of(colvarparse::white_space) != std::string::npos)
       conf.append(line+"\n");
@@ -255,13 +257,16 @@ int colvarmodule::append_new_config(std::string const &new_conf)
 
 int colvarmodule::parse_global_params(std::string const &conf)
 {
-  colvarmodule *cvm = cvm::main();
+  // TODO document and then echo this keyword
+  parse->get_keyval(conf, "logLevel", log_level_, log_level_,
+                    colvarparse::parse_silent);
 
   {
     std::string index_file_name;
     size_t pos = 0;
     while (parse->key_lookup(conf, "indexFile", &index_file_name, &pos)) {
-      cvm->read_index_file(index_file_name.c_str());
+      cvm::log("# indexFile = \""+index_file_name+"\"\n");
+      read_index_file(index_file_name.c_str());
       index_file_name.clear();
     }
   }
@@ -580,6 +585,24 @@ cvm::atom_group *colvarmodule::atom_group_by_name(std::string const &name)
 }
 
 
+void colvarmodule::register_named_atom_group(atom_group *ag) {
+  named_atom_groups.push_back(ag);
+}
+
+
+void colvarmodule::unregister_named_atom_group(cvm::atom_group *ag)
+{
+  for (std::vector<cvm::atom_group *>::iterator agi = named_atom_groups.begin();
+       agi != named_atom_groups.end();
+       agi++) {
+    if (*agi == ag) {
+      named_atom_groups.erase(agi);
+      break;
+    }
+  }
+}
+
+
 int colvarmodule::change_configuration(std::string const &bias_name,
                                        std::string const &conf)
 {
@@ -1034,9 +1057,6 @@ int colvarmodule::analyze()
     cvm::log("colvarmodule::analyze(), step = "+cvm::to_str(it)+".\n");
   }
 
-  if (cvm::step_relative() == 0)
-    cvm::log("Performing analysis.\n");
-
   // perform colvar-specific analysis
   for (std::vector<colvar *>::iterator cvi = variables_active()->begin();
        cvi != variables_active()->end();
@@ -1089,7 +1109,6 @@ int colvarmodule::end_of_step()
 int colvarmodule::setup()
 {
   if (this->size() == 0) return cvm::get_error();
-  // loop over all components of all colvars to reset masses of all groups
   for (std::vector<colvar *>::iterator cvi = variables()->begin();
        cvi != variables()->end();  cvi++) {
     (*cvi)->setup();
@@ -1248,13 +1267,13 @@ std::istream & colvarmodule::read_restart(std::istream &is)
     std::string restart_conf;
     if (is >> colvarparse::read_block("configuration", restart_conf)) {
       parse->get_keyval(restart_conf, "step",
-                        it_restart, (size_t) 0,
-                        colvarparse::parse_silent);
+                        it_restart, static_cast<step_number>(0),
+                        colvarparse::parse_restart);
         it = it_restart;
       std::string restart_version;
       parse->get_keyval(restart_conf, "version",
                         restart_version, std::string(""),
-                        colvarparse::parse_silent);
+                        colvarparse::parse_restart);
       if (restart_version.size() && (restart_version != std::string(COLVARS_VERSION))) {
         cvm::log("This state file was generated with version "+restart_version+"\n");
       }
@@ -1600,14 +1619,16 @@ std::ostream & colvarmodule::write_traj(std::ostream &os)
 }
 
 
-void cvm::log(std::string const &message)
+void cvm::log(std::string const &message, int min_log_level)
 {
+  if (cvm::log_level() < min_log_level) return;
   // allow logging when the module is not fully initialized
   size_t const d = (cvm::main() != NULL) ? depth() : 0;
-  if (d > 0)
+  if (d > 0) {
     proxy->log((std::string(2*d, ' '))+message);
-  else
+  } else {
     proxy->log(message);
+  }
 }
 
 
@@ -1915,14 +1936,190 @@ int cvm::replica_comm_send(char* msg_data, int msg_len, int dest_rep)
 
 
 
+template<typename T> std::string _to_str(T const &x,
+                                         size_t width, size_t prec)
+{
+  std::ostringstream os;
+  if (width) os.width(width);
+  if (prec) {
+    os.setf(std::ios::scientific, std::ios::floatfield);
+    os.precision(prec);
+  }
+  os << x;
+  return os.str();
+}
+
+
+template<typename T> std::string _to_str_vector(std::vector<T> const &x,
+                                                size_t width, size_t prec)
+{
+  if (!x.size()) return std::string("");
+  std::ostringstream os;
+  if (prec) {
+    os.setf(std::ios::scientific, std::ios::floatfield);
+  }
+  os << "{ ";
+  if (width) os.width(width);
+  if (prec) os.precision(prec);
+  os << x[0];
+  for (size_t i = 1; i < x.size(); i++) {
+    os << ", ";
+    if (width) os.width(width);
+    if (prec) os.precision(prec);
+    os << x[i];
+  }
+  os << " }";
+  return os.str();
+}
+
+
+
+std::string colvarmodule::to_str(std::string const &x)
+{
+  return std::string("\"")+x+std::string("\"");
+}
+
+std::string colvarmodule::to_str(char const *x)
+{
+  return std::string("\"")+std::string(x)+std::string("\"");
+}
+
+std::string colvarmodule::to_str(bool x)
+{
+  return (x ? "on" : "off");
+}
+
+std::string colvarmodule::to_str(int const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<int>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(size_t const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<size_t>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(long int const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<long int>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(step_number const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<step_number>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(cvm::real const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<cvm::real>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(cvm::rvector const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<cvm::rvector>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(cvm::quaternion const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<cvm::quaternion>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(colvarvalue const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str<colvarvalue>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(cvm::vector1d<cvm::real> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str< cvm::vector1d<cvm::real> >(x, width, prec);
+}
+
+std::string colvarmodule::to_str(cvm::matrix2d<cvm::real> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str< cvm::matrix2d<cvm::real> >(x, width, prec);
+}
+
+
+std::string colvarmodule::to_str(std::vector<int> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<int>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<size_t> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<size_t>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<long int> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<long int>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<cvm::real> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<cvm::real>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<cvm::rvector> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<cvm::rvector>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<cvm::quaternion> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<cvm::quaternion>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<colvarvalue> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<colvarvalue>(x, width, prec);
+}
+
+std::string colvarmodule::to_str(std::vector<std::string> const &x,
+                                 size_t width, size_t prec)
+{
+  return _to_str_vector<std::string>(x, width, prec);
+}
+
+
+std::string cvm::wrap_string(std::string const &s, size_t nchars)
+{
+  if (!s.size()) {
+    return std::string(nchars, ' ');
+  } else {
+    return ( (s.size() <= nchars) ?
+             (s+std::string(nchars-s.size(), ' ')) :
+             (std::string(s, 0, nchars)) );
+  }
+}
+
+
 // shared pointer to the proxy object
 colvarproxy *colvarmodule::proxy = NULL;
 
 // static runtime data
 cvm::real colvarmodule::debug_gradients_step_size = 1.0e-07;
 int       colvarmodule::errorCode = 0;
-long      colvarmodule::it = 0;
-long      colvarmodule::it_restart = 0;
+int       colvarmodule::log_level_ = 10;
+cvm::step_number colvarmodule::it = 0;
+cvm::step_number colvarmodule::it_restart = 0;
 size_t    colvarmodule::restart_out_freq = 0;
 size_t    colvarmodule::cv_traj_freq = 0;
 bool      colvarmodule::use_scripted_forces = false;
diff --git a/lib/colvars/colvarmodule.h b/lib/colvars/colvarmodule.h
index 99b797627e7e2f1477482eb76e82b194cf4655e4..30620a252799752be8db55aa5d5b9214cdf8d0de 100644
--- a/lib/colvars/colvarmodule.h
+++ b/lib/colvars/colvarmodule.h
@@ -10,6 +10,8 @@
 #ifndef COLVARMODULE_H
 #define COLVARMODULE_H
 
+#include <cmath>
+
 #include "colvars_version.h"
 
 #ifndef COLVARS_DEBUG
@@ -55,6 +57,7 @@ class colvar;
 class colvarbias;
 class colvarproxy;
 class colvarscript;
+class colvarvalue;
 
 
 /// \brief Collective variables module (main class)
@@ -88,10 +91,16 @@ public:
   // TODO colvarscript should be unaware of colvarmodule's internals
   friend class colvarscript;
 
+  /// Use a 64-bit integer to store the step number
+  typedef long long step_number;
+
   /// Defining an abstract real number allows to switch precision
   typedef  double    real;
 
-  /// Override std::pow with a product for n integer
+
+  // Math functions
+
+  /// Override the STL pow() with a product for n integer
   static inline real integer_power(real const &x, int const n)
   {
     // Original code: math_special.h in LAMMPS
@@ -105,8 +114,68 @@ public:
     return (n > 0) ? yy : 1.0/yy;
   }
 
-  /// Residue identifier
-  typedef  int       residue_id;
+  /// Reimplemented to work around MS compiler issues
+  static inline real pow(real const &x, real const &y)
+  {
+    return ::pow(static_cast<double>(x), static_cast<double>(y));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real floor(real const &x)
+  {
+    return ::floor(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real fabs(real const &x)
+  {
+    return ::fabs(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real sqrt(real const &x)
+  {
+    return ::sqrt(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real sin(real const &x)
+  {
+    return ::sin(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real cos(real const &x)
+  {
+    return ::cos(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real acos(real const &x)
+  {
+    return ::acos(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real atan2(real const &x, real const &y)
+  {
+    return ::atan2(static_cast<double>(x), static_cast<double>(y));
+  }
+
+  /// Reimplemented to work around MS compiler issues
+  static inline real exp(real const &x)
+  {
+    return ::exp(static_cast<double>(x));
+  }
+
+  /// Reimplemented to work around MS compiler issues.  Note: log() is
+  /// currently defined as the text logging function, but this can be changed
+  /// at a later time
+  static inline real logn(real const &x)
+  {
+    return ::log(static_cast<double>(x));
+  }
+
 
   class rvector;
   template <class T> class vector1d;
@@ -114,6 +183,10 @@ public:
   class quaternion;
   class rotation;
 
+
+  /// Residue identifier
+  typedef int residue_id;
+
   /// \brief Atom position (different type name from rvector, to make
   /// possible future PBC-transparent implementations)
   typedef rvector atom_pos;
@@ -150,19 +223,19 @@ public:
 
 
   /// Current step number
-  static long it;
+  static step_number it;
   /// Starting step number for this run
-  static long it_restart;
+  static step_number it_restart;
 
   /// Return the current step number from the beginning of this run
-  static inline long step_relative()
+  static inline step_number step_relative()
   {
     return it - it_restart;
   }
 
   /// Return the current step number from the beginning of the whole
   /// calculation
-  static inline long step_absolute()
+  static inline step_number step_absolute()
   {
     return it;
   }
@@ -203,9 +276,10 @@ private:
   std::vector<atom_group *> named_atom_groups;
 public:
   /// Register a named atom group into named_atom_groups
-  inline void register_named_atom_group(atom_group * ag) {
-    named_atom_groups.push_back(ag);
-  }
+  void register_named_atom_group(atom_group *ag);
+
+  /// Remove a named atom group from named_atom_groups
+  void unregister_named_atom_group(atom_group *ag);
 
   /// Array of collective variables
   std::vector<colvar *> *variables();
@@ -254,8 +328,7 @@ public:
   /// \brief How many objects are configured yet?
   size_t size() const;
 
-  /// \brief Constructor \param config_name Configuration file name
-  /// \param restart_name (optional) Restart file name
+  /// \brief Constructor
   colvarmodule(colvarproxy *proxy);
 
   /// Destructor
@@ -265,6 +338,7 @@ public:
   int reset();
 
   /// Open a config file, load its contents, and pass it to config_string()
+  /// \param config_file_name Configuration file name
   int read_config_file(char const *config_file_name);
 
   /// \brief Parse a config string assuming it is a complete configuration
@@ -431,26 +505,92 @@ public:
                 long        traj_read_begin,
                 long        traj_read_end);
 
-  /// Quick conversion of an object to a string
-  template<typename T> static std::string to_str(T const &x,
-                                                  size_t const &width = 0,
-                                                  size_t const &prec = 0);
-  /// Quick conversion of a vector of objects to a string
-  template<typename T> static std::string to_str(std::vector<T> const &x,
-                                                  size_t const &width = 0,
-                                                  size_t const &prec = 0);
+  /// Convert to string for output purposes
+  static std::string to_str(char const *s);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::string const &s);
+
+  /// Convert to string for output purposes
+  static std::string to_str(bool x);
+
+  /// Convert to string for output purposes
+  static std::string to_str(int const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(size_t const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(long int const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(step_number const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(real const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(rvector const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(quaternion const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(colvarvalue const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(vector1d<real> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(matrix2d<real> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<int> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<size_t> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<long int> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<real> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<rvector> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<quaternion> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<colvarvalue> const &x,
+                            size_t width = 0, size_t prec = 0);
+
+  /// Convert to string for output purposes
+  static std::string to_str(std::vector<std::string> const &x,
+                            size_t width = 0, size_t prec = 0);
+
 
   /// Reduce the number of characters in a string
-  static inline std::string wrap_string(std::string const &s,
-                                         size_t const &nchars)
-  {
-    if (!s.size())
-      return std::string(nchars, ' ');
-    else
-      return ( (s.size() <= size_t(nchars)) ?
-               (s+std::string(nchars-s.size(), ' ')) :
-               (std::string(s, 0, nchars)) );
-  }
+  static std::string wrap_string(std::string const &s,
+                                 size_t nchars);
 
   /// Number of characters to represent a time step
   static size_t const it_width;
@@ -485,7 +625,9 @@ public:
   static void request_total_force();
 
   /// Print a message to the main log
-  static void log(std::string const &message);
+  /// \param message Message to print
+  /// \param min_log_level Only print if cvm::log_level() >= min_log_level
+  static void log(std::string const &message, int min_log_level = 10);
 
   /// Print a message to the main log and exit with error code
   static int fatal_error(std::string const &message);
@@ -493,6 +635,50 @@ public:
   /// Print a message to the main log and set global error code
   static int error(std::string const &message, int code = COLVARS_ERROR);
 
+private:
+
+  /// Level of logging requested by the user
+  static int log_level_;
+
+public:
+
+  /// Level of logging requested by the user
+  static inline int log_level()
+  {
+    return log_level_;
+  }
+
+  /// Level at which initialization messages are logged
+  static inline int log_init_messages()
+  {
+    return 1;
+  }
+
+  /// Level at which a keyword's user-provided value is logged
+  static inline int log_user_params()
+  {
+    return 2;
+  }
+
+  /// Level at which a keyword's default value is logged
+  static inline int log_default_params()
+  {
+    return 3;
+  }
+
+  /// Level at which output-file operations are logged
+  static inline int log_output_files()
+  {
+    return 4;
+  }
+
+  /// Level at which input-file operations (configuration, state) are logged
+  static inline int log_input_files()
+  {
+    return 5;
+  }
+
+
   // Replica exchange commands.
   static bool replica_enabled();
   static int replica_index();
@@ -630,41 +816,4 @@ std::ostream & operator << (std::ostream &os, cvm::rvector const &v);
 std::istream & operator >> (std::istream &is, cvm::rvector &v);
 
 
-template<typename T> std::string cvm::to_str(T const &x,
-                                             size_t const &width,
-                                             size_t const &prec) {
-  std::ostringstream os;
-  if (width) os.width(width);
-  if (prec) {
-    os.setf(std::ios::scientific, std::ios::floatfield);
-    os.precision(prec);
-  }
-  os << x;
-  return os.str();
-}
-
-
-template<typename T> std::string cvm::to_str(std::vector<T> const &x,
-                                             size_t const &width,
-                                             size_t const &prec) {
-  if (!x.size()) return std::string("");
-  std::ostringstream os;
-  if (prec) {
-    os.setf(std::ios::scientific, std::ios::floatfield);
-  }
-  os << "{ ";
-  if (width) os.width(width);
-  if (prec) os.precision(prec);
-  os << x[0];
-  for (size_t i = 1; i < x.size(); i++) {
-    os << ", ";
-    if (width) os.width(width);
-    if (prec) os.precision(prec);
-    os << x[i];
-  }
-  os << " }";
-  return os.str();
-}
-
-
 #endif
diff --git a/lib/colvars/colvarparse.cpp b/lib/colvars/colvarparse.cpp
index d8b3a359cd3de9ed4dc06ba854bf2f795090baa7..10dce911ee62045679f92f90d95fdf0f4d8f0eb1 100644
--- a/lib/colvars/colvarparse.cpp
+++ b/lib/colvars/colvarparse.cpp
@@ -10,6 +10,7 @@
 
 #include <sstream>
 #include <iostream>
+#include <algorithm>
 
 #include "colvarmodule.h"
 #include "colvarvalue.h"
@@ -20,15 +21,21 @@
 char const * const colvarparse::white_space = " \t";
 
 
-// definition of single-value keyword parsers
+namespace {
 
-template<typename TYPE> bool colvarparse::_get_keyval_scalar_(std::string const &conf,
-                                                              char const *key,
-                                                              TYPE &value,
-                                                              TYPE const &def_value,
-                                                              Parse_Mode const parse_mode)
+  // Avoid having to put the bool assignment in the template :-(
+  void set_bool(void *p, bool val)
+  {
+    bool *v = reinterpret_cast<bool *>(p);
+    *v = val;
+  }
+
+}
+
+
+bool colvarparse::get_key_string_value(std::string const &conf,
+                                       char const *key, std::string &data)
 {
-  std::string data;
   bool b_found = false, b_found_any = false;
   size_t save_pos = 0, found_count = 0;
 
@@ -48,137 +55,193 @@ template<typename TYPE> bool colvarparse::_get_keyval_scalar_(std::string const
                std::string(key)+"\".\n", INPUT_ERROR);
   }
 
-  if (data.size()) {
-    std::istringstream is(data);
-    TYPE x(def_value);
-    if (is >> x) {
-      value = x;
-    } else {
-      cvm::error("Error: in parsing \""+
-                 std::string(key)+"\".\n", INPUT_ERROR);
-    }
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = "+
-               cvm::to_str(value)+"\n");
-    }
-  } else {
+  return b_found_any;
+}
 
-    if (b_found_any) {
-      cvm::error("Error: improper or missing value "
-                 "for \""+std::string(key)+"\".\n", INPUT_ERROR);
-    }
-    value = def_value;
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = "+
-               cvm::to_str(def_value)+" [default]\n");
-    }
+
+template<typename TYPE>
+void colvarparse::mark_key_set_user(std::string const &key_str,
+                                    TYPE const &value,
+                                    Parse_Mode const &parse_mode)
+{
+  key_set_modes[to_lower_cppstr(key_str)] = key_set_user;
+  if (parse_mode & parse_echo) {
+    cvm::log("# "+key_str+" = "+cvm::to_str(value)+"\n",
+             cvm::log_user_params());
   }
+}
 
-  return b_found_any;
+
+template<typename TYPE>
+void colvarparse::mark_key_set_default(std::string const &key_str,
+                                       TYPE const &def_value,
+                                       Parse_Mode const &parse_mode)
+{
+  key_set_modes[to_lower_cppstr(key_str)] = key_set_default;
+  if (parse_mode & parse_echo_default) {
+    cvm::log("# "+key_str+" = "+cvm::to_str(def_value)+
+             " [default]\n", cvm::log_default_params());
+  }
 }
 
 
-bool colvarparse::_get_keyval_scalar_string_(std::string const &conf,
-                                             char const *key,
-                                             std::string &value,
-                                             std::string const &def_value,
-                                             Parse_Mode const parse_mode)
+void colvarparse::error_key_required(std::string const &key_str,
+                                     Parse_Mode const &parse_mode)
 {
-  std::string data;
-  bool b_found = false, b_found_any = false;
-  size_t save_pos = 0, found_count = 0;
+  if (key_already_set(key_str)) {
+    return;
+  }
+  if (parse_mode & parse_restart) {
+    cvm::error("Error: keyword \""+key_str+
+               "\" is missing from the restart.\n", INPUT_ERROR);
+  } else {
+    cvm::error("Error: keyword \""+key_str+
+               "\" is required.\n", INPUT_ERROR);
+  }
+}
 
-  do {
-    std::string data_this = "";
-    b_found = key_lookup(conf, key, &data_this, &save_pos);
-    if (b_found) {
-      if (!b_found_any)
-        b_found_any = true;
-      found_count++;
-      data = data_this;
-    }
-  } while (b_found);
 
-  if (found_count > 1) {
-    cvm::error("Error: found more than one instance of \""+
-               std::string(key)+"\".\n", INPUT_ERROR);
+template<typename TYPE>
+int colvarparse::_get_keyval_scalar_value_(std::string const &key_str,
+                                           std::string const &data,
+                                           TYPE &value,
+                                           TYPE const &def_value)
+{
+  std::istringstream is(data);
+  size_t value_count = 0;
+  TYPE x(def_value);
+
+  while (is >> x) {
+    value = x;
+    value_count++;
   }
 
-  if (data.size()) {
-    std::istringstream is(data);
-    size_t data_count = 0;
-    std::string x(def_value);
-    while (is >> x) {
-      value = x;
-      data_count++;
-    }
-    if (data_count == 0)
-      cvm::error("Error: in parsing \""+
-                 std::string(key)+"\".\n", INPUT_ERROR);
-    if (data_count > 1) {
-      cvm::error("Error: multiple values "
-                 "are not allowed for keyword \""+
-                 std::string(key)+"\".\n", INPUT_ERROR);
-    }
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = \""+
-               cvm::to_str(value)+"\"\n");
-    }
-  } else {
+  if (value_count == 0) {
+    return cvm::error("Error: in parsing \""+
+                      key_str+"\".\n", INPUT_ERROR);
+  }
 
-    if (b_found_any) {
-      cvm::error("Error: improper or missing value "
-                 "for \""+std::string(key)+"\".\n", INPUT_ERROR);
-    }
-    value = def_value;
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = \""+
-               cvm::to_str(def_value)+"\" [default]\n");
-    }
+  if (value_count > 1) {
+    return cvm::error("Error: multiple values "
+                      "are not allowed for keyword \""+
+                      key_str+"\".\n", INPUT_ERROR);
   }
 
-  return b_found_any;
+  return COLVARS_OK;
 }
 
 
-// multiple-value keyword parsers
+template<>
+int colvarparse::_get_keyval_scalar_value_(std::string const &key_str,
+                                           std::string const &data,
+                                           bool &value,
+                                           bool const &def_value)
+{
+  if ( (data == std::string("on")) ||
+       (data == std::string("yes")) ||
+       (data == std::string("true")) ) {
+    set_bool(reinterpret_cast<void *>(&value), true);
+  } else if ( (data == std::string("off")) ||
+              (data == std::string("no")) ||
+              (data == std::string("false")) ) {
+    set_bool(reinterpret_cast<void *>(&value), false);
+  } else {
+    return cvm::error("Error: boolean values only are allowed "
+                      "for \""+key_str+"\".\n", INPUT_ERROR);
+  }
+  return COLVARS_OK;
+}
+
+
+template<typename TYPE>
+int colvarparse::_get_keyval_scalar_novalue_(std::string const &key_str,
+                                             TYPE &value,
+                                             Parse_Mode const &parse_mode)
+{
+  return cvm::error("Error: improper or missing value "
+                    "for \""+key_str+"\".\n", INPUT_ERROR);
+}
 
-template<typename TYPE> bool colvarparse::_get_keyval_vector_(std::string const &conf,
-                                                              char const *key,
-                                                              std::vector<TYPE> &values,
-                                                              std::vector<TYPE> const &def_values,
-                                                              Parse_Mode const parse_mode)
+template<>
+int colvarparse::_get_keyval_scalar_novalue_(std::string const &key_str,
+                                             bool &value,
+                                             Parse_Mode const &parse_mode)
 {
+  set_bool(reinterpret_cast<void *>(&value), true);
+  mark_key_set_user<bool>(key_str, value, parse_mode);
+  return COLVARS_OK;
+}
+
+
+template<typename TYPE>
+bool colvarparse::_get_keyval_scalar_(std::string const &conf,
+                                      char const *key,
+                                      TYPE &value,
+                                      TYPE const &def_value,
+                                      Parse_Mode const &parse_mode)
+{
+  std::string const key_str(key);
+
   std::string data;
-  bool b_found = false, b_found_any = false;
-  size_t save_pos = 0, found_count = 0;
+  bool const b_found_any = get_key_string_value(conf, key, data);
 
-  do {
-    std::string data_this = "";
-    b_found = key_lookup(conf, key, &data_this, &save_pos);
-    if (b_found) {
-      if (!b_found_any)
-        b_found_any = true;
-      found_count++;
-      data = data_this;
-    }
-  } while (b_found);
+  if (data.size()) {
 
-  if (found_count > 1) {
-    cvm::error("Error: found more than one instance of \""+
-               std::string(key)+"\".\n", INPUT_ERROR);
+    _get_keyval_scalar_value_<TYPE>(key_str, data, value, def_value);
+
+    mark_key_set_user<TYPE>(key_str, value, parse_mode);
+
+  } else { // No string value
+
+    if (b_found_any) {
+
+      _get_keyval_scalar_novalue_<TYPE>(key_str, value, parse_mode);
+
+    } else {
+
+      if (parse_mode & parse_required) {
+        if (cvm::debug()) {
+          cvm::log("get_keyval, parse_required = "+cvm::to_str(parse_mode & parse_required)+
+                   "\n");
+        }
+        error_key_required(key_str, parse_mode);
+        return false;
+      }
+
+      if ( (parse_mode & parse_override) || !(key_already_set(key)) ) {
+        value = def_value;
+        mark_key_set_default<TYPE>(key_str, value, parse_mode);
+      }
+    }
   }
 
+  return b_found_any;
+}
+
+
+template<typename TYPE>
+bool colvarparse::_get_keyval_vector_(std::string const &conf,
+                                      char const *key,
+                                      std::vector<TYPE> &values,
+                                      std::vector<TYPE> const &def_values,
+                                      Parse_Mode const &parse_mode)
+{
+  std::string const key_str(key);
+
+  std::string data;
+  bool const b_found_any = get_key_string_value(conf, key, data);
+
   if (data.size()) {
     std::istringstream is(data);
 
     if (values.size() == 0) {
 
       std::vector<TYPE> x;
-      if (def_values.size())
+      if (def_values.size()) {
         x = def_values;
-      else
+      } else {
         x.assign(1, TYPE());
+      }
 
       for (size_t i = 0;
            ( is >> x[ ((i<x.size()) ? i : x.size()-1) ] );
@@ -195,29 +258,39 @@ template<typename TYPE> bool colvarparse::_get_keyval_vector_(std::string const
           values[i] = x;
         } else {
           cvm::error("Error: in parsing \""+
-                     std::string(key)+"\".\n", INPUT_ERROR);
+                     key_str+"\".\n", INPUT_ERROR);
         }
       }
     }
 
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = "+
-               cvm::to_str(values)+"\n");
-    }
+    mark_key_set_user< std::vector<TYPE> >(key_str, values, parse_mode);
 
   } else {
 
     if (b_found_any) {
       cvm::error("Error: improper or missing values for \""+
-                 std::string(key)+"\".\n", INPUT_ERROR);
-    }
+                 key_str+"\".\n", INPUT_ERROR);
+    } else {
 
-    for (size_t i = 0; i < values.size(); i++)
-      values[i] = def_values[ (i > def_values.size()) ? 0 : i ];
+      if ((values.size() > 0) && (values.size() != def_values.size())) {
+        cvm::error("Error: the number of default values for \""+
+                   key_str+"\" is different from the number of "
+                   "current values.\n", BUG_ERROR);
+      }
+
+      if (parse_mode & parse_required) {
+        error_key_required(key_str, parse_mode);
+        return false;
+      }
+
+      if ( (parse_mode & parse_override) || !(key_already_set(key)) ) {
+        for (size_t i = 0; i < values.size(); i++) {
+          values[i] = def_values[i];
+        }
+        mark_key_set_default< std::vector<TYPE> >(key_str, def_values,
+                                                  parse_mode);
+      }
 
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = "+
-               cvm::to_str(def_values)+" [default]\n");
     }
   }
 
@@ -255,13 +328,22 @@ bool colvarparse::get_keyval(std::string const &conf,
   return _get_keyval_scalar_<long>(conf, key, value, def_value, parse_mode);
 }
 
+bool colvarparse::get_keyval(std::string const &conf,
+                             char const *key,
+                             cvm::step_number &value,
+                             cvm::step_number const &def_value,
+                             Parse_Mode const parse_mode)
+{
+  return _get_keyval_scalar_<cvm::step_number>(conf, key, value, def_value, parse_mode);
+}
+
 bool colvarparse::get_keyval(std::string const &conf,
                              char const *key,
                              std::string &value,
                              std::string const &def_value,
                              Parse_Mode const parse_mode)
 {
-  return _get_keyval_scalar_string_(conf, key, value, def_value, parse_mode);
+  return _get_keyval_scalar_<std::string>(conf, key, value, def_value, parse_mode);
 }
 
 bool colvarparse::get_keyval(std::string const &conf,
@@ -300,66 +382,13 @@ bool colvarparse::get_keyval(std::string const &conf,
   return _get_keyval_scalar_<colvarvalue>(conf, key, value, def_value, parse_mode);
 }
 
-
 bool colvarparse::get_keyval(std::string const &conf,
                              char const *key,
                              bool &value,
                              bool const &def_value,
                              Parse_Mode const parse_mode)
 {
-  std::string data;
-  bool b_found = false, b_found_any = false;
-  size_t save_pos = 0, found_count = 0;
-
-  do {
-    std::string data_this = "";
-    b_found = key_lookup(conf, key, &data_this, &save_pos);
-    if (b_found) {
-      if (!b_found_any)
-        b_found_any = true;
-      found_count++;
-      data = data_this;
-    }
-  } while (b_found);
-
-  if (found_count > 1) {
-    cvm::error("Error: found more than one instance of \""+
-               std::string(key)+"\".\n", INPUT_ERROR);
-  }
-
-  if (data.size()) {
-    if ( (data == std::string("on")) ||
-         (data == std::string("yes")) ||
-         (data == std::string("true")) ) {
-      value = true;
-    } else if ( (data == std::string("off")) ||
-                (data == std::string("no")) ||
-                (data == std::string("false")) ) {
-      value = false;
-    } else
-      cvm::error("Error: boolean values only are allowed "
-                 "for \""+std::string(key)+"\".\n", INPUT_ERROR);
-    if (parse_mode != parse_silent) {
-      cvm::log("# "+std::string(key)+" = "+
-               (value ? "on" : "off")+"\n");
-    }
-  } else {
-
-    if (b_found_any) {
-      if (parse_mode != parse_silent) {
-        cvm::log("# "+std::string(key)+" = on\n");
-      }
-      value = true;
-    } else {
-      value = def_value;
-      if (parse_mode != parse_silent) {
-        cvm::log("# "+std::string(key)+" = "+
-                 (def_value ? "on" : "off")+" [default]\n");
-      }
-    }
-  }
-
-  return b_found_any;
+  return _get_keyval_scalar_<bool>(conf, key, value, def_value, parse_mode);
 }
 
 
@@ -440,15 +469,27 @@ bool colvarparse::get_keyval(std::string const &conf,
 
 void colvarparse::add_keyword(char const *key)
 {
-  for (std::list<std::string>::iterator ki = allowed_keywords.begin();
-       ki != allowed_keywords.end(); ki++) {
-    if (to_lower_cppstr(std::string(key)) == *ki)
-      return;
+  std::string const key_str_lower(to_lower_cppstr(std::string(key)));
+
+  if (key_set_modes.find(key_str_lower) != key_set_modes.end()) {
+    return;
+  }
+
+  key_set_modes[key_str_lower] = key_not_set;
+
+  allowed_keywords.push_back(key_str_lower);
+}
+
+
+bool colvarparse::key_already_set(std::string const &key_str)
+{
+  std::string const key_str_lower(to_lower_cppstr(key_str));
+
+  if (key_set_modes.find(key_str_lower) == key_set_modes.end()) {
+    return false;
   }
-  // not found in the list
-  //   if (cvm::debug())
-  //     cvm::log("Registering a new keyword, \""+std::string (key)+"\".\n");
-  allowed_keywords.push_back(to_lower_cppstr(std::string(key)));
+
+  return (key_set_modes[key_str_lower] > 0);
 }
 
 
@@ -457,6 +498,10 @@ void colvarparse::strip_values(std::string &conf)
   size_t offset = 0;
   data_begin_pos.sort();
   data_end_pos.sort();
+  std::list<size_t>::iterator data_begin_pos_last = std::unique(data_begin_pos.begin(), data_begin_pos.end());
+  data_begin_pos.erase(data_begin_pos_last, data_begin_pos.end());
+  std::list<size_t>::iterator data_end_pos_last = std::unique(data_end_pos.begin(), data_end_pos.end());
+  data_end_pos.erase(data_end_pos_last, data_end_pos.end());
 
   std::list<size_t>::iterator data_begin = data_begin_pos.begin();
   std::list<size_t>::iterator data_end   = data_end_pos.begin();
@@ -464,28 +509,16 @@ void colvarparse::strip_values(std::string &conf)
   for ( ; (data_begin != data_begin_pos.end()) &&
           (data_end   != data_end_pos.end()) ;
         data_begin++, data_end++) {
-
-    //     std::cerr << "data_begin, data_end "
-    //               << *data_begin << ", " << *data_end
-    //               << "\n";
-
     size_t const nchars = *data_end-*data_begin;
-
-    //     std::cerr << "conf[data_begin:data_end] = \""
-    //               << std::string (conf, *data_begin - offset, nchars)
-    //               << "\"\n";
-
     conf.erase(*data_begin - offset, nchars);
     offset += nchars;
-
-    //     std::cerr << ("Stripped config = \"\n"+conf+"\"\n");
-
   }
 }
 
 
 void colvarparse::clear_keyword_registry()
 {
+  key_set_modes.clear();
   allowed_keywords.clear();
   data_begin_pos.clear();
   data_end_pos.clear();
diff --git a/lib/colvars/colvarparse.h b/lib/colvars/colvarparse.h
index 28ad3c052bcefa70283ef30fa7e62ea834e957bd..8501ee8c14b2b541999f191b4465cd3167c43b86 100644
--- a/lib/colvars/colvarparse.h
+++ b/lib/colvars/colvarparse.h
@@ -12,6 +12,7 @@
 
 #include <cstring>
 #include <string>
+#include <map>
 
 #include "colvarmodule.h"
 #include "colvarvalue.h"
@@ -24,35 +25,9 @@
 /// need to parse input inherit from this
 class colvarparse {
 
-protected:
-
-  /// \brief List of legal keywords for this object: this is updated
-  /// by each call to colvarparse::get_keyval() or
-  /// colvarparse::key_lookup()
-  std::list<std::string> allowed_keywords;
-
-  /// \brief List of delimiters for the values of each keyword in the
-  /// configuration string; all keywords will be stripped of their
-  /// values before the keyword check is performed
-  std::list<size_t>      data_begin_pos;
-
-  /// \brief List of delimiters for the values of each keyword in the
-  /// configuration string; all keywords will be stripped of their
-  /// values before the keyword check is performed
-  std::list<size_t>      data_end_pos;
-
-  /// \brief Add a new valid keyword to the list
-  void add_keyword(char const *key);
-
-  /// \brief Remove all the values from the config string
-  void strip_values(std::string &conf);
-
-  /// \brief Configuration string of the object (includes comments)
-  std::string config_string;
-
 public:
 
-
+  /// Default constructor
   inline colvarparse()
   {
     init();
@@ -88,14 +63,23 @@ public:
 
   /// How a keyword is parsed in a string
   enum Parse_Mode {
-    /// \brief(default) Read the first instance of a keyword (if
-    /// any), report its value, and print a warning when there is more
-    /// than one
-    parse_normal,
-    /// \brief Like parse_normal, but don't send any message to the log
-    /// (useful e.g. in restart files when such messages are very
-    /// numerous and redundant)
-    parse_silent
+    /// Zero for all flags
+    parse_null = 0,
+    /// Print the value of a keyword if it is given
+    parse_echo = (1<<1),
+    /// Print the default value of a keyword, if it is NOT given
+    parse_echo_default = (1<<2),
+    /// Do not print the keyword
+    parse_silent = 0,
+    /// Raise error if the keyword is not provided
+    parse_required = (1<<16),
+    /// Successive calls to get_keyval() will override the previous values
+    /// when the keyword is not given any more
+    parse_override = (1<<17),
+    /// The call is being executed from a read_restart() function
+    parse_restart = (1<<18),
+    /// Alias for old default behavior (should be phased out)
+    parse_normal = (1<<2) | (1<<1) | (1<<17)
   };
 
   /// \brief Check that all the keywords within "conf" are in the list
@@ -146,6 +130,11 @@ public:
                   long &value,
                   long const &def_value = 0,
                   Parse_Mode const parse_mode = parse_normal);
+  bool get_keyval(std::string const &conf,
+                  char const *key,
+                  cvm::step_number &value,
+                  cvm::step_number const &def_value = 0,
+                  Parse_Mode const parse_mode = parse_normal);
   bool get_keyval(std::string const &conf,
                   char const *key,
                   std::string &value,
@@ -219,23 +208,57 @@ public:
 
 protected:
 
-  // Templates
-  template<typename TYPE> bool _get_keyval_scalar_(std::string const &conf,
-                                                   char const *key,
-                                                   TYPE &value,
-                                                   TYPE const &def_value,
-                                                   Parse_Mode const parse_mode);
-  bool _get_keyval_scalar_string_(std::string const &conf,
-                                  char const *key,
-                                  std::string &value,
-                                  std::string const &def_value,
-                                  Parse_Mode const parse_mode);
-
-  template<typename TYPE> bool _get_keyval_vector_(std::string const &conf,
-                                                   char const *key,
-                                                   std::vector<TYPE> &values,
-                                                   std::vector<TYPE> const &def_values,
-                                                   Parse_Mode const parse_mode);
+  /// Get the string value of a keyword, and save it for later parsing
+  bool get_key_string_value(std::string const &conf,
+                            char const *key, std::string &data);
+
+  /// Template for single-value keyword parsers
+  template<typename TYPE>
+  bool _get_keyval_scalar_(std::string const &conf,
+                           char const *key,
+                           TYPE &value,
+                           TYPE const &def_value,
+                           Parse_Mode const &parse_mode);
+
+  /// Template for multiple-value keyword parsers
+  template<typename TYPE>
+  bool _get_keyval_vector_(std::string const &conf,
+                           char const *key,
+                           std::vector<TYPE> &values,
+                           std::vector<TYPE> const &def_values,
+                           Parse_Mode const &parse_mode);
+
+  /// Extract the value of a variable from a string
+  template<typename TYPE>
+  int _get_keyval_scalar_value_(std::string const &key_str,
+                                std::string const &data,
+                                TYPE &value,
+                                TYPE const &def_value);
+
+  /// Handle the case where the user provides a keyword without value
+  template<typename TYPE>
+  int _get_keyval_scalar_novalue_(std::string const &key_str,
+                                  TYPE &value,
+                                  Parse_Mode const &parse_mode);
+
+  /// Record that the keyword has just been user-defined
+  template<typename TYPE>
+  void mark_key_set_user(std::string const &key_str,
+                         TYPE const &value,
+                         Parse_Mode const &parse_mode);
+
+  /// Record that the keyword has just been set to its default value
+  template<typename TYPE>
+  void mark_key_set_default(std::string const &key_str,
+                            TYPE const &def_value,
+                            Parse_Mode const &parse_mode);
+
+  /// Raise error condition due to the keyword being required!
+  void error_key_required(std::string const &key_str,
+                          Parse_Mode const &parse_mode);
+
+  /// True if the keyword has been set already
+  bool key_already_set(std::string const &key_str);
 
 public:
 
@@ -286,7 +309,7 @@ public:
                   size_t *save_pos = NULL);
 
   /// \brief Reads a configuration line, adds it to config_string, and returns
-  /// the stream \param is Input stream \param s String that will hold the
+  /// the stream \param is Input stream \param line String that will hold the
   /// configuration line, with comments stripped
   std::istream & read_config_line(std::istream &is, std::string &line);
 
@@ -299,7 +322,51 @@ public:
   /// from this position
   static int check_braces(std::string const &conf, size_t const start_pos);
 
+protected:
+
+  /// \brief List of legal keywords for this object: this is updated
+  /// by each call to colvarparse::get_keyval() or
+  /// colvarparse::key_lookup()
+  std::list<std::string> allowed_keywords;
+
+  /// How a keyword has been set
+  enum key_set_mode {
+    key_not_set = 0,
+    key_set_user = 1,
+    key_set_default = 2
+  };
+
+  /// Track which keywords have been already set, and how
+  std::map<std::string, key_set_mode> key_set_modes;
+
+  /// \brief List of delimiters for the values of each keyword in the
+  /// configuration string; all keywords will be stripped of their
+  /// values before the keyword check is performed
+  std::list<size_t>      data_begin_pos;
+
+  /// \brief List of delimiters for the values of each keyword in the
+  /// configuration string; all keywords will be stripped of their
+  /// values before the keyword check is performed
+  std::list<size_t>      data_end_pos;
+
+  /// \brief Add a new valid keyword to the list
+  void add_keyword(char const *key);
+
+  /// \brief Remove all the values from the config string
+  void strip_values(std::string &conf);
+
+  /// \brief Configuration string of the object (includes comments)
+  std::string config_string;
+
 };
 
 
+/// Bitwise OR between two Parse_mode flags
+inline colvarparse::Parse_Mode operator | (colvarparse::Parse_Mode const &mode1,
+                                           colvarparse::Parse_Mode const &mode2)
+{
+  return static_cast<colvarparse::Parse_Mode>(static_cast<int>(mode1) |
+                                              static_cast<int>(mode2));
+}
+
 #endif
diff --git a/lib/colvars/colvarproxy.cpp b/lib/colvars/colvarproxy.cpp
index da9257eee2dc699353bcacf0680f493c4c3ed39d..5f8e82d30aa454e1425a3e7c4642a51b76bc0adc 100644
--- a/lib/colvars/colvarproxy.cpp
+++ b/lib/colvars/colvarproxy.cpp
@@ -60,7 +60,7 @@ bool colvarproxy_system::total_forces_same_step() const
 
 inline int round_to_integer(cvm::real x)
 {
-  return std::floor(x+0.5);
+  return cvm::floor(x+0.5);
 }
 
 
@@ -129,7 +129,10 @@ cvm::rvector colvarproxy_system::position_distance(cvm::atom_pos const &pos1,
 
 
 
-colvarproxy_atoms::colvarproxy_atoms() {}
+colvarproxy_atoms::colvarproxy_atoms()
+{
+  updated_masses_ = updated_charges_ = false;
+}
 
 
 colvarproxy_atoms::~colvarproxy_atoms()
@@ -544,7 +547,7 @@ int colvarproxy_script::run_colvar_gradient_callback(
 
 colvarproxy_tcl::colvarproxy_tcl()
 {
-  _tcl_interp = NULL;
+  tcl_interp_ = NULL;
 }
 
 
@@ -573,7 +576,7 @@ char const *colvarproxy_tcl::tcl_obj_to_str(unsigned char *obj)
 int colvarproxy_tcl::tcl_run_force_callback()
 {
 #if defined(COLVARS_TCL)
-  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(_tcl_interp);
+  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(tcl_interp_);
   std::string cmd = std::string("calc_colvar_forces ")
     + cvm::to_str(cvm::step_absolute());
   int err = Tcl_Eval(tcl_interp, cmd.c_str());
@@ -596,7 +599,7 @@ int colvarproxy_tcl::tcl_run_colvar_callback(
 {
 #if defined(COLVARS_TCL)
 
-  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(_tcl_interp);
+  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(tcl_interp_);
   size_t i;
   std::string cmd = std::string("calc_") + name;
   for (i = 0; i < cvc_values.size(); i++) {
@@ -633,7 +636,7 @@ int colvarproxy_tcl::tcl_run_colvar_gradient_callback(
 {
 #if defined(COLVARS_TCL)
 
-  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(_tcl_interp);
+  Tcl_Interp *const tcl_interp = reinterpret_cast<Tcl_Interp *>(tcl_interp_);
   size_t i;
   std::string cmd = std::string("calc_") + name + "_gradient";
   for (i = 0; i < cvc_values.size(); i++) {
diff --git a/lib/colvars/colvarproxy.h b/lib/colvars/colvarproxy.h
index 3ff5f3c697796abe3365876f1fdc4e9ba375e91a..3bbdfe522e12e248b364dd73d0718e91bd7f827d 100644
--- a/lib/colvars/colvarproxy.h
+++ b/lib/colvars/colvarproxy.h
@@ -29,7 +29,7 @@
 ///
 /// To interface to a new MD engine, the simplest solution is to derive a new
 /// class from \link colvarproxy \endlink.  Currently implemented are: \link
-/// colvarproxy_lammps, \endlink, \link colvarproxy_namd, \endlink, \link
+/// colvarproxy_lammps \endlink, \link colvarproxy_namd \endlink, \link
 /// colvarproxy_vmd \endlink.
 
 
@@ -227,11 +227,15 @@ public:
 
   inline std::vector<cvm::real> *modify_atom_masses()
   {
+    // assume that we are requesting masses to change them
+    updated_masses_ = true;
     return &atoms_masses;
   }
 
   inline std::vector<cvm::real> *modify_atom_charges()
   {
+    // assume that we are requesting charges to change them
+    updated_charges_ = true;
     return &atoms_charges;
   }
 
@@ -250,6 +254,18 @@ public:
     return &atoms_new_colvar_forces;
   }
 
+  /// Record whether masses have been updated
+  inline bool updated_masses() const
+  {
+    return updated_masses_;
+  }
+
+  /// Record whether masses have been updated
+  inline bool updated_charges() const
+  {
+    return updated_charges_;
+  }
+
 protected:
 
   /// \brief Array of 0-based integers used to uniquely associate atoms
@@ -268,6 +284,9 @@ protected:
   /// \brief Forces applied from colvars, to be communicated to the MD integrator
   std::vector<cvm::rvector> atoms_new_colvar_forces;
 
+  /// Whether the masses and charges have been updated from the host code
+  bool updated_masses_, updated_charges_;
+
   /// Used by all init_atom() functions: create a slot for an atom not
   /// requested yet; returns the index in the arrays
   int add_atom_slot(int atom_id);
@@ -522,7 +541,7 @@ public:
 protected:
 
   /// Pointer to Tcl interpreter object
-  void *_tcl_interp;
+  void *tcl_interp_;
 
   /// Set Tcl pointers
   virtual void init_tcl_pointers();
diff --git a/lib/colvars/colvars_version.h b/lib/colvars/colvars_version.h
index bd84d077d7b44a86bda11f9d72acb8d0cfba20d0..2521fdf8723fda180e43d644a7f34206cad887a5 100644
--- a/lib/colvars/colvars_version.h
+++ b/lib/colvars/colvars_version.h
@@ -1,5 +1,5 @@
 #ifndef COLVARS_VERSION
-#define COLVARS_VERSION "2018-11-16"
+#define COLVARS_VERSION "2019-04-26"
 // This file is part of the Collective Variables module (Colvars).
 // The original version of Colvars and its updates are located at:
 // https://github.com/colvars/colvars
diff --git a/lib/colvars/colvarscript.cpp b/lib/colvars/colvarscript.cpp
index c9fe0497a9a8af6e110ef0f774348f4bac6a6836..1ad3283337fdb0fc52c45805643092032026bc38 100644
--- a/lib/colvars/colvarscript.cpp
+++ b/lib/colvars/colvarscript.cpp
@@ -137,6 +137,10 @@ int colvarscript::run(int objc, unsigned char *const objv[])
 
   if (cmd == "update") {
     error_code |= proxy->update_input();
+    if (error_code) {
+      result += "Error updating the Colvars module.\n";
+      return error_code;
+    }
     error_code |= colvars->calc();
     error_code |= proxy->update_output();
     if (error_code) {
@@ -273,6 +277,10 @@ int colvarscript::run(int objc, unsigned char *const objv[])
 
 int colvarscript::proc_colvar(colvar *cv, int objc, unsigned char *const objv[]) {
 
+  if (objc < 3) {
+    result = "Missing arguments";
+    return COLVARSCRIPT_ERROR;
+  }
   std::string const subcmd(obj_to_str(objv[2]));
 
   if (subcmd == "value") {
@@ -323,6 +331,47 @@ int colvarscript::proc_colvar(colvar *cv, int objc, unsigned char *const objv[])
     return COLVARS_OK;
   }
 
+  if (subcmd == "getatomgroups") {
+    std::vector<std::vector<int> > lists = cv->get_atom_lists();
+    std::vector<std::vector<int> >::iterator li = lists.begin();
+
+    for ( ; li != lists.end(); ++li) {
+      result += "{";
+      std::vector<int>::iterator lj = (*li).begin();
+      for ( ; lj != (*li).end(); ++lj) {
+        result += cvm::to_str(*lj);
+        result += " ";
+      }
+      result += "} ";
+    }
+    return COLVARS_OK;
+  }
+
+  if (subcmd == "getatomids") {
+    std::vector<int>::iterator li = cv->atom_ids.begin();
+
+    for ( ; li != cv->atom_ids.end(); ++li) {
+      result += cvm::to_str(*li);
+      result += " ";
+    }
+    return COLVARS_OK;
+  }
+
+  if (subcmd == "getgradients") {
+    std::vector<cvm::rvector>::iterator li = cv->atomic_gradients.begin();
+
+    for ( ; li != cv->atomic_gradients.end(); ++li) {
+      result += "{";
+      int j;
+      for (j = 0; j < 3; ++j) {
+        result += cvm::to_str((*li)[j]);
+        result += " ";
+      }
+      result += "} ";
+    }
+    return COLVARS_OK;
+  }
+
   if (subcmd == "getappliedforce") {
     result = (cv->applied_force()).to_simple_string();
     return COLVARS_OK;
@@ -410,6 +459,10 @@ int colvarscript::proc_colvar(colvar *cv, int objc, unsigned char *const objv[])
 
 int colvarscript::proc_bias(colvarbias *b, int objc, unsigned char *const objv[]) {
 
+  if (objc < 3) {
+    result = "Missing arguments";
+    return COLVARSCRIPT_ERROR;
+  }
   std::string const subcmd(obj_to_str(objv[2]));
 
   if (subcmd == "energy") {
diff --git a/lib/colvars/colvarscript.h b/lib/colvars/colvarscript.h
index 313dbd661bfba7b2e7b31ba695bb4d9c1be0595a..341cb1f72c2eb035a0e448165b1e6b3457206b63 100644
--- a/lib/colvars/colvarscript.h
+++ b/lib/colvars/colvarscript.h
@@ -191,8 +191,9 @@ inline static colvarbias *colvarbias_obj(void *pobj)
 
 #ifdef COLVARSCRIPT_CPP
 #define CVSCRIPT_COMM_FN(COMM,N_ARGS_MIN,N_ARGS_MAX,ARGS,FN_BODY)       \
-  int CVSCRIPT_COMM_FNAME(COMM)(void *pobj,                             \
-                                int objc, unsigned char *const objv[])  \
+  extern "C" int CVSCRIPT_COMM_FNAME(COMM)(void *pobj,                  \
+                                           int objc,                    \
+                                           unsigned char *const objv[]) \
   {                                                                     \
     colvarscript *script = colvarscript_obj();                          \
     script->clear_results();                                            \
diff --git a/lib/colvars/colvartypes.cpp b/lib/colvars/colvartypes.cpp
index 2b45d77e078478e755b76194d2f39851e0c3881c..b81a943eab7b0565e9ef28e5c7f88e1ea7c961bc 100644
--- a/lib/colvars/colvartypes.cpp
+++ b/lib/colvars/colvartypes.cpp
@@ -19,6 +19,8 @@ bool      colvarmodule::rotation::monitor_crossings = false;
 cvm::real colvarmodule::rotation::crossing_threshold = 1.0E-02;
 
 
+namespace  {
+
 /// Numerical recipes diagonalization
 static int jacobi(cvm::real **a, cvm::real *d, cvm::real **v, int *nrot);
 
@@ -28,6 +30,7 @@ static int eigsrt(cvm::real *d, cvm::real **v);
 /// Transpose the matrix
 static int transpose(cvm::real **v);
 
+}
 
 
 std::string cvm::rvector::to_simple_string() const
@@ -245,13 +248,11 @@ cvm::quaternion::position_derivative_inner(cvm::rvector const &pos,
 // Seok C, Dill KA.  Using quaternions to calculate RMSD.  J Comput
 // Chem. 25(15):1849-57 (2004) DOI: 10.1002/jcc.20110 PubMed: 15376254
 
-void colvarmodule::rotation::build_matrix(std::vector<cvm::atom_pos> const &pos1,
-                                          std::vector<cvm::atom_pos> const &pos2,
-                                          cvm::matrix2d<cvm::real>         &S)
+void colvarmodule::rotation::build_correlation_matrix(
+                                        std::vector<cvm::atom_pos> const &pos1,
+                                        std::vector<cvm::atom_pos> const &pos2)
 {
   // build the correlation matrix
-  C.resize(3, 3);
-  C.reset();
   size_t i;
   for (i = 0; i < pos1.size(); i++) {
     C.xx() += pos1[i].x * pos2[i].x;
@@ -264,7 +265,11 @@ void colvarmodule::rotation::build_matrix(std::vector<cvm::atom_pos> const &pos1
     C.zy() += pos1[i].z * pos2[i].y;
     C.zz() += pos1[i].z * pos2[i].z;
   }
+}
+
 
+void colvarmodule::rotation::compute_overlap_matrix()
+{
   // build the "overlap" matrix, whose eigenvectors are stationary
   // points of the RMSD in the space of rotations
   S[0][0] =    C.xx() + C.yy() + C.zz();
@@ -286,37 +291,38 @@ void colvarmodule::rotation::build_matrix(std::vector<cvm::atom_pos> const &pos1
 }
 
 
-void colvarmodule::rotation::diagonalize_matrix(cvm::matrix2d<cvm::real> &S,
-                                                cvm::vector1d<cvm::real> &S_eigval,
-                                                cvm::matrix2d<cvm::real> &S_eigvec)
+void colvarmodule::rotation::diagonalize_matrix(
+                                            cvm::matrix2d<cvm::real> &m,
+                                            cvm::vector1d<cvm::real> &eigval,
+                                            cvm::matrix2d<cvm::real> &eigvec)
 {
-  S_eigval.resize(4);
-  S_eigval.reset();
-  S_eigvec.resize(4,4);
-  S_eigvec.reset();
+  eigval.resize(4);
+  eigval.reset();
+  eigvec.resize(4, 4);
+  eigvec.reset();
 
   // diagonalize
   int jac_nrot = 0;
-  if (jacobi(S.c_array(), S_eigval.c_array(), S_eigvec.c_array(), &jac_nrot) !=
+  if (jacobi(m.c_array(), eigval.c_array(), eigvec.c_array(), &jac_nrot) !=
       COLVARS_OK) {
     cvm::error("Too many iterations in routine jacobi.\n"
                "This is usually the result of an ill-defined set of atoms for "
                "rotational alignment (RMSD, rotateReference, etc).\n");
   }
-  eigsrt(S_eigval.c_array(), S_eigvec.c_array());
+  eigsrt(eigval.c_array(), eigvec.c_array());
   // jacobi saves eigenvectors by columns
-  transpose(S_eigvec.c_array());
+  transpose(eigvec.c_array());
 
   // normalize eigenvectors
   for (size_t ie = 0; ie < 4; ie++) {
     cvm::real norm2 = 0.0;
     size_t i;
     for (i = 0; i < 4; i++) {
-      norm2 += S_eigvec[ie][i] * S_eigvec[ie][i];
+      norm2 += eigvec[ie][i] * eigvec[ie][i];
     }
-    cvm::real const norm = std::sqrt(norm2);
+    cvm::real const norm = cvm::sqrt(norm2);
     for (i = 0; i < 4; i++) {
-      S_eigvec[ie][i] /= norm;
+      eigvec[ie][i] /= norm;
     }
   }
 }
@@ -324,23 +330,26 @@ void colvarmodule::rotation::diagonalize_matrix(cvm::matrix2d<cvm::real> &S,
 
 // Calculate the rotation, plus its derivatives
 
-void colvarmodule::rotation::calc_optimal_rotation(std::vector<cvm::atom_pos> const &pos1,
-                                                   std::vector<cvm::atom_pos> const &pos2)
+void colvarmodule::rotation::calc_optimal_rotation(
+                                        std::vector<cvm::atom_pos> const &pos1,
+                                        std::vector<cvm::atom_pos> const &pos2)
 {
-  S.resize(4,4);
-  S.reset();
+  C.resize(3, 3);
+  C.reset();
+  build_correlation_matrix(pos1, pos2);
 
-  build_matrix(pos1, pos2, S);
+  S.resize(4, 4);
+  S.reset();
+  compute_overlap_matrix();
 
-  S_backup.resize(4,4);
+  S_backup.resize(4, 4);
   S_backup = S;
 
   if (b_debug_gradients) {
-    cvm::log("S     = "+cvm::to_str(cvm::to_str(S_backup), cvm::cv_width, cvm::cv_prec)+"\n");
+    cvm::log("S     = "+cvm::to_str(S_backup, cvm::cv_width, cvm::cv_prec)+"\n");
   }
 
   diagonalize_matrix(S, S_eigval, S_eigvec);
-
   // eigenvalues and eigenvectors
   cvm::real const L0 = S_eigval[0];
   cvm::real const L1 = S_eigval[1];
@@ -524,7 +533,7 @@ void colvarmodule::rotation::calc_optimal_rotation(std::vector<cvm::atom_pos> co
                                   dq0_2[3][comp] * colvarmodule::debug_gradients_step_size);
 
         cvm::log(  "|(l_0+dl_0) - l_0^new|/l_0 = "+
-                   cvm::to_str(std::fabs(L0+DL0 - L0_new)/L0, cvm::cv_width, cvm::cv_prec)+
+                   cvm::to_str(cvm::fabs(L0+DL0 - L0_new)/L0, cvm::cv_width, cvm::cv_prec)+
                    ", |(q_0+dq_0) - q_0^new| = "+
                    cvm::to_str((Q0+DQ0 - Q0_new).norm(), cvm::cv_width, cvm::cv_prec)+
                    "\n");
@@ -544,6 +553,9 @@ void colvarmodule::rotation::calc_optimal_rotation(std::vector<cvm::atom_pos> co
 
 #define n 4
 
+
+namespace {
+
 int jacobi(cvm::real **a, cvm::real *d, cvm::real **v, int *nrot)
 {
   int j,iq,ip,i;
@@ -567,7 +579,7 @@ int jacobi(cvm::real **a, cvm::real *d, cvm::real **v, int *nrot)
     sm=0.0;
     for (ip=0;ip<n-1;ip++) {
       for (iq=ip+1;iq<n;iq++)
-        sm += std::fabs(a[ip][iq]);
+        sm += cvm::fabs(a[ip][iq]);
     }
     if (sm == 0.0) {
       return COLVARS_OK;
@@ -578,20 +590,20 @@ int jacobi(cvm::real **a, cvm::real *d, cvm::real **v, int *nrot)
       tresh=0.0;
     for (ip=0;ip<n-1;ip++) {
       for (iq=ip+1;iq<n;iq++) {
-        g=100.0*std::fabs(a[ip][iq]);
-        if (i > 4 && (cvm::real)(std::fabs(d[ip])+g) == (cvm::real)std::fabs(d[ip])
-            && (cvm::real)(std::fabs(d[iq])+g) == (cvm::real)std::fabs(d[iq]))
+        g=100.0*cvm::fabs(a[ip][iq]);
+        if (i > 4 && (cvm::real)(cvm::fabs(d[ip])+g) == (cvm::real)cvm::fabs(d[ip])
+            && (cvm::real)(cvm::fabs(d[iq])+g) == (cvm::real)cvm::fabs(d[iq]))
           a[ip][iq]=0.0;
-        else if (std::fabs(a[ip][iq]) > tresh) {
+        else if (cvm::fabs(a[ip][iq]) > tresh) {
           h=d[iq]-d[ip];
-          if ((cvm::real)(std::fabs(h)+g) == (cvm::real)std::fabs(h))
+          if ((cvm::real)(cvm::fabs(h)+g) == (cvm::real)cvm::fabs(h))
             t=(a[ip][iq])/h;
           else {
             theta=0.5*h/(a[ip][iq]);
-            t=1.0/(std::fabs(theta)+std::sqrt(1.0+theta*theta));
+            t=1.0/(cvm::fabs(theta)+cvm::sqrt(1.0+theta*theta));
             if (theta < 0.0) t = -t;
           }
-          c=1.0/std::sqrt(1+t*t);
+          c=1.0/cvm::sqrt(1+t*t);
           s=t*c;
           tau=s/(1.0+c);
           h=t*a[ip][iq];
@@ -663,5 +675,7 @@ int transpose(cvm::real **v)
   return COLVARS_OK;
 }
 
+}
+
 #undef n
 #undef ROTATE
diff --git a/lib/colvars/colvartypes.h b/lib/colvars/colvartypes.h
index 4ef9557dcbf400c2e7adfc846207874632b134ac..9973d92e98292a35f2978e96c39c58d8b09257e1 100644
--- a/lib/colvars/colvartypes.h
+++ b/lib/colvars/colvartypes.h
@@ -10,7 +10,6 @@
 #ifndef COLVARTYPES_H
 #define COLVARTYPES_H
 
-#include <cmath>
 #include <vector>
 
 #include "colvarmodule.h"
@@ -220,7 +219,7 @@ public:
 
   inline cvm::real norm() const
   {
-    return std::sqrt(this->norm2());
+    return cvm::sqrt(this->norm2());
   }
 
   inline cvm::real sum() const
@@ -801,7 +800,7 @@ public:
 
   inline cvm::real norm() const
   {
-    return std::sqrt(this->norm2());
+    return cvm::sqrt(this->norm2());
   }
 
   inline cvm::rvector unit() const
@@ -1008,17 +1007,17 @@ public:
                                     cvm::real theta_in,
                                     cvm::real psi_in)
   {
-    q0 = ( (std::cos(phi_in/2.0)) * (std::cos(theta_in/2.0)) * (std::cos(psi_in/2.0)) +
-           (std::sin(phi_in/2.0)) * (std::sin(theta_in/2.0)) * (std::sin(psi_in/2.0)) );
+    q0 = ( (cvm::cos(phi_in/2.0)) * (cvm::cos(theta_in/2.0)) * (cvm::cos(psi_in/2.0)) +
+           (cvm::sin(phi_in/2.0)) * (cvm::sin(theta_in/2.0)) * (cvm::sin(psi_in/2.0)) );
 
-    q1 = ( (std::sin(phi_in/2.0)) * (std::cos(theta_in/2.0)) * (std::cos(psi_in/2.0)) -
-           (std::cos(phi_in/2.0)) * (std::sin(theta_in/2.0)) * (std::sin(psi_in/2.0)) );
+    q1 = ( (cvm::sin(phi_in/2.0)) * (cvm::cos(theta_in/2.0)) * (cvm::cos(psi_in/2.0)) -
+           (cvm::cos(phi_in/2.0)) * (cvm::sin(theta_in/2.0)) * (cvm::sin(psi_in/2.0)) );
 
-    q2 = ( (std::cos(phi_in/2.0)) * (std::sin(theta_in/2.0)) * (std::cos(psi_in/2.0)) +
-           (std::sin(phi_in/2.0)) * (std::cos(theta_in/2.0)) * (std::sin(psi_in/2.0)) );
+    q2 = ( (cvm::cos(phi_in/2.0)) * (cvm::sin(theta_in/2.0)) * (cvm::cos(psi_in/2.0)) +
+           (cvm::sin(phi_in/2.0)) * (cvm::cos(theta_in/2.0)) * (cvm::sin(psi_in/2.0)) );
 
-    q3 = ( (std::cos(phi_in/2.0)) * (std::cos(theta_in/2.0)) * (std::sin(psi_in/2.0)) -
-           (std::sin(phi_in/2.0)) * (std::sin(theta_in/2.0)) * (std::cos(psi_in/2.0)) );
+    q3 = ( (cvm::cos(phi_in/2.0)) * (cvm::cos(theta_in/2.0)) * (cvm::sin(psi_in/2.0)) -
+           (cvm::sin(phi_in/2.0)) * (cvm::sin(theta_in/2.0)) * (cvm::cos(psi_in/2.0)) );
   }
 
   /// \brief Default constructor
@@ -1115,7 +1114,7 @@ public:
   /// Norm of the quaternion
   inline cvm::real norm() const
   {
-    return std::sqrt(this->norm2());
+    return cvm::sqrt(this->norm2());
   }
 
   /// Return the conjugate quaternion
@@ -1177,7 +1176,7 @@ public:
   }
 
   /// \brief Provides the quaternion product.  \b NOTE: for the inner
-  /// product use: \code h.inner (q); \endcode
+  /// product use: `h.inner (q);`
   friend inline cvm::quaternion operator * (cvm::quaternion const &h,
                                             cvm::quaternion const &q)
   {
@@ -1263,7 +1262,7 @@ public:
     cvm::real const cos_omega = this->q0*Q2.q0 + this->q1*Q2.q1 +
       this->q2*Q2.q2 + this->q3*Q2.q3;
 
-    cvm::real const omega = std::acos( (cos_omega > 1.0) ? 1.0 :
+    cvm::real const omega = cvm::acos( (cos_omega > 1.0) ? 1.0 :
                                        ( (cos_omega < -1.0) ? -1.0 : cos_omega) );
 
     // get the minimum distance: x and -x are the same quaternion
@@ -1278,11 +1277,11 @@ public:
   inline cvm::quaternion dist2_grad(cvm::quaternion const &Q2) const
   {
     cvm::real const cos_omega = this->q0*Q2.q0 + this->q1*Q2.q1 + this->q2*Q2.q2 + this->q3*Q2.q3;
-    cvm::real const omega = std::acos( (cos_omega > 1.0) ? 1.0 :
+    cvm::real const omega = cvm::acos( (cos_omega > 1.0) ? 1.0 :
                                        ( (cos_omega < -1.0) ? -1.0 : cos_omega) );
-    cvm::real const sin_omega = std::sin(omega);
+    cvm::real const sin_omega = cvm::sin(omega);
 
-    if (std::fabs(sin_omega) < 1.0E-14) {
+    if (cvm::fabs(sin_omega) < 1.0E-14) {
       // return a null 4d vector
       return cvm::quaternion(0.0, 0.0, 0.0, 0.0);
     }
@@ -1338,14 +1337,16 @@ public:
   /// \brief Perform gradient tests
   bool b_debug_gradients;
 
-  /// \brief Positions to superimpose: the rotation should brings pos1
-  /// into pos2
-  std::vector<cvm::atom_pos> pos1, pos2;
-
+  /// Correlation matrix C (3, 3)
   cvm::rmatrix C;
 
+  /// Overlap matrix S (4, 4)
   cvm::matrix2d<cvm::real> S;
+
+  /// Eigenvalues of S
   cvm::vector1d<cvm::real> S_eigval;
+
+  /// Eigenvectors of S
   cvm::matrix2d<cvm::real> S_eigvec;
 
   /// Used for debugging gradients
@@ -1404,8 +1405,8 @@ public:
     : b_debug_gradients(false)
   {
     cvm::rvector const axis_n = axis.unit();
-    cvm::real const sina = std::sin(angle/2.0);
-    q = cvm::quaternion(std::cos(angle/2.0),
+    cvm::real const sina = cvm::sin(angle/2.0);
+    q = cvm::quaternion(cvm::cos(angle/2.0),
                         sina * axis_n.x, sina * axis_n.y, sina * axis_n.z);
   }
 
@@ -1437,7 +1438,7 @@ public:
   inline cvm::real spin_angle(cvm::rvector const &axis) const
   {
     cvm::rvector const q_vec = q.get_vector();
-    cvm::real alpha = (180.0/PI) * 2.0 * std::atan2(axis * q_vec, q.q0);
+    cvm::real alpha = (180.0/PI) * 2.0 * cvm::atan2(axis * q_vec, q.q0);
     while (alpha >  180.0) alpha -= 360;
     while (alpha < -180.0) alpha += 360;
     return alpha;
@@ -1473,9 +1474,9 @@ public:
   {
     cvm::rvector const q_vec = q.get_vector();
     cvm::real const alpha =
-      (180.0/PI) * 2.0 * std::atan2(axis * q_vec, q.q0);
+      (180.0/PI) * 2.0 * cvm::atan2(axis * q_vec, q.q0);
 
-    cvm::real const cos_spin_2 = std::cos(alpha * (PI/180.0) * 0.5);
+    cvm::real const cos_spin_2 = cvm::cos(alpha * (PI/180.0) * 0.5);
     cvm::real const cos_theta_2 = ( (cos_spin_2 != 0.0) ?
                                     (q.q0 / cos_spin_2) :
                                     (0.0) );
@@ -1489,7 +1490,7 @@ public:
     cvm::rvector const q_vec = q.get_vector();
     cvm::real const iprod = axis * q_vec;
 
-    cvm::real const cos_spin_2 = std::cos(std::atan2(iprod, q.q0));
+    cvm::real const cos_spin_2 = cvm::cos(cvm::atan2(iprod, q.q0));
 
     if (q.q0 != 0.0)  {
 
@@ -1529,15 +1530,17 @@ protected:
   /// eigenvalue crossing)
   cvm::quaternion q_old;
 
-  /// Build the overlap matrix S (used by calc_optimal_rotation())
-  void build_matrix(std::vector<cvm::atom_pos> const &pos1,
-                    std::vector<cvm::atom_pos> const &pos2,
-                    cvm::matrix2d<cvm::real>         &S);
+  /// Build the correlation matrix C (used by calc_optimal_rotation())
+  void build_correlation_matrix(std::vector<cvm::atom_pos> const &pos1,
+                                std::vector<cvm::atom_pos> const &pos2);
+
+  /// Compute the overlap matrix S (used by calc_optimal_rotation())
+  void compute_overlap_matrix();
 
-  /// Diagonalize the overlap matrix S (used by calc_optimal_rotation())
-  void diagonalize_matrix(cvm::matrix2d<cvm::real> &S,
-                          cvm::vector1d<cvm::real> &S_eigval,
-                          cvm::matrix2d<cvm::real> &S_eigvec);
+  /// Diagonalize a given matrix m (used by calc_optimal_rotation())
+  static void diagonalize_matrix(cvm::matrix2d<cvm::real> &m,
+                                 cvm::vector1d<cvm::real> &eigval,
+                                 cvm::matrix2d<cvm::real> &eigvec);
 };
 
 
diff --git a/lib/colvars/colvarvalue.cpp b/lib/colvars/colvarvalue.cpp
index 86b99ed3d63445bcb8070c1f2177a5f00567a69f..accc5defec818d52c1a129449088b73283bce7ee 100644
--- a/lib/colvars/colvarvalue.cpp
+++ b/lib/colvars/colvarvalue.cpp
@@ -144,10 +144,10 @@ void colvarvalue::apply_constraints()
   case colvarvalue::type_quaternionderiv:
     break;
   case colvarvalue::type_unit3vector:
-    rvector_value /= std::sqrt(rvector_value.norm2());
+    rvector_value /= cvm::sqrt(rvector_value.norm2());
     break;
   case colvarvalue::type_quaternion:
-    quaternion_value /= std::sqrt(quaternion_value.norm2());
+    quaternion_value /= cvm::sqrt(quaternion_value.norm2());
     break;
   case colvarvalue::type_vector:
     if (elem_types.size() > 0) {
@@ -579,7 +579,7 @@ colvarvalue colvarvalue::dist2_grad(colvarvalue const &x2) const
       cvm::rvector const &v1 = this->rvector_value;
       cvm::rvector const &v2 = x2.rvector_value;
       cvm::real const cos_t = v1 * v2;
-      cvm::real const sin_t = std::sqrt(1.0 - cos_t*cos_t);
+      cvm::real const sin_t = cvm::sqrt(1.0 - cos_t*cos_t);
       return colvarvalue( 2.0 * sin_t *
                           cvm::rvector((-1.0) * sin_t * v2.x +
                                        cos_t/sin_t * (v1.x - cos_t*v2.x),
@@ -630,7 +630,7 @@ colvarvalue const colvarvalue::interpolate(colvarvalue const &x1,
     break;
   case colvarvalue::type_unit3vector:
   case colvarvalue::type_quaternion:
-    if (interp.norm()/std::sqrt(d2) < 1.0e-6) {
+    if (interp.norm()/cvm::sqrt(d2) < 1.0e-6) {
       cvm::error("Error: interpolation between "+cvm::to_str(x1)+" and "+
                  cvm::to_str(x2)+" with lambda = "+cvm::to_str(lambda)+
                  " is undefined: result = "+cvm::to_str(interp)+"\n",
diff --git a/lib/colvars/colvarvalue.h b/lib/colvars/colvarvalue.h
index 25255e2f7c8aff24a216e685c810a4f92a527cc8..29b535a1a8107f8c43848f7f4cdd54c5830d9040 100644
--- a/lib/colvars/colvarvalue.h
+++ b/lib/colvars/colvarvalue.h
@@ -17,22 +17,22 @@
 /// \brief Value of a collective variable: this is a metatype which
 /// can be set at runtime.  By default it is set to be a scalar
 /// number, and can be treated as such in all operations (this is
-/// done by most \link cvc \endlink implementations).
+/// done by most \link colvar::cvc \endlink implementations).
 ///
 /// \link colvarvalue \endlink allows \link colvar \endlink to be
 /// treat different data types.  By default, a \link colvarvalue
 /// \endlink variable is a scalar number.  To use it as
 /// another type, declare and initialize it as
-/// \code colvarvalue x(colvarvalue::type_xxx)\endcode, use \link x.type
-/// (colvarvalue::type_xxx) \endlink at a later stage, or if unset,
-///  assign the type with \code x = y; \endcode, provided y is correctly set.
+/// `colvarvalue x(colvarvalue::type_xxx)`, use `x.type (colvarvalue::type_xxx)`
+///  at a later stage, or if unset,
+///  assign the type with `x = y;`, provided y is correctly set.
 ///
 /// All operators (either unary or binary) on a \link
 /// colvarvalue \endlink object performs one or more checks on the
 /// \link Type \endlink, except when reading from a stream, when there is no way to
-/// detect the \link Type \endlink.  To use  \code is >> x; \endcode x \b MUST
+/// detect the \link Type \endlink.  To use  `is >> x;` x \b MUST
 /// already have a type correcly set up for properly parsing the
-/// stream. No problem of course with the output streams: \code os << x; \endcode
+/// stream. No problem of course with the output streams: `os << x;`
 ///
 /// \em Note \em on \em performance: to avoid type checks in a long array of \link
 /// colvarvalue \endlink objects, use one of the existing "_opt" functions or implement a new one
@@ -159,7 +159,7 @@ public:
   /// \brief If the variable has constraints (e.g. unitvector or
   /// quaternion), transform it to satisfy them; this function needs
   /// to be called only when the \link colvarvalue \endlink
-  /// is calculated outside of \link cvc \endlink objects
+  /// is calculated outside of \link colvar::cvc \endlink objects
   void apply_constraints();
 
   /// Get the current type
@@ -184,7 +184,7 @@ public:
   /// Norm of this colvarvalue
   inline cvm::real norm() const
   {
-    return std::sqrt(this->norm2());
+    return cvm::sqrt(this->norm2());
   }
 
   /// Sum of the components of this colvarvalue (if more than one dimension)
@@ -728,7 +728,7 @@ inline cvm::real colvarvalue::dist2(colvarvalue const &x2) const
   case colvarvalue::type_unit3vector:
   case colvarvalue::type_unit3vectorderiv:
     // angle between (*this) and x2 is the distance
-    return std::acos(this->rvector_value * x2.rvector_value) * std::acos(this->rvector_value * x2.rvector_value);
+    return cvm::acos(this->rvector_value * x2.rvector_value) * cvm::acos(this->rvector_value * x2.rvector_value);
   case colvarvalue::type_quaternion:
   case colvarvalue::type_quaternionderiv:
     // angle between (*this) and x2 is the distance, the quaternion
diff --git a/lib/gpu/lal_base_atomic.cpp b/lib/gpu/lal_base_atomic.cpp
index e59dae1a6fa5d72707f6333ac36579c756f0f5d0..da54f1dca39d250f90a64533374edbb4be78b0af 100644
--- a/lib/gpu/lal_base_atomic.cpp
+++ b/lib/gpu/lal_base_atomic.cpp
@@ -64,9 +64,12 @@ int BaseAtomicT::init_atomic(const int nlocal, const int nall,
   } else
     _nbor_data=&(nbor->dev_nbor);
 
-  int success=device->init(*ans,false,false,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,false,
-                           _threads_per_atom);
+  int success=device->init(*ans,false,false,nlocal,nall,maxspecial);
+  if (success!=0)
+    return success;
+
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
   if (success!=0)
     return success;
 
diff --git a/lib/gpu/lal_base_charge.cpp b/lib/gpu/lal_base_charge.cpp
index c6341f7d57d87770227c4d920d63540d3e455706..a3ec710baaad668b56ebfe8f7c86fa17c57d4fcc 100644
--- a/lib/gpu/lal_base_charge.cpp
+++ b/lib/gpu/lal_base_charge.cpp
@@ -65,9 +65,12 @@ int BaseChargeT::init_atomic(const int nlocal, const int nall,
   } else
     _nbor_data=&(nbor->dev_nbor);
 
-  int success=device->init(*ans,true,false,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,false,
-                           _threads_per_atom);
+  int success=device->init(*ans,true,false,nlocal,nall,maxspecial);
+  if (success!=0)
+    return success;
+
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
   if (success!=0)
     return success;
 
diff --git a/lib/gpu/lal_base_dipole.cpp b/lib/gpu/lal_base_dipole.cpp
index 478f0092c76329e60025487c41323db0bcef3173..9fc7e1b2355dada4b74d35a838497ec5816036b6 100644
--- a/lib/gpu/lal_base_dipole.cpp
+++ b/lib/gpu/lal_base_dipole.cpp
@@ -66,9 +66,12 @@ int BaseDipoleT::init_atomic(const int nlocal, const int nall,
   } else
     _nbor_data=&(nbor->dev_nbor);
 
-  int success=device->init(*ans,true,true,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,false,
-                           _threads_per_atom);
+  int success=device->init(*ans,true,true,nlocal,nall,maxspecial);
+  if (success!=0)
+    return success;
+
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
   if (success!=0)
     return success;
 
diff --git a/lib/gpu/lal_base_dpd.cpp b/lib/gpu/lal_base_dpd.cpp
index 941f463b1467e544f4b046dd133e13c86c38ebc5..eb5c2088a6604c39c4cd63a614f01ad4b678fbd0 100644
--- a/lib/gpu/lal_base_dpd.cpp
+++ b/lib/gpu/lal_base_dpd.cpp
@@ -65,9 +65,13 @@ int BaseDPDT::init_atomic(const int nlocal, const int nall,
   } else
     _nbor_data=&(nbor->dev_nbor);
 
-  int success=device->init(*ans,false,false,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,false,
-                           _threads_per_atom,true);
+  int success=device->init(*ans,false,false,nlocal,nall,maxspecial,true);
+  if (success!=0)
+    return success;
+
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
+
   if (success!=0)
     return success;
 
diff --git a/lib/gpu/lal_base_ellipsoid.cpp b/lib/gpu/lal_base_ellipsoid.cpp
index 8918a3140cb7b1d62b59866c6637fee6cfbce369..eea5344e33c3ea7bcdf112a183bff9dc1cd2f628 100644
--- a/lib/gpu/lal_base_ellipsoid.cpp
+++ b/lib/gpu/lal_base_ellipsoid.cpp
@@ -71,12 +71,15 @@ int BaseEllipsoidT::init_base(const int nlocal, const int nall,
 
   _threads_per_atom=device->threads_per_atom();
 
-  int success=device->init(*ans,false,true,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,true,
-                           1);
+  int success=device->init(*ans,false,true,nlocal,nall,maxspecial);
   if (success!=0)
     return success;
 
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,true,1);
+  if (success!=0)
+    return success;
+  
   ucl_device=device->gpu;
   atom=&device->atom;
 
diff --git a/lib/gpu/lal_base_three.cpp b/lib/gpu/lal_base_three.cpp
index aa77a48c662ac07c7b105f30e0097f15574c4eaa..0510b84d92009e5541542aabe39cb3a344c31da8 100644
--- a/lib/gpu/lal_base_three.cpp
+++ b/lib/gpu/lal_base_three.cpp
@@ -78,9 +78,12 @@ int BaseThreeT::init_three(const int nlocal, const int nall,
   if (_threads_per_atom*_threads_per_atom>device->warp_size())
     return -10;
 
-  int success=device->init(*ans,false,false,nlocal,host_nlocal,nall,nbor,
-                           maxspecial,_gpu_host,max_nbors,cell_size,false,
-                           _threads_per_atom);
+  int success=device->init(*ans,false,false,nlocal,nall,maxspecial);
+  if (success!=0)
+    return success;
+
+  success = device->init_nbor(nbor,nlocal,host_nlocal,nall,maxspecial,_gpu_host,
+                  max_nbors,cell_size,false,_threads_per_atom);
   if (success!=0)
     return success;
 
diff --git a/lib/gpu/lal_device.cpp b/lib/gpu/lal_device.cpp
index 6b4d0ab2a504e404a72af7bf35d3bc436f9fdd8a..9410cc52504ce458bad91cd1cc2e7234599bf00d 100644
--- a/lib/gpu/lal_device.cpp
+++ b/lib/gpu/lal_device.cpp
@@ -17,6 +17,7 @@
 #include "lal_precision.h"
 #include <map>
 #include <cmath>
+#include <cstdlib>
 #ifdef _OPENMP
 #include <omp.h>
 #endif
@@ -237,7 +238,7 @@ int DeviceT::set_ocl_params(char *ocl_vendor) {
                         " -DBLOCK_CELL_ID="+params[11]+
                         " -DMAX_BIO_SHARED_TYPES="+params[12];
   }
-  _ocl_compile_string="-cl-fast-relaxed-math -cl-mad-enable "+std::string(OCL_INT_TYPE)+" "+
+  _ocl_compile_string="-cl-std=CL1.2 -cl-fast-relaxed-math -cl-mad-enable "+std::string(OCL_INT_TYPE)+" "+
                       std::string(OCL_PRECISION_COMPILE)+" "+_ocl_vendor_string;
   #endif
   return 0;
@@ -246,11 +247,8 @@ int DeviceT::set_ocl_params(char *ocl_vendor) {
 template <class numtyp, class acctyp>
 int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
                   const bool rot, const int nlocal,
-                  const int host_nlocal, const int nall,
-                  Neighbor *nbor, const int maxspecial,
-                  const int gpu_host, const int max_nbors,
-                  const double cell_size, const bool pre_cut,
-                  const int threads_per_atom, const bool vel) {
+                  const int nall, const int maxspecial,
+                  const bool vel) {
   if (!_device_init)
     return -1;
   if (sizeof(acctyp)==sizeof(double) && gpu->double_precision()==false)
@@ -301,16 +299,6 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
   if (!ans.init(ef_nlocal,charge,rot,*gpu))
     return -3;
 
-  if (!nbor->init(&_neighbor_shared,ef_nlocal,host_nlocal,max_nbors,maxspecial,
-                  *gpu,gpu_nbor,gpu_host,pre_cut, _block_cell_2d,
-                  _block_cell_id, _block_nbor_build, threads_per_atom,
-                  _warp_size, _time_device, compile_string()))
-    return -3;
-  if (_cell_size<0.0)
-    nbor->cell_size(cell_size,cell_size);
-  else
-    nbor->cell_size(_cell_size,cell_size);
-
   _init_count++;
   return 0;
 }
@@ -338,6 +326,39 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const int nlocal,
   return 0;
 }
 
+template <class numtyp, class acctyp>
+int DeviceT::init_nbor(Neighbor *nbor, const int nlocal,
+                  const int host_nlocal, const int nall,
+                  const int maxspecial, const int gpu_host,
+                  const int max_nbors, const double cell_size,
+                  const bool pre_cut, const int threads_per_atom) {
+  int ef_nlocal=nlocal;
+  if (_particle_split<1.0 && _particle_split>0.0)
+    ef_nlocal=static_cast<int>(_particle_split*nlocal);
+ 
+  int gpu_nbor=0;
+  if (_gpu_mode==Device<numtyp,acctyp>::GPU_NEIGH)
+    gpu_nbor=1;
+  else if (_gpu_mode==Device<numtyp,acctyp>::GPU_HYB_NEIGH)
+    gpu_nbor=2;
+  #ifndef USE_CUDPP
+  if (gpu_nbor==1)
+    gpu_nbor=2;
+  #endif
+
+  if (!nbor->init(&_neighbor_shared,ef_nlocal,host_nlocal,max_nbors,maxspecial,
+                  *gpu,gpu_nbor,gpu_host,pre_cut,_block_cell_2d,
+                  _block_cell_id, _block_nbor_build, threads_per_atom,
+                  _warp_size, _time_device, compile_string()))
+    return -3;
+  if (_cell_size<0.0)
+    nbor->cell_size(cell_size,cell_size);
+  else
+    nbor->cell_size(_cell_size,cell_size);
+
+  return 0;
+}
+
 template <class numtyp, class acctyp>
 void DeviceT::set_single_precompute
                      (PPPM<numtyp,acctyp,float,_lgpu_float4> *pppm) {
@@ -614,7 +635,7 @@ void DeviceT::output_kspace_times(UCL_Timer &time_in,
     if (screen && times[6]>0.0) {
       fprintf(screen,"\n\n-------------------------------------");
       fprintf(screen,"--------------------------------\n");
-      fprintf(screen,"    Device Time Info (average): ");
+      fprintf(screen,"    Device Time Info (average) for kspace: ");
       fprintf(screen,"\n-------------------------------------");
       fprintf(screen,"--------------------------------\n");
 
diff --git a/lib/gpu/lal_device.h b/lib/gpu/lal_device.h
index 695b0a62f9236f9f4e16119391ce05c6eafbf8e8..0c4d5f8c439b68e70a29e8b2ec14c571d321aeea 100644
--- a/lib/gpu/lal_device.h
+++ b/lib/gpu/lal_device.h
@@ -53,19 +53,13 @@ class Device {
                   const int t_per_atom, const double cell_size,
                   char *vendor_string, const int block_pair);
 
-  /// Initialize the device for Atom and Neighbor storage
-  /** \param rot True if quaternions need to be stored
+  /// Initialize the device for Atom storage
+  /** \param charge True if charges need to be stored 
+    * \param rot True if quaternions need to be stored
     * \param nlocal Total number of local particles to allocate memory for
-    * \param host_nlocal Initial number of host particles to allocate memory for
     * \param nall Total number of local+ghost particles
-    * \param gpu_host 0 if host will not perform force calculations,
-    *                 1 if gpu_nbor is true, and host needs a half nbor list,
-    *                 2 if gpu_nbor is true, and host needs a full nbor list
-    * \param max_nbors Initial number of rows in the neighbor matrix
-    * \param cell_size cutoff+skin
-    * \param pre_cut True if cutoff test will be performed in separate kernel
-    *                than the force kernel
-    * \param threads_per_atom value to be used by the neighbor list only
+    * \param maxspecial Maximum mumber of special bonded atoms per atom
+    * \param vel True if velocities need to be stored
     *
     * Returns:
     * -  0 if successfull
@@ -73,11 +67,9 @@ class Device {
     * - -3 if there is an out of memory error
     * - -4 if the GPU library was not compiled for GPU
     * - -5 Double precision is not supported on card **/
-  int init(Answer<numtyp,acctyp> &a, const bool charge, const bool rot,
-           const int nlocal, const int host_nlocal, const int nall,
-           Neighbor *nbor, const int maxspecial, const int gpu_host,
-           const int max_nbors, const double cell_size, const bool pre_cut,
-           const int threads_per_atom, const bool vel=false);
+  int init(Answer<numtyp,acctyp> &ans, const bool charge, const bool rot,
+           const int nlocal, const int nall, const int maxspecial,
+           const bool vel=false);
 
   /// Initialize the device for Atom storage only
   /** \param nlocal Total number of local particles to allocate memory for
@@ -91,6 +83,34 @@ class Device {
     * - -5 Double precision is not supported on card **/
   int init(Answer<numtyp,acctyp> &ans, const int nlocal, const int nall);
 
+  /// Initialize the neighbor list storage
+  /** \param charge True if charges need to be stored
+    * \param rot True if quaternions need to be stored
+    * \param nlocal Total number of local particles to allocate memory for
+    * \param host_nlocal Initial number of host particles to allocate memory for
+    * \param nall Total number of local+ghost particles
+    * \param maxspecial Maximum mumber of special bonded atoms per atom
+    * \param gpu_host 0 if host will not perform force calculations,
+    *                 1 if gpu_nbor is true, and host needs a half nbor list,
+    *                 2 if gpu_nbor is true, and host needs a full nbor list
+    * \param max_nbors Initial number of rows in the neighbor matrix
+    * \param cell_size cutoff+skin
+    * \param pre_cut True if cutoff test will be performed in separate kernel
+    *                than the force kernel
+    * \param threads_per_atom value to be used by the neighbor list only
+    *
+    * Returns:
+    * -  0 if successfull
+    * - -1 if fix gpu not found
+    * - -3 if there is an out of memory error
+    * - -4 if the GPU library was not compiled for GPU
+    * - -5 Double precision is not supported on card **/
+  int init_nbor(Neighbor *nbor, const int nlocal,
+                const int host_nlocal, const int nall,
+                const int maxspecial, const int gpu_host,
+                const int max_nbors, const double cell_size,
+                const bool pre_cut, const int threads_per_atom);
+
   /// Output a message for pair_style acceleration with device stats
   void init_message(FILE *screen, const char *name,
                     const int first_gpu, const int last_gpu);
@@ -173,7 +193,7 @@ class Device {
   /// Return host memory usage in bytes
   double host_memory_usage() const;
 
-  /// Return the number of procs sharing a device (size of device commincator)
+  /// Return the number of procs sharing a device (size of device communicator)
   inline int procs_per_gpu() const { return _procs_per_gpu; }
   /// Return the number of threads per proc
   inline int num_threads() const { return _nthreads; }
@@ -260,12 +280,12 @@ class Device {
   /// Atom Data
   Atom<numtyp,acctyp> atom;
 
-  // --------------------------- NBOR DATA ----------------------------
+  // --------------------------- NBOR SHARED KERNELS ----------------
 
-  /// Neighbor Data
+  /// Shared kernels for neighbor lists
   NeighborShared _neighbor_shared;
 
-  // ------------------------ LONG RANGE DATA -------------------------
+  // ------------------------ LONG RANGE DATA -----------------------
 
   // Long Range Data
   int _long_range_precompute;
diff --git a/lib/gpu/lal_dpd.cu b/lib/gpu/lal_dpd.cu
index e32404ff5ccad41853b58c682ab337f08a9902ea..462401ad7007bc927fce4f5ca86a8553e21c0f71 100644
--- a/lib/gpu/lal_dpd.cu
+++ b/lib/gpu/lal_dpd.cu
@@ -42,9 +42,9 @@ texture<int4,1> vel_tex;
 // 2. C. L. Phillips, J. A. Anderson, S. C. Glotzer, Comput. Phys. Comm. 230 (2011), 7191-7201.
 // PRNG period = 3666320093*2^32 ~ 2^64 ~ 10^19
 
-#define LCGA 0x4beb5d59 // Full period 32 bit LCG
+#define LCGA 0x4beb5d59 /* Full period 32 bit LCG */
 #define LCGC 0x2600e1f7
-#define oWeylPeriod 0xda879add // Prime period 3666320093
+#define oWeylPeriod 0xda879add /* Prime period 3666320093 */
 #define oWeylOffset 0x8009d14b
 #define TWO_N32 0.232830643653869628906250e-9f /* 2^-32 */
 
diff --git a/lib/gpu/lal_lj_cubic.cu b/lib/gpu/lal_lj_cubic.cu
index a4b1992f335fbd46312fa9c3780e735d3baf7dbc..683c6b2aacd2882e623e9adcbfc4748e079d3f18 100644
--- a/lib/gpu/lal_lj_cubic.cu
+++ b/lib/gpu/lal_lj_cubic.cu
@@ -27,9 +27,9 @@ texture<int4,1> pos_tex;
 // LJ quantities scaled by epsilon and rmin = sigma*2^1/6 (see src/pair_lj_cubic.h)
 
 #define _RT6TWO (numtyp)1.1224621
-#define _PHIS (numtyp)-0.7869823   // energy at s
-#define _DPHIDS (numtyp)2.6899009  // gradient at s
-#define _A3 (numtyp)27.93357       // cubic coefficient
+#define _PHIS (numtyp)-0.7869823  /* energy at s */
+#define _DPHIDS (numtyp)2.6899009 /* gradient at s */
+#define _A3 (numtyp)27.93357 /* cubic coefficient */
 
 __kernel void k_lj_cubic(const __global numtyp4 *restrict x_,
                          const __global numtyp4 *restrict lj1,
diff --git a/lib/kim/.gitignore b/lib/kim/.gitignore
index c1f57fe64c60c0837e5d004e3b11998bc09e6079..bfd4b35d87fd38009324aed0d20f4230689c36d0 100644
--- a/lib/kim/.gitignore
+++ b/lib/kim/.gitignore
@@ -1,3 +1,2 @@
-/Makefile.KIM_DIR
-/Makefile.KIM_Config
+/kim-prefix.txt
 /installed-kim-api-*
diff --git a/lib/kim/Install.py b/lib/kim/Install.py
index 7031fbd473b4969f9191ebc1cfa5383781ead93e..c3588241c4df01ace3d795c193c332d2ef7cff34 100644
--- a/lib/kim/Install.py
+++ b/lib/kim/Install.py
@@ -18,7 +18,7 @@ parser = ArgumentParser(prog='Install.py',
 # settings
 
 thisdir = fullpath('.')
-version = "kim-api-v1.9.5"
+version = "kim-api-2.0.2"
 
 # help message
 
@@ -35,19 +35,15 @@ Syntax from lib dir: python Install.py -b -v version  -a kim-name
 Examples:
 
 make lib-kim args="-b" # install KIM API lib with only example models
-make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001" # Ditto plus one model
+make lib-kim args="-b -a EAM_ErcolessiAdams_1994_Al__MO_324507536345_002" # Ditto plus one model
 make lib-kim args="-b -a everything"   # install KIM API lib with all models
-make lib-kim args="-n -a EAM_Dynamo_Ackland_W__MO_141627196590_002"    # only add one model or model driver
+make lib-kim args="-n -a EAM_Dynamo_Ackland_2003_W__MO_141627196590_005"    # only add one model or model driver
 
 See the list of KIM model drivers here:
-https://openkim.org/kim-items/model-drivers/alphabetical
+https://openkim.org/browse/model-drivers/alphabetical
 
 See the list of all KIM models here:
-https://openkim.org/kim-items/models/by-model-drivers
-
-See the list of example KIM models included by default here:
-https://openkim.org/kim-api
-in the "What is in the KIM API source package?" section
+https://openkim.org/browse/models/by-model-drivers
 """
 
 pgroup = parser.add_mutually_exclusive_group()
@@ -94,13 +90,10 @@ url = "https://s3.openkim.org/kim-api/%s.txz" % version
 
 if pathflag:
   # configure LAMMPS to use existing kim-api installation
-  with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
-    mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)
-    mkfile.write(".DUMMY: print_dir\n\n")
-    mkfile.write("print_dir:\n")
-    mkfile.write("	@printf $(KIM_INSTALL_DIR)\n")
+  with open("%s/kim-prefix.txt" % thisdir, 'w') as pffile:
+    pffile.write("%s" % kimdir)
 
-  print("Created %s/Makefile.KIM_DIR\n  using %s" % (thisdir, kimdir))
+  print("Created %s/kim-prefix.txt\n  using %s" % (thisdir,kimdir))
 else:
   kimdir = os.path.join(os.path.abspath(thisdir), "installed-" + version)
   if args.nobuild and not os.path.isdir(kimdir):
@@ -117,13 +110,10 @@ if buildflag:
 
   # configure LAMMPS to use kim-api to be installed
 
-  with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
-    mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)
-    mkfile.write(".DUMMY: print_dir\n\n")
-    mkfile.write("print_dir:\n")
-    mkfile.write("	@printf $(KIM_INSTALL_DIR)\n")
+  with open("%s/kim-prefix.txt" % thisdir, 'w') as pffile:
+    pffile.write("%s" % kimdir)
 
-  print("Created %s/Makefile.KIM_DIR\n  using %s" % (thisdir, kimdir))
+  print("Created %s/kim-prefix.txt\n  using %s" % (thisdir,kimdir))
 
   # download entire kim-api tarball
 
@@ -136,12 +126,13 @@ if buildflag:
   # configure kim-api
 
   print("Configuring kim-api ...")
-  cmd = 'cd "%s/%s"; ./configure --prefix="%s"' % (thisdir, version, kimdir)
-  subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
+  cmd = 'cd "%s/%s" && mkdir build && cd build && cmake .. -DCMAKE_INSTALL_PREFIX="%s" -DCMAKE_BUILD_TYPE=Release' % (thisdir,version,kimdir)
+  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  if verboseflag: print(txt.decode("UTF-8"))
 
   # build kim-api
   print("Building kim-api ...")
-  cmd = 'cd "%s/%s"; make' % (thisdir, version)
+  cmd = 'cd "%s/%s/build" && make' % (thisdir, version)
   txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
   if verboseflag:
     print(txt.decode("UTF-8"))
@@ -149,23 +140,13 @@ if buildflag:
   # install kim-api
 
   print("Installing kim-api ...")
-  cmd = 'cd "%s/%s"; make install' % (thisdir, version)
+  cmd = 'cd "%s/%s/build" && make install' % (thisdir, version)
   txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
   if verboseflag:
     print(txt.decode("UTF-8"))
 
   # remove source files
 
-  print("Building and installing example Models")
-  cmd = 'cd "%s/%s/examples"; make model-drivers-all-system' % (thisdir, version)
-  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
-  if verboseflag:
-    print(txt.decode("UTF-8"))
-  cmd = 'cd "%s/%s/examples"; make models-all-system' % (thisdir, version)
-  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
-  if verboseflag:
-    print(txt.decode("UTF-8"))
-
   print("Removing kim-api source and build files ...")
   cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir, version, version)
   subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
@@ -173,7 +154,7 @@ if buildflag:
   # add all OpenKIM models, if desired
   if everythingflag:
     print("Adding all OpenKIM models, this will take a while ...")
-    cmd = '%s/bin/kim-api-v1-collections-management install system OpenKIM' % (kimdir)
+    cmd = '%s/bin/kim-api-collections-management install system OpenKIM' % (kimdir)
     txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
     if verboseflag:
       print(txt.decode("UTF-8"))
@@ -181,16 +162,16 @@ if buildflag:
 # add single OpenKIM model
 if addflag:
 
-  makefile_path = os.path.join(thisdir, "Makefile.KIM_DIR")
-  if os.path.isfile(makefile_path):
-    cmd = 'make --no-print-directory -f %s print_dir' % makefile_path
-    kimdir = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
+  pf_path = os.path.join(thisdir, "kim-prefix.txt")
+  if os.path.isfile(pf_path):
+    cmd = 'cat %s' % pf_path
+    kimdir = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 
   if not os.path.isdir(kimdir):
     sys.exit("\nkim-api is not installed")
 
   # download single model
-  cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)
+  cmd = '%s/bin/kim-api-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)
   txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
   if verboseflag:
     print(txt.decode("UTF-8"))
diff --git a/lib/kim/Makefile.lammps b/lib/kim/Makefile.lammps
index d73891d1e20578b890946c69f091f45c78131b4f..d4e10b0fb4590feca7fe4ff71b962765d63dc098 100644
--- a/lib/kim/Makefile.lammps
+++ b/lib/kim/Makefile.lammps
@@ -5,8 +5,6 @@
 # The KIM API package can be downloaded from https://openkim.org/kim-api
 # Follow the instructions in the INSTALL file to build and install the
 # KIM API.  Add the openkim.org Models you are interested in using.
-# Make sure the directory where the "kim-api-build-conifg" utility is
-# located is on the PATH.
 #
 # As long as you have followed the KIM API build and install instructions,
 # there should not be any reason to change this file.
@@ -16,17 +14,22 @@
 # Settings that the LAMMPS build will import when this package is installed
 
 
-include ../../lib/kim/Makefile.KIM_DIR
+ifeq ($(strip $(shell pkg-config --version)),)
+  $(error 'pkg-config' not found, but is required to configure the KIM API)
+endif
+kim_PREFIX  := $(shell cat ../../lib/kim/kim-prefix.txt 2> /dev/null)
+kim_PREFIX  := $(if $(kim_PREFIX),$(kim_PREFIX)/lib/pkgconfig,)
+kim_PREFIX  := $(if $(shell printf -- "$${PKG_CONFIG_PATH}"),$(kim_PREFIX):$(shell printf -- "$${PKG_CONFIG_PATH}"),$(kim_PREFIX))
 
-ifeq ($(wildcard $(KIM_INSTALL_DIR)/bin/kim-api-v1-build-config),)
-  KIM_CONFIG_HELPER = kim-api-v1-build-config
+# there is no usable libcurl installation
+ifeq ($(shell curl-config --version 2> /dev/null),)
+kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api 2> /dev/null)
+kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api 2> /dev/null)
 else
-  KIM_CONFIG_HELPER = $(KIM_INSTALL_DIR)/bin/kim-api-v1-build-config
-endif
-ifeq ($(shell $(KIM_CONFIG_HELPER) --version 2> /dev/null),)
-  $(error $(KIM_CONFIG_HELPER) utility is not available.  Something is wrong with your KIM API package setup)
+kim_SYSINC  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --cflags libkim-api 2> /dev/null) $(shell curl-config --cflags) -DLMP_KIM_CURL
+kim_SYSLIB  := $(shell export PKG_CONFIG_PATH="$(kim_PREFIX)"; pkg-config --libs   libkim-api 2> /dev/null) $(shell curl-config --libs)
 endif
 
-kim_SYSINC  = $(shell $(KIM_CONFIG_HELPER) --includes)
-kim_SYSLIB  = $(shell $(KIM_CONFIG_HELPER) --ldlibs)
-kim_SYSPATH = $(shell $(KIM_CONFIG_HELPER) --ldflags)
+ifeq ($(strip $(kim_SYSINC)),)
+  $(error 'pkg-config' could not find an installed KIM API library.)
+endif
diff --git a/lib/kim/README b/lib/kim/README
index ce4ea1bdff42e55ad70b9101bdbea5b48ace61a6..d3327537b6cdeb554934d4156b9e9c239a333d0a 100644
--- a/lib/kim/README
+++ b/lib/kim/README
@@ -3,10 +3,9 @@ is required to use the KIM package and its pair_style kim command in a
 LAMMPS input script.
 
 Information about the KIM project can be found at https://openkim.org.
-The KIM project is lead by Ellad Tadmor and Ryan Elliott (U Minn) and
-James Sethna (Cornell U).  Ryan Elliott is the main developer for the
-KIM API and he also maintains the code that implements the pair_style
-kim command.
+The KIM project is lead by Ellad Tadmor and Ryan Elliott (U Minn).
+Ryan Elliott is the main developer for the KIM API and he also
+maintains the code that implements the pair_style kim command.
 
 You can type "make lib-kim" from the src directory to see help on
 how to download and build this library via make commands, or you can
@@ -14,6 +13,12 @@ do the same thing by typing "python Install.py" from within this
 directory, or you can do it manually by following the instructions
 below.
 
+As of KIM API version 2, the KIM package also provides a LAMMPS command
+to perform queries through the OpenKIM web API. This feature requires
+that the CURL library (libcurl) development package and its configuration
+query tool, curl-config, are installed. The provided Makefile.lammps
+is set up to automatically detect this.
+
 -----------------
 
 Instructions:
@@ -21,33 +26,34 @@ Instructions:
 1. Configure lammps for use with the kim-api library installed in this directory
 
 # replace X.Y.Z as appropriate here and below
-$ printf "KIM_INSTALL_DIR=${PWD}/installed-kim-api-vX.Y.Z\n" > ./Makefile.KIM_DIR
+$ printf "${PWD}/installed-kim-api-X-X.Y.Z" > ./kim-prefix.txt
 
 2. Download and unpack the kim-api
 
-$ wget http://s3.openkim.org/kim-api/kim-api-vX.Y.Z.txz
-$ tar zxvf kim-api-vX.Y.Z.txz
+$ wget http://s3.openkim.org/kim-api/kim-api-X.Y.Z.txz
+$ tar zxvf kim-api-X.Y.Z.txz
 
 # configure the kim-api
-$ cd kim-api-vX.Y.Z
-$ ./configure --prefix=${PWD}/../installed-kim-api-vX.Y.Z
+$ cd kim-api-X.Y.Z
+$ mkdir build && cd build
+$ cmake ..  -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-X.Y.Z
 
 3. Build and install the kim-api and model
 
 $ make
 $ make install
-$ cd ..
 
 4. Remove source and build files
 
-$ rm -rf kim-api-vX.Y.Z
-$ rm -rf kim-api-vX.Y.Z.txz
+$ cd ../../
+$ rm -rf kim-api-X.Y.Z
+$ rm -rf kim-api-X.Y.Z.txz
 
 5. To add items do the following (replace the kim item name with your
    desired value)
 
-$ source ${PWD}/kim-api-vX.Y.Z/bin/kim-api-v1-activate
-$ kim-api-v1-collections-management install system Pair_Johnson_Fe__MO_857282754307_002
+$ source ${PWD}/kim-api-X.Y.Z/bin/kim-api-activate
+$ kim-api-collections-management install system Pair_Johnson_Fe__MO_857282754307_002
 
 
 -----------------
@@ -59,6 +65,6 @@ $ cd lammpos/src
 $ make yes-kim
 $ make g++ (or whatever target you wish)
 
-Note that the Makefile.lammps and Makefile.KIM_DIR files in this directory
-are required to allow the LAMMPS build to find the necessary KIM files.
-You should not normally need to edit these files.
+Note that the Makefile.lammps file in this directory is required to
+allow the LAMMPS build to find the necessary KIM files.  You should
+not normally need to edit these files.
diff --git a/lib/kokkos/CHANGELOG.md b/lib/kokkos/CHANGELOG.md
index 9d503663ae7939452863205ffcd287cad58be69a..8d196e2c35abf8c6a8109a3a2f84cc781de67925 100644
--- a/lib/kokkos/CHANGELOG.md
+++ b/lib/kokkos/CHANGELOG.md
@@ -1,5 +1,39 @@
 # Change Log
 
+## [2.9.00](https://github.com/kokkos/kokkos/tree/2.9.00) (2019-06-24)
+[Full Changelog](https://github.com/kokkos/kokkos/compare/2.8.00...2.9.00)
+
+**Implemented enhancements:**
+
+- Capability: CUDA Streams [\#1723](https://github.com/kokkos/kokkos/issues/1723)
+- Capability: CUDA Stream support for parallel\_reduce [\#2061](https://github.com/kokkos/kokkos/issues/2061)
+- Capability: Feature Request: TeamVectorRange [\#713](https://github.com/kokkos/kokkos/issues/713)
+- Capability: Adding HPX backend [\#2080](https://github.com/kokkos/kokkos/issues/2080)
+- Capability: TaskScheduler to have multiple queues [\#565](https://github.com/kokkos/kokkos/issues/565)
+- Capability: Support for additional reductions in ScatterView [\#1674](https://github.com/kokkos/kokkos/issues/1674)
+- Capability: Request: deep\_copy within parallel regions [\#689](https://github.com/kokkos/kokkos/issues/689)
+- Capability: Feature Request: `create\_mirror\_view\_without\_initializing` [\#1765](https://github.com/kokkos/kokkos/issues/1765)
+- View: Use SFINAE to restrict possible View type conversions [\#2127](https://github.com/kokkos/kokkos/issues/2127)
+- Deprecation: Deprecate ExecutionSpace::fence\(\) as static function and make it non-static [\#2140](https://github.com/kokkos/kokkos/issues/2140)
+- Deprecation: Deprecate LayoutTileLeft [\#2122](https://github.com/kokkos/kokkos/issues/2122)
+- Macros: KOKKOS\_RESTRICT defined for non-Intel compilers [\#2038](https://github.com/kokkos/kokkos/issues/2038)
+
+**Fixed bugs:**
+
+- Cuda: TeamThreadRange loop count on device is passed by reference to host static constexpr [\#1733](https://github.com/kokkos/kokkos/issues/1733)
+- Cuda: Build error with relocatable device code with CUDA 10.1 GCC 7.3 [\#2134](https://github.com/kokkos/kokkos/issues/2134)
+- Cuda: cudaFuncSetCacheConfig is setting CachePreferShared too often [\#2066](https://github.com/kokkos/kokkos/issues/2066)
+- Cuda: TeamPolicy doesn't throw then created with non-viable vector length and also doesn't backscale to viable one [\#2020](https://github.com/kokkos/kokkos/issues/2020)
+- Cuda: cudaMemcpy error for large league sizes on V100 [\#1991](https://github.com/kokkos/kokkos/issues/1991)
+- Cuda: illegal warp sync in parallel\_reduce by functor on Turing 75 [\#1958](https://github.com/kokkos/kokkos/issues/1958)
+- TeamThreadRange: Inconsistent results from TeamThreadRange reduction [\#1905](https://github.com/kokkos/kokkos/issues/1905)
+- Atomics: atomic\_fetch\_oper & atomic\_oper\_fetch don't build for complex\<float\> [\#1964](https://github.com/kokkos/kokkos/issues/1964)
+- Views: Kokkos randomread Views leak memory [\#2155](https://github.com/kokkos/kokkos/issues/2155)
+- ScatterView: LayoutLeft overload currently non-functional [\#2165](https://github.com/kokkos/kokkos/issues/2165)
+- KNL: With intel 17.2.174 illegal instruction in random number test [\#2078](https://github.com/kokkos/kokkos/issues/2078)
+- Bitset: Enable copy constructor on device [\#2094](https://github.com/kokkos/kokkos/issues/2094)
+- Examples: do not compile due to template deduction error \(multi\_fem\) [\#1928](https://github.com/kokkos/kokkos/issues/1928)
+
 ## [2.8.00](https://github.com/kokkos/kokkos/tree/2.8.00) (2019-02-05)
 [Full Changelog](https://github.com/kokkos/kokkos/compare/2.7.24...2.8.00)
 
diff --git a/lib/kokkos/Makefile.kokkos b/lib/kokkos/Makefile.kokkos
index a90e86b9f82cb013d65b97edb3a29dfb2110c93a..e9ad57f0aebc71bea0f17a73b7b8c675e725fe6b 100644
--- a/lib/kokkos/Makefile.kokkos
+++ b/lib/kokkos/Makefile.kokkos
@@ -23,7 +23,7 @@ KOKKOS_DEBUG ?= "no"
 KOKKOS_USE_TPLS ?= ""
 # Options: c++11,c++14,c++1y,c++17,c++1z,c++2a
 KOKKOS_CXX_STANDARD ?= "c++11"
-# Options: aggressive_vectorization,disable_profiling,disable_deprecated_code,enable_large_mem_tests
+# Options: aggressive_vectorization,disable_profiling,enable_deprecated_code,disable_deprecated_code,enable_large_mem_tests
 KOKKOS_OPTIONS ?= ""
 # Option for setting ETI path
 KOKKOS_ETI_PATH ?= ${KOKKOS_PATH}/core/src/eti
@@ -33,11 +33,19 @@ KOKKOS_CMAKE ?= "no"
 # Options: force_uvm,use_ldg,rdc,enable_lambda
 KOKKOS_CUDA_OPTIONS ?= "enable_lambda"
 
+# Default settings specific options.
+# Options: enable_async_dispatch
+KOKKOS_HPX_OPTIONS ?= ""
+
 # Return a 1 if a string contains a substring and 0 if not
 # Note the search string should be without '"'
 # Example: $(call kokkos_has_string,"hwloc,librt",hwloc)
 #   Will return a 1
 kokkos_has_string=$(if $(findstring $2,$1),1,0)
+# Returns 1 if the path exists, 0 otherwise
+# Example: $(call kokkos_path_exists,/path/to/file)
+#   Will return a 1 if /path/to/file exists
+kokkos_path_exists=$(if $(wildcard $1),1,0)
 
 # Check for general settings.
 KOKKOS_INTERNAL_ENABLE_DEBUG := $(call kokkos_has_string,$(KOKKOS_DEBUG),yes)
@@ -58,6 +66,7 @@ KOKKOS_INTERNAL_ENABLE_COMPILER_WARNINGS := $(call kokkos_has_string,$(KOKKOS_OP
 KOKKOS_INTERNAL_OPT_RANGE_AGGRESSIVE_VECTORIZATION := $(call kokkos_has_string,$(KOKKOS_OPTIONS),aggressive_vectorization)
 KOKKOS_INTERNAL_DISABLE_PROFILING := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_profiling)
 KOKKOS_INTERNAL_DISABLE_DEPRECATED_CODE := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_deprecated_code)
+KOKKOS_INTERNAL_ENABLE_DEPRECATED_CODE := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_deprecated_code)
 KOKKOS_INTERNAL_DISABLE_DUALVIEW_MODIFY_CHECK := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_dualview_modify_check)
 KOKKOS_INTERNAL_ENABLE_PROFILING_LOAD_PRINT := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_profile_load_print)
 KOKKOS_INTERNAL_ENABLE_LARGE_MEM_TESTS := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_large_mem_tests)
@@ -65,6 +74,7 @@ KOKKOS_INTERNAL_CUDA_USE_LDG := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),
 KOKKOS_INTERNAL_CUDA_USE_UVM := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),force_uvm)
 KOKKOS_INTERNAL_CUDA_USE_RELOC := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),rdc)
 KOKKOS_INTERNAL_CUDA_USE_LAMBDA := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),enable_lambda)
+KOKKOS_INTERNAL_HPX_ENABLE_ASYNC_DISPATCH := $(call kokkos_has_string,$(KOKKOS_HPX_OPTIONS),enable_async_dispatch)
 KOKKOS_INTERNAL_ENABLE_ETI := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_eti)
 
 
@@ -72,12 +82,15 @@ KOKKOS_INTERNAL_ENABLE_ETI := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_
 KOKKOS_INTERNAL_USE_OPENMP := $(call kokkos_has_string,$(subst OpenMPTarget,,$(KOKKOS_DEVICES)),OpenMP)
 KOKKOS_INTERNAL_USE_PTHREADS := $(call kokkos_has_string,$(KOKKOS_DEVICES),Pthread)
 KOKKOS_INTERNAL_USE_QTHREADS := $(call kokkos_has_string,$(KOKKOS_DEVICES),Qthreads)
+KOKKOS_INTERNAL_USE_HPX := $(call kokkos_has_string,$(KOKKOS_DEVICES),HPX)
 KOKKOS_INTERNAL_USE_SERIAL := $(call kokkos_has_string,$(KOKKOS_DEVICES),Serial)
 
 ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 0)
   ifeq ($(KOKKOS_INTERNAL_USE_PTHREADS), 0)
     ifeq ($(KOKKOS_INTERNAL_USE_QTHREADS), 0)
-      KOKKOS_INTERNAL_USE_SERIAL := 1
+      ifeq ($(KOKKOS_INTERNAL_USE_HPX), 0)
+        KOKKOS_INTERNAL_USE_SERIAL := 1
+      endif
     endif
   endif
 endif
@@ -112,7 +125,7 @@ KOKKOS_INTERNAL_COMPILER_XL          := $(strip $(shell $(CXX) -qversion       2
 KOKKOS_INTERNAL_COMPILER_CRAY        := $(strip $(shell $(CXX) -craype-verbose 2>&1 | grep "CC-"               | wc -l))
 KOKKOS_INTERNAL_COMPILER_NVCC        := $(strip $(shell export OMPI_CXX=$(OMPI_CXX); export MPICH_CXX=$(MPICH_CXX); $(CXX) --version 2>&1 | grep nvcc | wc -l))
 KOKKOS_INTERNAL_COMPILER_CLANG       := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),clang)
-KOKKOS_INTERNAL_COMPILER_APPLE_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),apple-darwin)
+KOKKOS_INTERNAL_COMPILER_APPLE_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),Apple LLVM)
 KOKKOS_INTERNAL_COMPILER_HCC         := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),HCC)
 
 # Check Host Compiler if using NVCC through nvcc_wrapper
@@ -283,9 +296,9 @@ KOKKOS_INTERNAL_USE_ARCH_NVIDIA := $(shell expr $(KOKKOS_INTERNAL_USE_ARCH_KEPLE
                                               + $(KOKKOS_INTERNAL_USE_ARCH_KEPLER37)  \
                                               + $(KOKKOS_INTERNAL_USE_ARCH_PASCAL61)  \
                                               + $(KOKKOS_INTERNAL_USE_ARCH_PASCAL60)  \
-					      + $(KOKKOS_INTERNAL_USE_ARCH_VOLTA70) \
-					      + $(KOKKOS_INTERNAL_USE_ARCH_VOLTA72) \
-					      + $(KOKKOS_INTERNAL_USE_ARCH_TURING75) \
+											  + $(KOKKOS_INTERNAL_USE_ARCH_VOLTA70) \
+											  + $(KOKKOS_INTERNAL_USE_ARCH_VOLTA72) \
+											  + $(KOKKOS_INTERNAL_USE_ARCH_TURING75) \
                                               + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL50) \
                                               + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL52) \
                                               + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL53))
@@ -300,19 +313,19 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_NVIDIA), 0)
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_KEPLER37)  \
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_PASCAL61)  \
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_PASCAL60)  \
-						+ $(KOKKOS_INTERNAL_USE_ARCH_VOLTA70) \
-						+ $(KOKKOS_INTERNAL_USE_ARCH_VOLTA72) \
-						+ $(KOKKOS_INTERNAL_USE_ARCH_TURING75) \
+												+ $(KOKKOS_INTERNAL_USE_ARCH_VOLTA70) \
+												+ $(KOKKOS_INTERNAL_USE_ARCH_VOLTA72) \
+												+ $(KOKKOS_INTERNAL_USE_ARCH_TURING75) \
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL50) \
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL52) \
                                                 + $(KOKKOS_INTERNAL_USE_ARCH_MAXWELL53))
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_ARCH_NVIDIA), 1)
-  ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
-    ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1)
-      KOKKOS_INTERNAL_NVCC_PATH := $(shell which nvcc)
-      CUDA_PATH ?= $(KOKKOS_INTERNAL_NVCC_PATH:/bin/nvcc=)
+  ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1)
+    KOKKOS_INTERNAL_NVCC_PATH := $(shell which nvcc)
+    CUDA_PATH ?= $(KOKKOS_INTERNAL_NVCC_PATH:/bin/nvcc=)
+    ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
       KOKKOS_INTERNAL_OPENMPTARGET_FLAG := $(KOKKOS_INTERNAL_OPENMPTARGET_FLAG) --cuda-path=$(CUDA_PATH)
     endif
   endif
@@ -441,6 +454,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_QTHREADS), 1)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_QTHREADS")
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_HPX")
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_SERIAL")
 endif
@@ -559,9 +576,15 @@ ifeq ($(KOKKOS_INTERNAL_DISABLE_PROFILING), 0)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_PROFILING")
 endif
 
-ifeq ($(KOKKOS_INTERNAL_DISABLE_DEPRECATED_CODE), 0)
-  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_DEPRECATED_CODE")
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 0)
+  ifeq ($(KOKKOS_INTERNAL_ENABLE_DEPRECATED_CODE), 1)
+    tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_DEPRECATED_CODE")
+  endif
+  ifeq ($(KOKKOS_INTERNAL_DISABLE_DEPRECATED_CODE), 0)
+    tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_DEPRECATED_CODE")
+  endif
 endif
+
 ifeq ($(KOKKOS_INTERNAL_ENABLE_ETI), 1)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_ETI")
 endif
@@ -593,8 +616,13 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
 
   ifeq ($(KOKKOS_INTERNAL_CUDA_USE_RELOC), 1)
     tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE")
-    KOKKOS_CXXFLAGS += --relocatable-device-code=true
-    KOKKOS_LDFLAGS += --relocatable-device-code=true
+    ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1)
+      KOKKOS_CXXFLAGS += -fcuda-rdc
+      KOKKOS_LDFLAGS += -fcuda-rdc
+    else
+      KOKKOS_CXXFLAGS += --relocatable-device-code=true
+      KOKKOS_LDFLAGS += --relocatable-device-code=true
+    endif
   endif
 
   ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1)
@@ -625,6 +653,12 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
   endif
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  ifeq ($(KOKKOS_INTERNAL_HPX_ENABLE_ASYNC_DISPATCH), 1)
+    tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_HPX_ASYNC_DISPATCH")
+  endif
+endif
+
 # Add Architecture flags.
 
 ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ARMV80), 1)
@@ -908,7 +942,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
 		KOKKOS_INTERNAL_CUDA_ARCH_FLAG=--cuda-gpu-arch
 		KOKKOS_CXXFLAGS += -x cuda
   else
-    $(error Makefile.kokkos: CUDA is enabled but the compiler is neither NVCC nor Clang)
+    $(error Makefile.kokkos: CUDA is enabled but the compiler is neither NVCC nor Clang (got version string $(KOKKOS_CXX_VERSION)) )
   endif
 
   ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER30), 1)
@@ -1058,10 +1092,18 @@ endif
     ifneq ($(KOKKOS_CMAKE), yes)
       KOKKOS_CXXFLAGS += -I$(CUDA_PATH)/include
     endif
-    KOKKOS_LDFLAGS += -L$(CUDA_PATH)/lib64
-    KOKKOS_CXXLDFLAGS += -L$(CUDA_PATH)/lib64
+    ifeq ($(call kokkos_path_exists,$(CUDA_PATH)/lib64), 1)
+      KOKKOS_LDFLAGS += -L$(CUDA_PATH)/lib64
+      KOKKOS_CXXLDFLAGS += -L$(CUDA_PATH)/lib64
+      KOKKOS_TPL_LIBRARY_DIRS += $(CUDA_PATH)/lib64
+    else ifeq ($(call kokkos_path_exists,$(CUDA_PATH)/lib), 1)
+      KOKKOS_LDFLAGS += -L$(CUDA_PATH)/lib
+      KOKKOS_CXXLDFLAGS += -L$(CUDA_PATH)/lib
+      KOKKOS_TPL_LIBRARY_DIRS += $(CUDA_PATH)/lib
+    else
+      $(error Can't find CUDA library directory: no lib64 or lib directory in $(CUDA_PATH))
+    endif
     KOKKOS_TPL_INCLUDE_DIRS += $(CUDA_PATH)/include
-    KOKKOS_TPL_LIBRARY_DIRS += $(CUDA_PATH)/lib64
     ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1)
       KOKKOS_CXXFLAGS += --cuda-path=$(CUDA_PATH)
     endif
@@ -1124,6 +1166,33 @@ ifeq ($(KOKKOS_INTERNAL_USE_QTHREADS), 1)
   KOKKOS_TPL_LIBRARY_NAMES += qthread
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/HPX/*.cpp)
+  KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/HPX/*.hpp)
+  ifneq ($(HPX_PATH),)
+    ifeq ($(KOKKOS_INTERNAL_ENABLE_DEBUG), 1)
+      KOKKOS_CXXFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --cflags hpx_application_debug)
+      KOKKOS_CXXLDFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --libs hpx_application_debug)
+      KOKKOS_LDFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --libs hpx_application_debug)
+    else
+      KOKKOS_CXXFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --cflags hpx_application)
+      KOKKOS_CXXLDFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --libs hpx_application)
+      KOKKOS_LDFLAGS += $(shell PKG_CONFIG_PATH=$(HPX_PATH)/lib64/pkgconfig pkg-config --libs hpx_application)
+    endif
+  else
+    ifeq ($(KOKKOS_INTERNAL_ENABLE_DEBUG), 1)
+      KOKKOS_CXXFLAGS += $(shell pkg-config --cflags hpx_application_debug)
+      KOKKOS_CXXLDFLAGS += $(shell pkg-config --libs hpx_application_debug)
+      KOKKOS_LDFLAGS += $(shell pkg-config --libs hpx_application_debug)
+    else
+      KOKKOS_CXXFLAGS += $(shell pkg-config --cflags hpx_application)
+      KOKKOS_CXXLDFLAGS += $(shell pkg-config --libs hpx_application)
+      KOKKOS_LDFLAGS += $(shell pkg-config --libs hpx_application)
+    endif
+  endif
+  KOKKOS_TPL_LIBRARY_NAMES += hpx
+endif
+
 # Explicitly set the GCC Toolchain for Clang.
 ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1)
   KOKKOS_INTERNAL_GCC_PATH = $(shell which g++)
diff --git a/lib/kokkos/Makefile.targets b/lib/kokkos/Makefile.targets
index 44da1e082ae12f6293a3fb925fb8b30e76e28248..e7d5a3c90769230f31672ef9f098b42ef4bb6f7d 100644
--- a/lib/kokkos/Makefile.targets
+++ b/lib/kokkos/Makefile.targets
@@ -30,6 +30,8 @@ Kokkos_SharedAlloc.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/impl/Kokkos_
 	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/impl/Kokkos_SharedAlloc.cpp
 Kokkos_MemoryPool.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/impl/Kokkos_MemoryPool.cpp
 	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/impl/Kokkos_MemoryPool.cpp
+Kokkos_HostSpace_deepcopy.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/impl/Kokkos_HostSpace_deepcopy.cpp 
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/impl/Kokkos_HostSpace_deepcopy.cpp
 
 ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
 ifeq ($(KOKKOS_INTERNAL_ENABLE_ETI), 1)
@@ -38,8 +40,8 @@ endif
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
-Kokkos_Cuda_Impl.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Impl.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Impl.cpp
+Kokkos_Cuda_Instance.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Instance.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Instance.cpp
 Kokkos_CudaSpace.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_CudaSpace.cpp
 	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_CudaSpace.cpp
 Kokkos_Cuda_Task.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Task.cpp
@@ -92,6 +94,13 @@ ifeq ($(KOKKOS_INTERNAL_ENABLE_ETI), 1)
 endif
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+Kokkos_HPX.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HPX/Kokkos_HPX.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HPX/Kokkos_HPX.cpp
+Kokkos_HPX_Task.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HPX/Kokkos_HPX_Task.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HPX/Kokkos_HPX_Task.cpp
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
 Kokkos_OpenMPTarget_Exec.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Exec.cpp
 	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Exec.cpp
diff --git a/lib/kokkos/algorithms/cmake/Dependencies.cmake b/lib/kokkos/algorithms/cmake/Dependencies.cmake
index c36b62523fadb628e970b6eccf57a9caaa317f1e..1b413106817cc6adf18dc94189203a27e641c6d5 100644
--- a/lib/kokkos/algorithms/cmake/Dependencies.cmake
+++ b/lib/kokkos/algorithms/cmake/Dependencies.cmake
@@ -1,5 +1,5 @@
 TRIBITS_PACKAGE_DEFINE_DEPENDENCIES(
   LIB_REQUIRED_PACKAGES KokkosCore KokkosContainers
-  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC
+  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC HPX
   TEST_OPTIONAL_TPLS CUSPARSE
   )
diff --git a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
index 8bdd876723520da4672f3f58659f46d58db1539f..7fb8505fe5327470c6dac96ba17631d460443675 100644
--- a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
+++ b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
@@ -328,6 +328,8 @@ public:
 
       parallel_for("Kokkos::Sort::Copy", Kokkos::RangePolicy<execution_space>(0,len),functor);
     }
+
+    Kokkos::fence();
   }
 
   template<class ValuesViewType>
diff --git a/lib/kokkos/algorithms/unit_tests/CMakeLists.txt b/lib/kokkos/algorithms/unit_tests/CMakeLists.txt
index f5aa24e9beda5eb528d9779f55d8860536629363..e238b37c8ec933aaec930d1896957e2739b97724 100644
--- a/lib/kokkos/algorithms/unit_tests/CMakeLists.txt
+++ b/lib/kokkos/algorithms/unit_tests/CMakeLists.txt
@@ -42,6 +42,12 @@ IF(Kokkos_ENABLE_OpenMP)
   )
 ENDIF()
 
+IF(Kokkos_ENABLE_HPX)
+  LIST( APPEND SOURCES
+    TestHPX.cpp
+  )
+ENDIF()
+
 IF(Kokkos_ENABLE_Serial)
   LIST( APPEND SOURCES
     TestSerial.cpp
diff --git a/lib/kokkos/algorithms/unit_tests/Makefile b/lib/kokkos/algorithms/unit_tests/Makefile
index b5848c451e6e1b4f817f3a446911d4d246f2e6d5..3c862d03dc9a40aa5e8fb7de630ae36aa5ed7116 100644
--- a/lib/kokkos/algorithms/unit_tests/Makefile
+++ b/lib/kokkos/algorithms/unit_tests/Makefile
@@ -49,6 +49,12 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	TEST_TARGETS += test-openmp
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+	OBJ_HPX = TestHPX.o UnitTestMain.o gtest-all.o
+	TARGETS += KokkosAlgorithms_UnitTest_HPX
+	TEST_TARGETS += test-hpx
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
 	OBJ_SERIAL = TestSerial.o UnitTestMain.o gtest-all.o
 	TARGETS += KokkosAlgorithms_UnitTest_Serial
@@ -67,6 +73,9 @@ KokkosAlgorithms_UnitTest_Threads: $(OBJ_THREADS) $(KOKKOS_LINK_DEPENDS)
 KokkosAlgorithms_UnitTest_OpenMP: $(OBJ_OPENMP) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_OPENMP) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosAlgorithms_UnitTest_OpenMP
 
+KokkosAlgorithms_UnitTest_HPX: $(OBJ_HPX) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) $(OBJ_HPX) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosAlgorithms_UnitTest_HPX
+
 KokkosAlgorithms_UnitTest_Serial: $(OBJ_SERIAL) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_SERIAL) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosAlgorithms_UnitTest_Serial
 
@@ -82,6 +91,9 @@ test-threads: KokkosAlgorithms_UnitTest_Threads
 test-openmp: KokkosAlgorithms_UnitTest_OpenMP
 	./KokkosAlgorithms_UnitTest_OpenMP
 
+test-hpx: KokkosAlgorithms_UnitTest_HPX
+	./KokkosAlgorithms_UnitTest_HPX
+
 test-serial: KokkosAlgorithms_UnitTest_Serial
 	./KokkosAlgorithms_UnitTest_Serial
 
diff --git a/lib/kokkos/algorithms/unit_tests/TestHPX.cpp b/lib/kokkos/algorithms/unit_tests/TestHPX.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e5b7dbdb7a32c5cee98b33d1169bf5f49e71d1cb
--- /dev/null
+++ b/lib/kokkos/algorithms/unit_tests/TestHPX.cpp
@@ -0,0 +1,96 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+
+#include <Kokkos_Macros.hpp>
+#ifdef KOKKOS_ENABLE_HPX
+
+#include <gtest/gtest.h>
+#include <Kokkos_Core.hpp>
+
+//----------------------------------------------------------------------------
+#include <TestRandom.hpp>
+#include <TestSort.hpp>
+#include <iomanip>
+
+namespace Test {
+
+class hpx : public ::testing::Test {
+protected:
+  static void SetUpTestCase()
+  {
+    std::cout << std::setprecision(5) << std::scientific;
+  }
+
+  static void TearDownTestCase()
+  {
+  }
+};
+
+#define HPX_RANDOM_XORSHIFT64( num_draws )                                \
+  TEST_F( hpx, Random_XorShift64 ) {   \
+      Impl::test_random<Kokkos::Random_XorShift64_Pool<Kokkos::Experimental::HPX> >(num_draws); \
+  }
+
+#define HPX_RANDOM_XORSHIFT1024( num_draws )                                \
+  TEST_F( hpx, Random_XorShift1024 ) {   \
+      Impl::test_random<Kokkos::Random_XorShift1024_Pool<Kokkos::Experimental::HPX> >(num_draws); \
+  }
+
+#define HPX_SORT_UNSIGNED( size )                                \
+  TEST_F( hpx, SortUnsigned ) {   \
+      Impl::test_sort< Kokkos::Experimental::HPX, unsigned >(size); \
+  }
+
+HPX_RANDOM_XORSHIFT64( 10240000 )
+HPX_RANDOM_XORSHIFT1024( 10130144 )
+HPX_SORT_UNSIGNED(171)
+
+#undef HPX_RANDOM_XORSHIFT64
+#undef HPX_RANDOM_XORSHIFT1024
+#undef HPX_SORT_UNSIGNED
+} // namespace test
+#else
+void KOKKOS_ALGORITHMS_UNITTESTS_TESTHPX_PREVENT_LINK_ERROR() {}
+#endif
+
diff --git a/lib/kokkos/algorithms/unit_tests/TestSort.hpp b/lib/kokkos/algorithms/unit_tests/TestSort.hpp
index e0c646c199be04841fbf0354905231ec00abf322..5fd7f09b50ef617b797f39305a3318e71ea354da 100644
--- a/lib/kokkos/algorithms/unit_tests/TestSort.hpp
+++ b/lib/kokkos/algorithms/unit_tests/TestSort.hpp
@@ -225,9 +225,9 @@ void test_dynamic_view_sort(unsigned int n )
   Kokkos::Random_XorShift64_Pool<ExecutionSpace> g(1931);
   Kokkos::fill_random(keys_view,g,Kokkos::Random_XorShift64_Pool<ExecutionSpace>::generator_type::MAX_URAND);
 
-  ExecutionSpace::fence();
+  ExecutionSpace().fence();
   Kokkos::deep_copy(keys,keys_view);
-  //ExecutionSpace::fence();
+  //ExecutionSpace().fence();
 
   double sum_before = 0.0;
   double sum_after = 0.0;
@@ -237,9 +237,9 @@ void test_dynamic_view_sort(unsigned int n )
 
   Kokkos::sort(keys, 0 /* begin */ , n /* end */ );
 
-  ExecutionSpace::fence(); // Need this fence to prevent BusError with Cuda
+  ExecutionSpace().fence(); // Need this fence to prevent BusError with Cuda
   Kokkos::deep_copy( keys_view , keys );
-  //ExecutionSpace::fence();
+  //ExecutionSpace().fence();
 
   Kokkos::parallel_reduce(n,sum<ExecutionSpace, KeyType>(keys_view),sum_after);
   Kokkos::parallel_reduce(n-1,is_sorted_struct<ExecutionSpace, KeyType>(keys_view),sort_fails);
diff --git a/lib/kokkos/cmake/kokkos_build.cmake b/lib/kokkos/cmake/kokkos_build.cmake
index 8178483d019f0acc4ac4717d53ca5268b92b0793..f9b995baae4f9b319adb0dbe7527f301de8d3a9e 100644
--- a/lib/kokkos/cmake/kokkos_build.cmake
+++ b/lib/kokkos/cmake/kokkos_build.cmake
@@ -76,8 +76,20 @@ IF(KOKKOS_SEPARATE_LIBS)
   )
 
   foreach(lib IN LISTS KOKKOS_TPL_LIBRARY_NAMES)
-    if ("${lib}" STREQUAL "cuda")
+    if (("${lib}" STREQUAL "cuda") AND (NOT "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang"))
       set(LIB_cuda "-lcuda")
+    elseif ("${lib}" STREQUAL "hpx")
+      find_package(HPX REQUIRED)
+      if(${HPX_FOUND})
+        target_link_libraries(kokkoscore PUBLIC ${HPX_LIBRARIES})
+        target_link_libraries(kokkoscontainers PUBLIC ${HPX_LIBRARIES})
+        target_link_libraries(kokkosalgorithms PUBLIC ${HPX_LIBRARIES})
+        target_include_directories(kokkoscore PUBLIC ${HPX_INCLUDE_DIRS})
+        target_include_directories(kokkoscontainers PUBLIC ${HPX_INCLUDE_DIRS})
+        target_include_directories(kokkosalgorithms PUBLIC ${HPX_INCLUDE_DIRS})
+      else()
+        message(ERROR "HPX not found. Check the value of HPX_DIR (= ${HPX_DIR}) or CMAKE_PREFIX_PATH (= ${CMAKE_PREFIX_PATH}).")
+      endif()
     else()
       find_library(LIB_${lib} ${lib} PATHS ${KOKKOS_TPL_LIBRARY_DIRS})
     endif()
@@ -158,8 +170,16 @@ ELSE()
   )
 
   foreach(lib IN LISTS KOKKOS_TPL_LIBRARY_NAMES)
-    if ("${lib}" STREQUAL "cuda")
+    if (("${lib}" STREQUAL "cuda") AND (NOT "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang"))
       set(LIB_cuda "-lcuda")
+    elseif ("${lib}" STREQUAL "hpx")
+      find_package(HPX REQUIRED)
+      if(${HPX_FOUND})
+        target_link_libraries(kokkos PUBLIC ${HPX_LIBRARIES})
+        target_include_directories(kokkos PUBLIC ${HPX_INCLUDE_DIRS})
+      else()
+        message(ERROR "HPX not found. Check the value of HPX_DIR (= ${HPX_DIR}) or CMAKE_PREFIX_PATH (= ${CMAKE_PREFIX_PATH}).")
+      endif()
     else()
       find_library(LIB_${lib} ${lib} PATHS ${KOKKOS_TPL_LIBRARY_DIRS})
     endif()
diff --git a/lib/kokkos/cmake/kokkos_functions.cmake b/lib/kokkos/cmake/kokkos_functions.cmake
index bc490115af9ae5b1dfbd4d36f1e0d7256867c627..616618753b11544367ead73b725884cbf9affee8 100644
--- a/lib/kokkos/cmake/kokkos_functions.cmake
+++ b/lib/kokkos/cmake/kokkos_functions.cmake
@@ -95,7 +95,7 @@ function(set_kokkos_cxx_compiler)
         message(FATAL_ERROR "Compiling CUDA code directly with Clang requires version 4.0.0 or higher.")
       endif()
     elseif(NOT INTERNAL_CXX_COMPILER_ID STREQUAL NVIDIA)
-      message(FATAL_ERROR "Invalid compiler for CUDA.  The compiler must be nvcc_wrapper or Clang.")
+      message(FATAL_ERROR "Invalid compiler for CUDA.  The compiler must be nvcc_wrapper or Clang, but compiler ID was ${INTERNAL_CXX_COMPILER_ID}")
     endif()
   endif()
 
diff --git a/lib/kokkos/cmake/kokkos_options.cmake b/lib/kokkos/cmake/kokkos_options.cmake
index be494e5df08748f734d197d5d43bd64d9168e7e4..e730a946645a21f202fe380062beecc14c83f158 100644
--- a/lib/kokkos/cmake/kokkos_options.cmake
+++ b/lib/kokkos/cmake/kokkos_options.cmake
@@ -14,6 +14,7 @@ list(APPEND KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST
      OpenMP
      Pthread
      Qthread
+     HPX
      Cuda
      ROCm
      HWLOC
@@ -23,6 +24,7 @@ list(APPEND KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST
      Cuda_Relocatable_Device_Code
      Cuda_UVM
      Cuda_LDG_Intrinsic
+     HPX_ASYNC_DISPATCH
      Debug
      Debug_DualView_Modify_Check
      Debug_Bounds_Check
@@ -116,6 +118,7 @@ list(APPEND KOKKOS_DEVICES_LIST
     OpenMP        # OpenMP
     Pthread       # pthread
     Qthreads      # qthreads
+    HPX           # HPX
     Serial        # serial
     ROCm          # Relocatable device code
     )
@@ -173,6 +176,19 @@ set(KOKKOS_INTERNAL_RELOCATABLE_DEVICE_CODE rdc)
 set(KOKKOS_INTERNAL_LAMBDA enable_lambda)
 
 
+#-------------------------------------------------------------------------------
+# List of possible Options for HPX
+#-------------------------------------------------------------------------------
+# From Makefile.kokkos: Options: enable_async_dispatch
+set(KOKKOS_HPX_OPTIONS_LIST)
+list(APPEND KOKKOS_HPX_OPTIONS_LIST
+    ASYNC_DISPATCH # enable_async_dispatch
+    )
+
+# Map of cmake variables to Makefile variables
+set(KOKKOS_INTERNAL_ENABLE_ASYNC_DISPATCH enable_async_dispatch)
+
+
 #-------------------------------------------------------------------------------
 #------------------------------- Create doc strings ----------------------------
 #-------------------------------------------------------------------------------
@@ -202,6 +218,11 @@ set(KOKKOS_SEPARATE_LIBS OFF CACHE BOOL "OFF = kokkos.  ON = kokkoscore, kokkosc
 # Qthreads options.
 set(KOKKOS_QTHREADS_DIR "" CACHE PATH "Location of Qthreads library.")
 
+# HPX options.
+set(KOKKOS_HPX_DIR "" CACHE PATH "Location of HPX library.")
+
+# Whether to build separate libraries or now
+set(KOKKOS_SEPARATE_TESTS OFF CACHE BOOL "Provide unit test targets with finer granularity.")
 
 #-------------------------------------------------------------------------------
 #------------------------------- KOKKOS_DEVICES --------------------------------
@@ -215,6 +236,11 @@ IF(Trilinos_ENABLE_Kokkos)
   ELSE()
     set_kokkos_default_default(QTHREADS OFF)
   ENDIF()
+  IF(TPL_ENABLE_HPX)
+    set_kokkos_default_default(HPX ON)
+  ELSE()
+    set_kokkos_default_default(HPX OFF)
+  ENDIF()
   IF(Trilinos_ENABLE_OpenMP)
     set_kokkos_default_default(OPENMP ${Trilinos_ENABLE_OpenMP})
   ELSE()
@@ -231,6 +257,7 @@ ELSE()
   set_kokkos_default_default(OPENMP OFF)
   set_kokkos_default_default(PTHREAD OFF)
   set_kokkos_default_default(QTHREAD OFF)
+  set_kokkos_default_default(HPX OFF)
   set_kokkos_default_default(CUDA OFF)
   set_kokkos_default_default(ROCM OFF)
 ENDIF()
@@ -241,6 +268,7 @@ set(KOKKOS_ENABLE_SERIAL ${KOKKOS_INTERNAL_ENABLE_SERIAL_DEFAULT} CACHE BOOL "Wh
 set(KOKKOS_ENABLE_OPENMP ${KOKKOS_INTERNAL_ENABLE_OPENMP_DEFAULT} CACHE BOOL "Enable OpenMP support in Kokkos." FORCE)
 set(KOKKOS_ENABLE_PTHREAD ${KOKKOS_INTERNAL_ENABLE_PTHREAD_DEFAULT} CACHE BOOL "Enable Pthread support in Kokkos.")
 set(KOKKOS_ENABLE_QTHREADS ${KOKKOS_INTERNAL_ENABLE_QTHREADS_DEFAULT} CACHE BOOL "Enable Qthreads support in Kokkos.")
+set(KOKKOS_ENABLE_HPX ${KOKKOS_INTERNAL_ENABLE_HPX_DEFAULT} CACHE BOOL "Enable HPX support in Kokkos.")
 set(KOKKOS_ENABLE_CUDA ${KOKKOS_INTERNAL_ENABLE_CUDA_DEFAULT} CACHE BOOL "Enable CUDA support in Kokkos.")
 set(KOKKOS_ENABLE_ROCM ${KOKKOS_INTERNAL_ENABLE_ROCM_DEFAULT} CACHE BOOL "Enable ROCm support in Kokkos.")
 
@@ -343,6 +371,18 @@ set(KOKKOS_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE ${KOKKOS_INTERNAL_ENABLE_CUDA_REL
 set(KOKKOS_ENABLE_CUDA_LAMBDA ${KOKKOS_INTERNAL_ENABLE_CUDA_LAMBDA_DEFAULT} CACHE BOOL "Enable lambdas for CUDA. (cuda option)")
 
 
+#-------------------------------------------------------------------------------
+#------------------------------- KOKKOS_HPX_OPTIONS ----------------------------
+#-------------------------------------------------------------------------------
+
+# HPX options.
+# Set Defaults
+set_kokkos_default_default(HPX_ASYNC_DISPATCH OFF)
+
+# Set actual options
+set(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH ${KOKKOS_INTERNAL_ENABLE_HPX_ASYNC_DISPATCH_DEFAULT} CACHE BOOL "Enable HPX async dispatch.")
+
+
 #-------------------------------------------------------------------------------
 #----------------------- HOST ARCH AND LEGACY TRIBITS --------------------------
 #-------------------------------------------------------------------------------
@@ -376,4 +416,3 @@ foreach(opt ${KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST})
     SET(Kokkos_ENABLE_${opt} ${KOKKOS_ENABLE_${OPT}} CACHE BOOL "CamelCase Compatibility setting for KOKKOS_ENABLE_${OPT}")
   ENDIF()
 endforeach()
-
diff --git a/lib/kokkos/cmake/kokkos_settings.cmake b/lib/kokkos/cmake/kokkos_settings.cmake
index 387ced6d5205105c930d547b83711031453271a2..2c622d0de91f87f59f78a598820b80bc294d0b19 100644
--- a/lib/kokkos/cmake/kokkos_settings.cmake
+++ b/lib/kokkos/cmake/kokkos_settings.cmake
@@ -198,6 +198,8 @@ if(KOKKOS_CMAKE_VERBOSE)
     message(STATUS "    Host Parallel: Pthread")
   elseif(KOKKOS_ENABLE_QTHREADS)
     message(STATUS "    Host Parallel: Qthreads")
+  elseif(KOKKOS_ENABLE_HPX)
+    message(STATUS "    Host Parallel: HPX")
   else()
     message(STATUS "    Host Parallel: None")
   endif()
@@ -244,6 +246,10 @@ if(KOKKOS_CMAKE_VERBOSE)
     message(STATUS "  KOKKOS_MEMKIND_DIR: ${KOKKOS_MEMKIND_DIR}")
   endif()
 
+  if(KOKKOS_HPX_DIR)
+    message(STATUS "  KOKKOS_HPX_DIR: ${KOKKOS_HPX_DIR}")
+  endif()
+
   message(STATUS "")
   message(STATUS "Final kokkos settings variable:")
   message(STATUS "  ${KOKKOS_SETTINGS}")
diff --git a/lib/kokkos/cmake/tribits.cmake b/lib/kokkos/cmake/tribits.cmake
index f8eebc29f8b01dab2fe1baa831d30306b0eef376..1f467f0662e0c2154a53a0c5fcb46aea8be5de43 100644
--- a/lib/kokkos/cmake/tribits.cmake
+++ b/lib/kokkos/cmake/tribits.cmake
@@ -9,6 +9,10 @@ IF(NOT DEFINED ${PROJECT_NAME}_ENABLE_OpenMP)
   SET(${PROJECT_NAME}_ENABLE_OpenMP OFF)
 ENDIF()
 
+IF(NOT DEFINED ${PROJECT_NAME}_ENABLE_HPX)
+  SET(${PROJECT_NAME}_ENABLE_HPX OFF)
+ENDIF()
+
 IF(NOT DEFINED ${PROJECT_NAME}_ENABLE_DEBUG)
   SET(${PROJECT_NAME}_ENABLE_DEBUG OFF)
 ENDIF()
@@ -309,6 +313,10 @@ ENDFUNCTION()
 FUNCTION(TRIBITS_TPL_TENTATIVELY_ENABLE)
 ENDFUNCTION()
 
+FUNCTION(TRIBITS_ADD_ADVANCED_TEST)
+  # TODO Write this
+ENDFUNCTION()
+
 FUNCTION(TRIBITS_ADD_EXECUTABLE_AND_TEST EXE_NAME)
 
   SET(options STANDARD_PASS_OUTPUT WILL_FAIL)
diff --git a/lib/kokkos/containers/cmake/Dependencies.cmake b/lib/kokkos/containers/cmake/Dependencies.cmake
index 1d71d8af341181f689a6a8bf63036b67584cb138..5e29157369c9ab8cab935a1bfc4c6dad2fdd0296 100644
--- a/lib/kokkos/containers/cmake/Dependencies.cmake
+++ b/lib/kokkos/containers/cmake/Dependencies.cmake
@@ -1,5 +1,5 @@
 TRIBITS_PACKAGE_DEFINE_DEPENDENCIES(
   LIB_REQUIRED_PACKAGES KokkosCore
-  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC
+  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC HPX
   TEST_OPTIONAL_TPLS CUSPARSE
   )
diff --git a/lib/kokkos/containers/performance_tests/CMakeLists.txt b/lib/kokkos/containers/performance_tests/CMakeLists.txt
index 1203a8bd81eab6a6e50f53c2eb8920d8e3c6159b..3c6584bc346b9e48a245e39038a99396a10c1a14 100644
--- a/lib/kokkos/containers/performance_tests/CMakeLists.txt
+++ b/lib/kokkos/containers/performance_tests/CMakeLists.txt
@@ -24,6 +24,10 @@ IF(Kokkos_ENABLE_OpenMP)
   LIST( APPEND SOURCES TestOpenMP.cpp)
 ENDIF()
 
+IF(Kokkos_ENABLE_HPX)
+  LIST( APPEND SOURCES TestHPX.cpp)
+ENDIF()
+
 # Per #374, we always want to build this test, but we only want to run
 # it as a PERFORMANCE test.  That's why we separate building the test
 # from running the test.
diff --git a/lib/kokkos/containers/performance_tests/Makefile b/lib/kokkos/containers/performance_tests/Makefile
index ebed75ccd611f73899d9285e2243d6f574bf37a1..f309a220d0f148a2e90806edd62f51bcb814d44e 100644
--- a/lib/kokkos/containers/performance_tests/Makefile
+++ b/lib/kokkos/containers/performance_tests/Makefile
@@ -49,6 +49,12 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	TEST_TARGETS += test-openmp
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+	OBJ_HPX = TestHPX.o TestMain.o gtest-all.o
+	TARGETS += KokkosContainers_PerformanceTest_HPX
+	TEST_TARGETS += test-hpx
+endif
+
 KokkosContainers_PerformanceTest_Cuda: $(OBJ_CUDA) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(KOKKOS_LDFLAGS) $(LDFLAGS) $(EXTRA_PATH) $(OBJ_CUDA) $(KOKKOS_LIBS) $(LIB) -o KokkosContainers_PerformanceTest_Cuda
 
@@ -61,6 +67,9 @@ KokkosContainers_PerformanceTest_Threads: $(OBJ_THREADS) $(KOKKOS_LINK_DEPENDS)
 KokkosContainers_PerformanceTest_OpenMP: $(OBJ_OPENMP) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(KOKKOS_LDFLAGS) $(LDFLAGS) $(EXTRA_PATH) $(OBJ_OPENMP) $(KOKKOS_LIBS) $(LIB) -o KokkosContainers_PerformanceTest_OpenMP
 
+KokkosContainers_PerformanceTest_HPX: $(OBJ_HPX) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(KOKKOS_LDFLAGS) $(LDFLAGS) $(EXTRA_PATH) $(OBJ_HPX) $(KOKKOS_LIBS) $(LIB) -o KokkosContainers_PerformanceTest_HPX
+
 test-cuda: KokkosContainers_PerformanceTest_Cuda
 	./KokkosContainers_PerformanceTest_Cuda
 
@@ -73,6 +82,9 @@ test-threads: KokkosContainers_PerformanceTest_Threads
 test-openmp: KokkosContainers_PerformanceTest_OpenMP
 	./KokkosContainers_PerformanceTest_OpenMP
 
+test-hpx: KokkosContainers_PerformanceTest_HPX
+	./KokkosContainers_PerformanceTest_HPX
+
 build_all: $(TARGETS)
 
 test: $(TEST_TARGETS)
diff --git a/lib/kokkos/containers/performance_tests/TestDynRankView.hpp b/lib/kokkos/containers/performance_tests/TestDynRankView.hpp
index 0d2fae32a38d7d0ffe11e2790d73d45216da98de..db6274e0579747079f3274b454ade63ad1a051b3 100644
--- a/lib/kokkos/containers/performance_tests/TestDynRankView.hpp
+++ b/lib/kokkos/containers/performance_tests/TestDynRankView.hpp
@@ -197,7 +197,7 @@ void test_dynrankview_op_perf( const int par_size )
     timer.reset();
     Kokkos::RangePolicy<DeviceType> policy(0,par_size);
     Kokkos::parallel_for( policy , FunctorType(testview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_view = timer.seconds();
     std::cout << " View time (init only): " << elapsed_time_view << std::endl;
 
@@ -205,7 +205,7 @@ void test_dynrankview_op_perf( const int par_size )
     timer.reset();
     Kokkos::View<double*,DeviceType> sumview("sumview",par_size);
     Kokkos::parallel_for( policy , typename FunctorType::SumComputationTest(testview, sumview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_compview = timer.seconds();
     std::cout << " View sum computation time: " << elapsed_time_view << std::endl;
 
@@ -215,7 +215,7 @@ void test_dynrankview_op_perf( const int par_size )
 
     timer.reset();
     Kokkos::parallel_for( policy , FunctorStrideType(teststrideview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_strideview = timer.seconds();
     std::cout << " Strided View time (init only): " << elapsed_time_strideview << std::endl;
   }
@@ -226,7 +226,7 @@ void test_dynrankview_op_perf( const int par_size )
     timer.reset();
     Kokkos::RangePolicy<DeviceType> policy(0,par_size);
     Kokkos::parallel_for( policy , FunctorType(testview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_view_rank7 = timer.seconds();
     std::cout << " View Rank7 time (init only): " << elapsed_time_view_rank7 << std::endl;
   }
@@ -237,14 +237,14 @@ void test_dynrankview_op_perf( const int par_size )
     timer.reset();
     Kokkos::RangePolicy<DeviceType> policy(0,par_size);
     Kokkos::parallel_for( policy , FunctorType(testdrview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_drview = timer.seconds();
     std::cout << " DynRankView time (init only): " << elapsed_time_drview << std::endl;
 
     timer.reset();
     Kokkos::DynRankView<double,DeviceType> sumview("sumview",par_size);
     Kokkos::parallel_for( policy , typename FunctorType::SumComputationTest(testdrview, sumview) );
-    DeviceType::fence();
+    DeviceType().fence();
     elapsed_time_compdrview = timer.seconds();
     std::cout << " DynRankView sum computation time: " << elapsed_time_compdrview << std::endl;
 
diff --git a/lib/kokkos/containers/performance_tests/TestGlobal2LocalIds.hpp b/lib/kokkos/containers/performance_tests/TestGlobal2LocalIds.hpp
index dcaca776be59b61b56ad82e78d6f715263e6082f..98997b32394b7a9d71a1e78e3041993e25bd4193 100644
--- a/lib/kokkos/containers/performance_tests/TestGlobal2LocalIds.hpp
+++ b/lib/kokkos/containers/performance_tests/TestGlobal2LocalIds.hpp
@@ -192,7 +192,7 @@ void test_global_to_local_ids(unsigned num_ids)
   {
     generate_ids<Device> gen(local_2_global);
   }
-  Device::fence();
+  Device().fence();
   // generate
   elasped_time = timer.seconds();
   std::cout << elasped_time << ", ";
@@ -201,7 +201,7 @@ void test_global_to_local_ids(unsigned num_ids)
   {
     fill_map<Device> fill(global_2_local, local_2_global);
   }
-  Device::fence();
+  Device().fence();
 
   // fill
   elasped_time = timer.seconds();
@@ -214,7 +214,7 @@ void test_global_to_local_ids(unsigned num_ids)
   {
     find_test<Device> find(global_2_local, local_2_global,num_errors);
   }
-  Device::fence();
+  Device().fence();
 
   // find
   elasped_time = timer.seconds();
diff --git a/lib/kokkos/containers/performance_tests/TestHPX.cpp b/lib/kokkos/containers/performance_tests/TestHPX.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0f43377cee499f04d14736663c92aa32e49c0a58
--- /dev/null
+++ b/lib/kokkos/containers/performance_tests/TestHPX.cpp
@@ -0,0 +1,130 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_HPX )
+
+#include <gtest/gtest.h>
+
+#include <Kokkos_Core.hpp>
+
+#include <Kokkos_UnorderedMap.hpp>
+
+#include <TestGlobal2LocalIds.hpp>
+#include <TestUnorderedMapPerformance.hpp>
+
+#include <TestDynRankView.hpp>
+#include <TestScatterView.hpp>
+
+#include <iomanip>
+#include <sstream>
+#include <string>
+#include <fstream>
+
+
+namespace Performance {
+
+class hpx : public ::testing::Test {
+protected:
+  static void SetUpTestCase()
+  {
+    std::cout << std::setprecision(5) << std::scientific;
+
+    Kokkos::initialize();
+    Kokkos::print_configuration( std::cout );
+  }
+
+  static void TearDownTestCase()
+  {
+    Kokkos::finalize();
+  }
+};
+
+TEST_F( hpx, dynrankview_perf )
+{
+  std::cout << "HPX" << std::endl;
+  std::cout << " DynRankView vs View: Initialization Only " << std::endl;
+  test_dynrankview_op_perf<Kokkos::Experimental::HPX>( 8192 );
+}
+
+TEST_F( hpx, global_2_local)
+{
+  std::cout << "HPX" << std::endl;
+  std::cout << "size, create, generate, fill, find" << std::endl;
+  for (unsigned i=Performance::begin_id_size; i<=Performance::end_id_size; i *= Performance::id_step)
+    test_global_to_local_ids<Kokkos::Experimental::HPX>(i);
+}
+
+TEST_F( hpx, unordered_map_performance_near)
+{
+  unsigned num_hpx = 4;
+  std::ostringstream base_file_name;
+  base_file_name << "hpx-" << num_hpx << "-near";
+  Perf::run_performance_tests<Kokkos::Experimental::HPX,true>(base_file_name.str());
+}
+
+TEST_F( hpx, unordered_map_performance_far)
+{
+  unsigned num_hpx = 4;
+  std::ostringstream base_file_name;
+  base_file_name << "hpx-" << num_hpx << "-far";
+  Perf::run_performance_tests<Kokkos::Experimental::HPX,false>(base_file_name.str());
+}
+
+TEST_F( hpx, scatter_view)
+{
+  std::cout << "ScatterView data-duplicated test:\n";
+  Perf::test_scatter_view<Kokkos::Experimental::HPX, Kokkos::LayoutRight,
+    Kokkos::Experimental::ScatterDuplicated,
+    Kokkos::Experimental::ScatterNonAtomic>(10, 1000 * 1000);
+//std::cout << "ScatterView atomics test:\n";
+//Perf::test_scatter_view<Kokkos::Experimental::HPX, Kokkos::LayoutRight,
+//  Kokkos::Experimental::ScatterNonDuplicated,
+//  Kokkos::Experimental::ScatterAtomic>(10, 1000 * 1000);
+}
+
+} // namespace test
+#else
+void KOKKOS_CONTAINERS_PERFORMANCE_TESTS_TESTHPX_PREVENT_EMPTY_LINK_ERROR() {}
+#endif
+
diff --git a/lib/kokkos/containers/performance_tests/TestScatterView.hpp b/lib/kokkos/containers/performance_tests/TestScatterView.hpp
index 03129d2b09f17b03f34f8cb8a9b4442d9c570709..bd9121bb829a903bc8cb6e78b51668bcc45448e4 100644
--- a/lib/kokkos/containers/performance_tests/TestScatterView.hpp
+++ b/lib/kokkos/containers/performance_tests/TestScatterView.hpp
@@ -83,6 +83,7 @@ void test_scatter_view(int m, int n)
       for (int k = 0; k < m; ++k) {
         Kokkos::parallel_for(policy, f2, "hand_coded_duplicate_scatter_view_test");
       }
+      Kokkos::fence();
       auto t = timer.seconds();
       std::cout << "hand-coded test took " << t << " seconds\n";
     }
@@ -101,6 +102,7 @@ void test_scatter_view(int m, int n)
       for (int k = 0; k < m; ++k) {
         Kokkos::parallel_for(policy, f, "scatter_view_test");
       }
+      Kokkos::fence();
       auto t = timer.seconds();
       std::cout << "test took " << t << " seconds\n";
     }
diff --git a/lib/kokkos/containers/performance_tests/TestUnorderedMapPerformance.hpp b/lib/kokkos/containers/performance_tests/TestUnorderedMapPerformance.hpp
index e8734b259de911489e97ccce7bcfce6e11f3b387..8d09281ed36cc99690c40784397a448cf1c8e1d8 100644
--- a/lib/kokkos/containers/performance_tests/TestUnorderedMapPerformance.hpp
+++ b/lib/kokkos/containers/performance_tests/TestUnorderedMapPerformance.hpp
@@ -108,7 +108,7 @@ struct UnorderedMapTest
     std::cout << std::setprecision(2) << std::fixed << std::setw(5) << (1e9*(seconds/(inserts))) << "; " << std::flush;
 
     histogram.calculate();
-    Device::fence();
+    Device().fence();
   }
 
   void print(std::ostream & metrics_out, std::ostream & length_out, std::ostream & distance_out, std::ostream & block_distance_out)
@@ -236,7 +236,7 @@ void run_performance_tests(std::string const & base_file_name)
         uint32_t inserts = static_cast<uint32_t>(test_ratios[j]*(capacity));
         std::cout << capacity << std::flush;
         UnorderedMapTest<Device, Near> test(capacity, inserts*collisions[i], collisions[i]);
-        Device::fence();
+        Device().fence();
         test.print(metrics_out, length_out, distance_out, block_distance_out);
       }
       std::cout << "\b\b  " <<  std::endl;
diff --git a/lib/kokkos/containers/src/Kokkos_Bitset.hpp b/lib/kokkos/containers/src/Kokkos_Bitset.hpp
index bfe8080f3b92ce9d11a0c040c123745acaf7e66b..4d78430fc634ed7dad2a904a4dc5282e16501637 100644
--- a/lib/kokkos/containers/src/Kokkos_Bitset.hpp
+++ b/lib/kokkos/containers/src/Kokkos_Bitset.hpp
@@ -107,22 +107,20 @@ public:
     }
   }
 
-  /// assignment
-  Bitset<Device> & operator = (Bitset<Device> const & rhs)
-  {
-    this->m_size = rhs.m_size;
-    this->m_last_block_mask = rhs.m_last_block_mask;
-    this->m_blocks = rhs.m_blocks;
+  KOKKOS_INLINE_FUNCTION
+  Bitset (const Bitset<Device>&) = default;
 
-    return *this;
-  }
+  KOKKOS_INLINE_FUNCTION
+  Bitset& operator= (const Bitset<Device>&) = default;
 
-  /// copy constructor
-  Bitset( Bitset<Device> const & rhs)
-    : m_size( rhs.m_size )
-    , m_last_block_mask( rhs.m_last_block_mask )
-    , m_blocks( rhs.m_blocks )
-  {}
+  KOKKOS_INLINE_FUNCTION
+  Bitset (Bitset<Device>&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  Bitset& operator= (Bitset<Device>&&) = default;
+  
+  KOKKOS_INLINE_FUNCTION
+  ~Bitset () = default;
 
   /// number of bits in the set
   /// can be call from the host or the device
diff --git a/lib/kokkos/containers/src/Kokkos_DualView.hpp b/lib/kokkos/containers/src/Kokkos_DualView.hpp
index f6631a4149c916c4760edd5377981a3812a31f2d..d9b14d67a2f02854962c2f3d127f1d80da67a46d 100644
--- a/lib/kokkos/containers/src/Kokkos_DualView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_DualView.hpp
@@ -484,8 +484,8 @@ public:
       }
     }
     if(std::is_same<typename t_host::memory_space,typename t_dev::memory_space>::value) {
-      t_dev::execution_space::fence();
-      t_host::execution_space::fence();
+      typename t_dev::execution_space().fence();
+      typename t_host::execution_space().fence();
     }
   }
 
diff --git a/lib/kokkos/containers/src/Kokkos_DynRankView.hpp b/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
index 3f284e6a8d79d9275f00420a90d208c4683bdd62..d1e6704a573dfd3c26ad5eaa37d69ab1dc678459 100644
--- a/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
@@ -75,7 +75,7 @@ struct DynRankDimTraits {
                            , const size_t N4
                            , const size_t N5
                            , const size_t N6
-                           , const size_t N7 )
+                           , const size_t /* N7 */)
   {
     return
       (   (N6 == unspecified && N5 == unspecified && N4 == unspecified && N3 == unspecified && N2 == unspecified && N1 == unspecified && N0 == unspecified) ? 0
@@ -106,7 +106,7 @@ struct DynRankDimTraits {
   // Extra overload to match that for specialize types v2
   template <typename Layout, typename ... P>
   KOKKOS_INLINE_FUNCTION
-  static size_t computeRank( const Kokkos::Impl::ViewCtorProp<P...>& prop, const Layout& layout )
+  static size_t computeRank( const Kokkos::Impl::ViewCtorProp<P...>& /* prop */, const Layout& layout )
   {
     return computeRank(layout);
   }
@@ -155,7 +155,7 @@ struct DynRankDimTraits {
   // Extra overload to match that for specialize types
   template <typename Traits, typename ... P>
   KOKKOS_INLINE_FUNCTION
-  static typename std::enable_if< (std::is_same<typename Traits::array_layout , Kokkos::LayoutRight>::value || std::is_same<typename Traits::array_layout , Kokkos::LayoutLeft>::value || std::is_same<typename Traits::array_layout , Kokkos::LayoutStride>::value) , typename Traits::array_layout >::type createLayout( const Kokkos::Impl::ViewCtorProp<P...>& prop, const typename Traits::array_layout& layout )
+  static typename std::enable_if< (std::is_same<typename Traits::array_layout , Kokkos::LayoutRight>::value || std::is_same<typename Traits::array_layout , Kokkos::LayoutLeft>::value || std::is_same<typename Traits::array_layout , Kokkos::LayoutStride>::value) , typename Traits::array_layout >::type createLayout( const Kokkos::Impl::ViewCtorProp<P...>& /* prop */, const typename Traits::array_layout& layout )
   {
     return createLayout( layout );
   }
@@ -655,7 +655,7 @@ public:
       const size_t dim_scalar = m_map.dimension_scalar();
       const size_t bytes = this->span() / dim_scalar;
 
-      typedef Kokkos::View<DataType*, typename traits::array_layout, typename traits::device_type, Kokkos::MemoryTraits<Kokkos::Unmanaged | traits::memory_traits::RandomAccess | traits::memory_traits::Atomic> > tmp_view_type;
+      typedef Kokkos::View<DataType*, typename traits::array_layout, typename traits::device_type, Kokkos::MemoryTraits<traits::memory_traits::is_unmanaged | traits::memory_traits::is_random_access | traits::memory_traits::is_atomic> > tmp_view_type;
       tmp_view_type rankone_view(this->data(), bytes, dim_scalar);
       return rankone_view(i0);
     }
@@ -1060,7 +1060,7 @@ public:
       }
 
       // Copy the input allocation properties with possibly defaulted properties
-      alloc_prop prop( arg_prop );
+      alloc_prop prop_copy( arg_prop );
 
 //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
@@ -1070,18 +1070,18 @@ public:
       // Fence using the trait's executon space (which will be Kokkos::Cuda)
       // to avoid incomplete type errors from usng Kokkos::Cuda directly.
       if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-        traits::device_type::memory_space::execution_space::fence();
+        typename traits::device_type::memory_space::execution_space().fence();
       }
 #endif
 //------------------------------------------------------------
 
       Kokkos::Impl::SharedAllocationRecord<> *
-        record = m_map.allocate_shared( prop , Impl::DynRankDimTraits<typename traits::specialize>::template createLayout<traits, P...>(arg_prop, arg_layout) );
+        record = m_map.allocate_shared( prop_copy, Impl::DynRankDimTraits<typename traits::specialize>::template createLayout<traits, P...>(arg_prop, arg_layout) );
 
 //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
       if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-        traits::device_type::memory_space::execution_space::fence();
+        typename traits::device_type::memory_space::execution_space().fence();
       }
 #endif
 //------------------------------------------------------------
@@ -1609,7 +1609,7 @@ struct DynRankViewFill {
 
       closure.execute();
 
-      execution_space::fence();
+      execution_space().fence();
     }
 };
 
@@ -1650,6 +1650,7 @@ struct DynRankViewRemap {
       typedef Kokkos::RangePolicy< ExecSpace > Policy ;
       const Kokkos::Impl::ParallelFor< DynRankViewRemap , Policy > closure( *this , Policy( 0 , n0 ) );
       closure.execute();
+      // Kokkos::fence(); // ??
     }
 
   KOKKOS_INLINE_FUNCTION
diff --git a/lib/kokkos/containers/src/Kokkos_DynamicView.hpp b/lib/kokkos/containers/src/Kokkos_DynamicView.hpp
index ab782a82ad3fbe3dee7126a328747590c57e95c4..37d56e7cfb02d8071bc79a4bee1fc4b06bb4f692 100644
--- a/lib/kokkos/containers/src/Kokkos_DynamicView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_DynamicView.hpp
@@ -288,8 +288,8 @@ public:
     >::type
   resize_serial( IntType const & n )
     {
-      typedef typename traits::value_type value_type ;
-      typedef value_type * value_pointer_type ;
+      typedef typename traits::value_type local_value_type ;
+      typedef local_value_type * value_pointer_type ;
 
       const uintptr_t NC = ( n + m_chunk_mask ) >> m_chunk_shift ; // New total number of chunks needed for resize
 
@@ -304,8 +304,8 @@ public:
       if ( *pc < NC ) {
         while ( *pc < NC ) {
           m_chunks[*pc] = reinterpret_cast<value_pointer_type>
-            ( 
-             typename traits::memory_space().allocate( sizeof(value_type) << m_chunk_shift ) 
+            (
+             typename traits::memory_space().allocate( sizeof(local_value_type) << m_chunk_shift )
             );
           ++*pc ;
         }
@@ -314,7 +314,7 @@ public:
         while ( NC + 1 <= *pc ) {
           --*pc ;
           typename traits::memory_space().deallocate( m_chunks[*pc]
-                                         , sizeof(value_type) << m_chunk_shift );
+                                         , sizeof(local_value_type) << m_chunk_shift );
           m_chunks[*pc] = 0 ;
         }
       }
@@ -376,8 +376,8 @@ public:
 
         closure.execute();
 
-        traits::execution_space::fence();
-        //Impl::ChunkArraySpace< typename traits::memory_space >::memory_space::execution_space::fence(); 
+        typename traits::execution_space().fence();
+        //Impl::ChunkArraySpace< typename traits::memory_space >::memory_space::execution_space().fence(); 
       }
 
     void construct_shared_allocation()
diff --git a/lib/kokkos/containers/src/Kokkos_OffsetView.hpp b/lib/kokkos/containers/src/Kokkos_OffsetView.hpp
index b614764ee787c778eec2b87f2c27bcb33290e265..4ce1f4d84fa51cb2419706c39ccabbf5c26048d3 100644
--- a/lib/kokkos/containers/src/Kokkos_OffsetView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_OffsetView.hpp
@@ -202,8 +202,8 @@ namespace Kokkos {
 
          template <typename iType, typename std::enable_if< std::is_integral<iType>::value, iType>::type = 0>
          KOKKOS_INLINE_FUNCTION
-         int64_t begin(const iType dimension) const {
-            return dimension < Rank ? m_begins[dimension] : 0;
+         int64_t begin(const iType local_dimension) const {
+             return local_dimension < Rank ? m_begins[local_dimension] : 0;
          }
 
          KOKKOS_INLINE_FUNCTION
@@ -211,7 +211,9 @@ namespace Kokkos {
 
          template <typename iType, typename std::enable_if< std::is_integral<iType>::value, iType>::type = 0>
          KOKKOS_INLINE_FUNCTION
-         int64_t end(const iType dimension) const {return begin(dimension) + m_map.extent(dimension);}
+         int64_t end(const iType local_dimension) const {
+             return begin(local_dimension) + m_map.extent(local_dimension);
+         }
 
 
       private:
@@ -1068,7 +1070,7 @@ namespace Kokkos {
             }
 
             // Copy the input allocation properties with possibly defaulted properties
-            alloc_prop prop( arg_prop );
+            alloc_prop prop_copy( arg_prop );
 
             //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
@@ -1078,18 +1080,18 @@ namespace Kokkos {
             // Fence using the trait's executon space (which will be Kokkos::Cuda)
             // to avoid incomplete type errors from usng Kokkos::Cuda directly.
             if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-               traits::device_type::memory_space::execution_space::fence();
+               typename traits::device_type::memory_space::execution_space().fence();
             }
 #endif
             //------------------------------------------------------------
 
             Kokkos::Impl::SharedAllocationRecord<> *
-            record = m_map.allocate_shared( prop , arg_layout );
+            record = m_map.allocate_shared( prop_copy , arg_layout );
 
             //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
             if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-               traits::device_type::memory_space::execution_space::fence();
+               typename traits::device_type::memory_space::execution_space().fence();
             }
 #endif
             //------------------------------------------------------------
diff --git a/lib/kokkos/containers/src/Kokkos_ScatterView.hpp b/lib/kokkos/containers/src/Kokkos_ScatterView.hpp
index 8e568578872f52da170f1831c060158bf13078e4..a8c05e3f363162f10bdaa50d8af9409924f96b89 100644
--- a/lib/kokkos/containers/src/Kokkos_ScatterView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_ScatterView.hpp
@@ -57,9 +57,16 @@
 namespace Kokkos {
 namespace Experimental {
 
-//TODO: replace this enum with the Kokkos::Sum, etc reducers for parallel_reduce
+/*
+ * Reduction Type list
+ *  - These corresponds to subset of the reducers in parallel_reduce
+ *  - See Implementations of ScatterValue for details.
+ */
 enum : int {
   ScatterSum,
+  ScatterProd,
+  ScatterMax,
+  ScatterMin,
 };
 
 enum : int {
@@ -114,6 +121,21 @@ struct DefaultContribution<Kokkos::OpenMP, Kokkos::Experimental::ScatterDuplicat
 };
 #endif
 
+#ifdef KOKKOS_ENABLE_HPX
+template <>
+struct DefaultDuplication<Kokkos::Experimental::HPX> {
+  enum : int { value = Kokkos::Experimental::ScatterDuplicated };
+};
+template <>
+struct DefaultContribution<Kokkos::Experimental::HPX, Kokkos::Experimental::ScatterNonDuplicated> {
+  enum : int { value = Kokkos::Experimental::ScatterAtomic };
+};
+template <>
+struct DefaultContribution<Kokkos::Experimental::HPX, Kokkos::Experimental::ScatterDuplicated> {
+  enum : int { value = Kokkos::Experimental::ScatterNonAtomic };
+};
+#endif
+
 #ifdef KOKKOS_ENABLE_THREADS
 template <>
 struct DefaultDuplication<Kokkos::Threads> {
@@ -144,39 +166,277 @@ struct DefaultContribution<Kokkos::Cuda, Kokkos::Experimental::ScatterDuplicated
 };
 #endif
 
-/* ScatterValue is the object returned by the access operator() of ScatterAccess,
-   similar to that returned by an Atomic View, it wraps Kokkos::atomic_add with convenient
-   operator+=, etc. */
+/* ScatterValue <Op=ScatterSum, contribution=ScatterNonAtomic> is the object returned by the access operator() of ScatterAccess,
+   This class inherits from the Sum<> reducer and it wraps join(dest, src) with convenient operator+=, etc. 
+   Note the addition of update(ValueType const& rhs) and reset()  so that all reducers can have common functions
+   See ReduceDuplicates and ResetDuplicates ) */
 template <typename ValueType, int Op, int contribution>
 struct ScatterValue;
 
 template <typename ValueType>
-struct ScatterValue<ValueType, Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonAtomic> {
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonAtomic> :
+  Sum<ValueType,Kokkos::DefaultExecutionSpace> {
   public:
-    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : value( value_in ) {}
-    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ScatterValue&& other) : value( other.value ) {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Sum<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ScatterValue&& other) : 
+       Sum<ValueType,Kokkos::DefaultExecutionSpace>(other.reference())
+    {}
     KOKKOS_FORCEINLINE_FUNCTION void operator+=(ValueType const& rhs) {
-      value += rhs;
+      this->join( this->reference(), rhs );
     }
     KOKKOS_FORCEINLINE_FUNCTION void operator-=(ValueType const& rhs) {
-      value -= rhs;
+      this->join( this->reference(), -rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
     }
-  private:
-    ValueType& value;
 };
 
+/* ScatterValue <Op=ScatterSum, contribution=ScatterAtomic> is the object returned by the access operator() 
+ * of ScatterAccess, similar to that returned by an Atomic View, it wraps Kokkos::atomic_add with convenient
+   operator+=, etc. This version also has the update(rhs) and reset() functions. */
 template <typename ValueType>
-struct ScatterValue<ValueType, Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterAtomic> {
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterAtomic> :
+  Sum<ValueType,Kokkos::DefaultExecutionSpace> {
   public:
-    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : value( value_in ) {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Sum<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+
     KOKKOS_FORCEINLINE_FUNCTION void operator+=(ValueType const& rhs) {
-      Kokkos::atomic_add(&value, rhs);
+     this->join(this->reference(), rhs);
     }
     KOKKOS_FORCEINLINE_FUNCTION void operator-=(ValueType const& rhs) {
-      Kokkos::atomic_add(&value, -rhs);
+      this->join(this->reference(), -rhs);
+    }
+    
+    KOKKOS_INLINE_FUNCTION
+    void join(ValueType& dest, const ValueType& src)  const {
+      Kokkos::atomic_add(&dest, src);
+    }
+
+    KOKKOS_INLINE_FUNCTION
+    void join(volatile ValueType& dest, const volatile ValueType& src) const {
+      Kokkos::atomic_add(&dest, src);
+    } 
+
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+};
+
+/* ScatterValue <Op=ScatterProd, contribution=ScatterNonAtomic> is the object returned by the access operator() of ScatterAccess,
+   This class inherits from the Prod<> reducer and it wraps join(dest, src) with convenient operator*=, etc. 
+   Note the addition of update(ValueType const& rhs) and reset()  so that all reducers can have common functions
+   See ReduceDuplicates and ResetDuplicates ) */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterProd, Kokkos::Experimental::ScatterNonAtomic> :
+  Prod<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Prod<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ScatterValue&& other) : 
+       Prod<ValueType,Kokkos::DefaultExecutionSpace>(other.reference())
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION void operator*=(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void operator/=(ValueType const& rhs) {
+      this->join( this->reference(), static_cast<ValueType>(1)/rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+};
+
+/* ScatterValue <Op=ScatterProd, contribution=ScatterAtomic> is the object returned by the access operator() 
+ * of ScatterAccess, similar to that returned by an Atomic View, it wraps and atomic_prod with convenient
+   operator*=, etc. atomic_prod uses the atomic_compare_exchange. This version also has the update(rhs) and reset() functions. */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterProd, Kokkos::Experimental::ScatterAtomic> :
+  Prod<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Prod<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+
+    KOKKOS_FORCEINLINE_FUNCTION void operator*=(ValueType const& rhs) {
+     this->join(this->reference(), rhs);
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void operator/=(ValueType const& rhs) {
+      this->join(this->reference(), static_cast<ValueType>(1)/rhs);
+    }
+
+    KOKKOS_FORCEINLINE_FUNCTION 
+    void atomic_prod(ValueType & dest, const ValueType& src) const {
+
+        bool success = false;
+        while(!success) {
+            ValueType dest_old = dest;
+            ValueType dest_new = dest_old * src;
+            dest_new = Kokkos::atomic_compare_exchange<ValueType>(&dest,dest_old,dest_new);
+            success = ( (dest_new - dest_old)/dest_old <= 1e-15 );
+        }
+    }
+    
+    KOKKOS_INLINE_FUNCTION
+    void join(ValueType& dest, const ValueType& src)  const {
+      atomic_prod(dest, src);
+    }
+
+    KOKKOS_INLINE_FUNCTION
+    void join(volatile ValueType& dest, const volatile ValueType& src) const {
+      atomic_prod(dest, src);
+    } 
+
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+
+};
+
+/* ScatterValue <Op=ScatterMin, contribution=ScatterNonAtomic> is the object returned by the access operator() of ScatterAccess,
+   This class inherits from the Min<> reducer and it wraps join(dest, src) with convenient update(rhs). 
+   Note the addition of update(ValueType const& rhs) and reset() are so that all reducers can have a common update function
+   See ReduceDuplicates and ResetDuplicates ) */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterMin, Kokkos::Experimental::ScatterNonAtomic> :
+  Min<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Min<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ScatterValue&& other) : 
+       Min<ValueType,Kokkos::DefaultExecutionSpace>(other.reference())
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+};
+
+/* ScatterValue <Op=ScatterMin, contribution=ScatterAtomic> is the object returned by the access operator() 
+ * of ScatterAccess, similar to that returned by an Atomic View, it wraps and atomic_min with the update(rhs)
+   function. atomic_min uses the atomic_compare_exchange. This version also has the reset() function */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterMin, Kokkos::Experimental::ScatterAtomic> :
+  Min<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Min<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+
+    KOKKOS_FORCEINLINE_FUNCTION 
+    void atomic_min(ValueType & dest, const ValueType& src) const {
+
+        bool success = false;
+        while(!success) {
+            ValueType dest_old = dest;
+            ValueType dest_new = ( dest_old > src ) ? src : dest_old;
+            dest_new = Kokkos::atomic_compare_exchange<ValueType>(&dest,dest_old,dest_new);
+            success = ( (dest_new - dest_old)/dest_old <= 1e-15 );
+        }
+    }
+    
+    KOKKOS_INLINE_FUNCTION
+    void join(ValueType& dest, const ValueType& src)  const {
+      atomic_min(dest, src);
+    }
+
+    KOKKOS_INLINE_FUNCTION
+    void join(volatile ValueType& dest, const volatile ValueType& src) const {
+      atomic_min(dest, src);
+    } 
+
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
     }
-  private:
-    ValueType& value;
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+
+};
+
+/* ScatterValue <Op=ScatterMax, contribution=ScatterNonAtomic> is the object returned by the access operataor() of ScatterAccess,
+   This class inherits from the Max<> reducer and it wraps join(dest, src) with convenient update(rhs). 
+   Note the addition of update(ValueType const& rhs) and reset() are so that all reducers can have a common update function
+   See ReduceDuplicates and ResetDuplicates ) */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterMax, Kokkos::Experimental::ScatterNonAtomic> :
+  Max<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Max<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ScatterValue&& other) : 
+       Max<ValueType,Kokkos::DefaultExecutionSpace>(other.reference())
+    {}
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+};
+
+/* ScatterValue <Op=ScatterMax, contribution=ScatterAtomic> is the object returned by the access operator() 
+ * of ScatterAccess, similar to that returned by an Atomic View, it wraps and atomic_max with the update(rhs)
+   function. atomic_max uses the atomic_compare_exchange. This version also has the reset() function  */
+template <typename ValueType>
+struct ScatterValue<ValueType, Kokkos::Experimental::ScatterMax, Kokkos::Experimental::ScatterAtomic> :
+  Max<ValueType,Kokkos::DefaultExecutionSpace> {
+  public:
+    KOKKOS_FORCEINLINE_FUNCTION ScatterValue(ValueType& value_in) : 
+       Max<ValueType,Kokkos::DefaultExecutionSpace>(value_in)
+    {}
+
+    KOKKOS_FORCEINLINE_FUNCTION 
+    void atomic_max(ValueType & dest, const ValueType& src) const {
+
+        bool success = false;
+        while(!success) {
+            ValueType dest_old = dest;
+            ValueType dest_new = ( dest_old < src ) ? src : dest_old;
+            dest_new = Kokkos::atomic_compare_exchange<ValueType>(&dest,dest_old,dest_new);
+            success = ( (dest_new - dest_old)/dest_old <= 1e-15 );
+        }
+    }
+    
+    KOKKOS_INLINE_FUNCTION
+    void join(ValueType& dest, const ValueType& src)  const {
+      atomic_max(dest, src);
+    }
+
+    KOKKOS_INLINE_FUNCTION
+    void join(volatile ValueType& dest, const volatile ValueType& src) const {
+      atomic_max(dest, src);
+    } 
+
+    KOKKOS_FORCEINLINE_FUNCTION void update(ValueType const& rhs) {
+      this->join( this->reference(), rhs );
+    }
+    KOKKOS_FORCEINLINE_FUNCTION void reset() {
+      this->init( this->reference() );
+    }
+
 };
 
 /* DuplicatedDataType, given a View DataType, will create a new DataType
@@ -226,6 +486,18 @@ struct DuplicatedDataType<T*, Kokkos::LayoutLeft> {
   typedef typename DuplicatedDataType<T, Kokkos::LayoutLeft>::value_type* value_type;
 };
 
+/* Insert integer argument pack into array */
+
+template<class T>
+void args_to_array(size_t* array, int pos, T dim0) {
+  array[pos] = dim0;
+}
+template<class T, class ... Dims>
+void args_to_array(size_t* array, int pos, T dim0, Dims ... dims) {
+  array[pos] = dim0;
+  args_to_array(array,pos+1,dims...);
+}
+
 /* Slice is just responsible for stuffing the correct number of Kokkos::ALL
    arguments on the correct side of the index in a call to subview() to get a
    subview where the index specified is the largest-stride one. */
@@ -304,21 +576,26 @@ struct ReduceDuplicatesBase {
   }
 };
 
-template <typename ExecSpace, typename ValueType>
-struct ReduceDuplicates<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum> :
-  public ReduceDuplicatesBase<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum>
+/* ReduceDuplicates -- Perform reduction on destination array using strided source 
+ *    Use ScatterValue<> specific to operation to wrap destination array so that
+ *    the reduction operation can be accessed via the update(rhs) function */
+template <typename ExecSpace, typename ValueType, int Op>
+struct ReduceDuplicates :
+  public ReduceDuplicatesBase<ExecSpace, ValueType, Op>
 {
-  typedef ReduceDuplicatesBase<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum> Base;
+  typedef ReduceDuplicatesBase<ExecSpace, ValueType, Op> Base;
   ReduceDuplicates(ValueType const* src_in, ValueType* dst_in, size_t stride_in, size_t start_in, size_t n_in, std::string const& name):
     Base(src_in, dst_in, stride_in, start_in, n_in, name)
   {}
   KOKKOS_FORCEINLINE_FUNCTION void operator()(size_t i) const {
     for (size_t j = Base::start; j < Base::n; ++j) {
-      Base::dst[i] += Base::src[i + Base::stride * j];
+      ScatterValue<ValueType, Op, Kokkos::Experimental::ScatterNonAtomic> sv(Base::dst[i]);
+      sv.update( Base::src[i + Base::stride * j] );
     }
   }
 };
 
+
 template <typename ExecSpace, typename ValueType, int Op>
 struct ResetDuplicates;
 
@@ -347,19 +624,24 @@ struct ResetDuplicatesBase {
   }
 };
 
-template <typename ExecSpace, typename ValueType>
-struct ResetDuplicates<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum> :
-  public ResetDuplicatesBase<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum>
+/* ResetDuplicates -- Perform reset on destination array
+ *    Use ScatterValue<> specific to operation to wrap destination array so that
+ *    the reset operation can be accessed via the reset() function */
+template <typename ExecSpace, typename ValueType, int Op>
+struct ResetDuplicates :
+  public ResetDuplicatesBase<ExecSpace, ValueType, Op>
 {
-  typedef ResetDuplicatesBase<ExecSpace, ValueType, Kokkos::Experimental::ScatterSum> Base;
+  typedef ResetDuplicatesBase<ExecSpace, ValueType, Op> Base;
   ResetDuplicates(ValueType* data_in, size_t size_in, std::string const& name):
     Base(data_in, size_in, name)
   {}
   KOKKOS_FORCEINLINE_FUNCTION void operator()(size_t i) const {
-    Base::data[i] = Kokkos::reduction_identity<ValueType>::sum();
+    ScatterValue<ValueType, Op, Kokkos::Experimental::ScatterNonAtomic> sv(Base::data[i]);
+    sv.reset();
   }
 };
 
+
 }}} // Kokkos::Impl::Experimental
 
 namespace Kokkos {
@@ -519,12 +801,22 @@ public:
   typedef Kokkos::Impl::Experimental::ScatterValue<
       original_value_type, Op, override_contribution> value_type;
 
+  KOKKOS_INLINE_FUNCTION
+  ScatterAccess() :
+    view(view_type())  {
+  }
+
   KOKKOS_INLINE_FUNCTION
   ScatterAccess(view_type const& view_in)
     : view(view_in)
   {
   }
 
+  KOKKOS_INLINE_FUNCTION
+  ~ScatterAccess()
+  {
+  }
+
   template <typename ... Args>
   KOKKOS_FORCEINLINE_FUNCTION
   value_type operator()(Args ... args) const {
@@ -608,7 +900,7 @@ public:
   }
 
   template <int override_contribution = contribution>
-  inline
+  KOKKOS_FORCEINLINE_FUNCTION
   ScatterAccess<DataType, Op, ExecSpace, Kokkos::LayoutRight, ScatterDuplicated, contribution, override_contribution>
   access() const {
     return ScatterAccess<DataType, Op, ExecSpace, Kokkos::LayoutRight, ScatterDuplicated, contribution, override_contribution>{*this};
@@ -729,14 +1021,14 @@ public:
   : unique_token()
   {
     size_t arg_N[8] = {
-      original_view.extent(0),
-      original_view.extent(1),
-      original_view.extent(2),
-      original_view.extent(3),
-      original_view.extent(4),
-      original_view.extent(5),
-      original_view.extent(6),
-      0
+      original_view.rank>0?original_view.extent(0):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>1?original_view.extent(1):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>2?original_view.extent(2):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>3?original_view.extent(3):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>4?original_view.extent(4):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>5?original_view.extent(5):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>6?original_view.extent(6):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      KOKKOS_IMPL_CTOR_DEFAULT_ARG
     };
     arg_N[internal_view_type::rank - 1] = unique_token.size();
     internal_view = internal_view_type(
@@ -748,14 +1040,28 @@ public:
   }
 
   template <typename ... Dims>
-  ScatterView(std::string const& name, Dims ... dims)
-  : internal_view(Kokkos::ViewAllocateWithoutInitializing(name), dims ..., unique_token.size())
-  {
+  ScatterView(std::string const& name, Dims ... dims) {
+    original_view_type original_view;
+    size_t arg_N[8] = {
+      original_view.rank>0?original_view.static_extent(0):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>1?original_view.static_extent(1):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>2?original_view.static_extent(2):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>3?original_view.static_extent(3):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>4?original_view.static_extent(4):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>5?original_view.static_extent(5):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      original_view.rank>6?original_view.static_extent(6):KOKKOS_IMPL_CTOR_DEFAULT_ARG,
+      KOKKOS_IMPL_CTOR_DEFAULT_ARG
+    };
+    Kokkos::Impl::Experimental::args_to_array(arg_N,0,dims ...);
+    arg_N[internal_view_type::rank - 1] = unique_token.size();
+    internal_view = internal_view_type(Kokkos::ViewAllocateWithoutInitializing(name),
+     arg_N[0], arg_N[1], arg_N[2], arg_N[3],
+     arg_N[4], arg_N[5], arg_N[6], arg_N[7]);
     reset();
   }
 
   template <int override_contribution = contribution>
-  inline
+  KOKKOS_FORCEINLINE_FUNCTION
   ScatterAccess<DataType, Op, ExecSpace, Kokkos::LayoutLeft, ScatterDuplicated, contribution, override_contribution>
   access() const {
     return ScatterAccess<DataType, Op, ExecSpace, Kokkos::LayoutLeft, ScatterDuplicated, contribution, override_contribution>{*this};
@@ -770,9 +1076,13 @@ public:
   }
 
   template <typename ... RP>
-  void contribute_into(View<DataType, RP...> const& dest) const
+  void contribute_into(View<RP...> const& dest) const
   {
-    typedef View<DataType, RP...> dest_type;
+    typedef View<RP...> dest_type;
+    static_assert(std::is_same<
+        typename dest_type::value_type,
+        typename original_view_type::non_const_value_type>::value,
+        "ScatterView deep_copy destination has wrong value_type");
     static_assert(std::is_same<
         typename dest_type::array_layout,
         Kokkos::LayoutLeft>::value,
@@ -891,12 +1201,14 @@ public:
   typedef Kokkos::Impl::Experimental::ScatterValue<
       original_value_type, Op, override_contribution> value_type;
 
-  inline ScatterAccess(view_type const& view_in)
+  KOKKOS_FORCEINLINE_FUNCTION
+  ScatterAccess(view_type const& view_in)
     : view(view_in)
     , thread_id(view_in.unique_token.acquire()) {
   }
 
-  inline ~ScatterAccess() {
+  KOKKOS_FORCEINLINE_FUNCTION
+  ~ScatterAccess() {
     if (thread_id != ~thread_id_type(0)) view.unique_token.release(thread_id);
   }
 
@@ -926,8 +1238,9 @@ private:
 public:
   // do need to allow moves though, for the common
   // auto b = a.access();
-  // that assignments turns into a move constructor call 
-  inline ScatterAccess(ScatterAccess&& other)
+  // that assignments turns into a move constructor call  
+  KOKKOS_FORCEINLINE_FUNCTION
+  ScatterAccess(ScatterAccess&& other)
     : view(other.view)
     , thread_id(other.thread_id)
   {
diff --git a/lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp b/lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp
index 64601e6b5989678f6dcf24ef704f9e0ca9a6452a..aed723288f9fa9616b8f93bb377a091d0aa214de 100644
--- a/lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp
+++ b/lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp
@@ -437,9 +437,9 @@ public:
   {
     bool result = !erasable();
     if (is_insertable_map && result) {
-      execution_space::fence();
+      execution_space().fence();
       set_flag(erasable_idx);
-      execution_space::fence();
+      execution_space().fence();
     }
     return result;
   }
@@ -448,10 +448,10 @@ public:
   {
     bool result = erasable();
     if (is_insertable_map && result) {
-      execution_space::fence();
+      execution_space().fence();
       Impl::UnorderedMapErase<declared_map_type> f(*this);
       f.apply();
-      execution_space::fence();
+      execution_space().fence();
       reset_flag(erasable_idx);
     }
     return result;
diff --git a/lib/kokkos/containers/src/Kokkos_Vector.hpp b/lib/kokkos/containers/src/Kokkos_Vector.hpp
index 76c515941e8d0a04bb2491bceec5caf14de56ec3..9b151d9505a29a38eaaba2dc6698dc992db97101 100644
--- a/lib/kokkos/containers/src/Kokkos_Vector.hpp
+++ b/lib/kokkos/containers/src/Kokkos_Vector.hpp
@@ -121,12 +121,12 @@ public:
     if( DV::template need_sync<typename DV::t_dev::device_type>() ) {
       set_functor_host f(DV::h_view,val);
       parallel_for(n,f);
-      DV::t_host::execution_space::fence();
+      typename DV::t_host::execution_space().fence();
       DV::template modify<typename DV::t_host::device_type>();
     } else {
       set_functor f(DV::d_view,val);
       parallel_for(n,f);
-      DV::t_dev::execution_space::fence();
+      typename DV::t_dev::execution_space().fence();
       DV::template modify<typename DV::t_dev::device_type>();
     }
   }
diff --git a/lib/kokkos/containers/unit_tests/CMakeLists.txt b/lib/kokkos/containers/unit_tests/CMakeLists.txt
index 0f94afec8c2aba5cee8a69bd8fcd0b7d661fd6ef..8564bd9ddd652af73d834dd784fd3598b9801f56 100644
--- a/lib/kokkos/containers/unit_tests/CMakeLists.txt
+++ b/lib/kokkos/containers/unit_tests/CMakeLists.txt
@@ -86,6 +86,31 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
   )
 ENDIF()
 
+IF(Kokkos_ENABLE_HPX)
+TRIBITS_ADD_EXECUTABLE_AND_TEST(
+  UnitTest_HPX
+  SOURCES
+    UnitTestMain.cpp
+    hpx/TestHPX_BitSet.cpp
+    hpx/TestHPX_DualView.cpp
+    hpx/TestHPX_DynamicView.cpp
+    hpx/TestHPX_DynRankViewAPI_generic.cpp
+    hpx/TestHPX_DynRankViewAPI_rank12345.cpp
+    hpx/TestHPX_DynRankViewAPI_rank67.cpp
+    hpx/TestHPX_ErrorReporter.cpp
+    hpx/TestHPX_OffsetView.cpp
+    hpx/TestHPX_ScatterView.cpp
+    hpx/TestHPX_StaticCrsGraph.cpp
+    hpx/TestHPX_UnorderedMap.cpp
+    hpx/TestHPX_Vector.cpp
+    hpx/TestHPX_ViewCtorPropEmbeddedDim.cpp
+  COMM serial mpi
+  NUM_MPI_PROCS 1
+  FAIL_REGULAR_EXPRESSION "  FAILED  "
+  TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+  )
+ENDIF()
+
 IF(Kokkos_ENABLE_Cuda)
 TRIBITS_ADD_EXECUTABLE_AND_TEST(
   UnitTest_Cuda
diff --git a/lib/kokkos/containers/unit_tests/Makefile b/lib/kokkos/containers/unit_tests/Makefile
index c0e5d2820cf8a23a42759c522db5f2d70a6aa2a7..a7e0233f8a58790bcd8f845a314703d0f2b6e2f5 100644
--- a/lib/kokkos/containers/unit_tests/Makefile
+++ b/lib/kokkos/containers/unit_tests/Makefile
@@ -4,6 +4,7 @@ GTEST_PATH = ../../TPL/gtest
 
 vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests
 vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests/openmp
+vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests/hpx
 vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests/serial
 vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests/threads
 vpath %.cpp ${KOKKOS_PATH}/containers/unit_tests/rocm
@@ -106,6 +107,25 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	TEST_TARGETS += test-openmp
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+	OBJ_HPX = UnitTestMain.o gtest-all.o
+	OBJ_HPX += TestHPX_BitSet.o
+	OBJ_HPX += TestHPX_DualView.o
+	OBJ_HPX += TestHPX_DynamicView.o
+	OBJ_HPX += TestHPX_DynRankViewAPI_generic.o
+	OBJ_HPX += TestHPX_DynRankViewAPI_rank12345.o
+	OBJ_HPX += TestHPX_DynRankViewAPI_rank67.o
+	OBJ_HPX += TestHPX_ErrorReporter.o
+	OBJ_HPX += TestHPX_OffsetView.o
+	OBJ_HPX += TestHPX_ScatterView.o
+	OBJ_HPX += TestHPX_StaticCrsGraph.o
+	OBJ_HPX += TestHPX_UnorderedMap.o
+	OBJ_HPX += TestHPX_Vector.o
+	OBJ_HPX += TestHPX_ViewCtorPropEmbeddedDim.o
+	TARGETS += KokkosContainers_UnitTest_HPX
+	TEST_TARGETS += test-hpx
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
 	OBJ_SERIAL = UnitTestMain.o gtest-all.o
 	OBJ_SERIAL += TestSerial_BitSet.o
@@ -137,6 +157,9 @@ KokkosContainers_UnitTest_Threads: $(OBJ_THREADS) $(KOKKOS_LINK_DEPENDS)
 KokkosContainers_UnitTest_OpenMP: $(OBJ_OPENMP) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_OPENMP) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosContainers_UnitTest_OpenMP
 
+KokkosContainers_UnitTest_HPX: $(OBJ_HPX) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) $(OBJ_HPX) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosContainers_UnitTest_HPX
+
 KokkosContainers_UnitTest_Serial: $(OBJ_SERIAL) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_SERIAL) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosContainers_UnitTest_Serial
 
@@ -152,6 +175,9 @@ test-threads: KokkosContainers_UnitTest_Threads
 test-openmp: KokkosContainers_UnitTest_OpenMP
 	./KokkosContainers_UnitTest_OpenMP
 
+test-hpx: KokkosContainers_UnitTest_HPX
+	./KokkosContainers_UnitTest_HPX
+
 test-serial: KokkosContainers_UnitTest_Serial
 	./KokkosContainers_UnitTest_Serial
 
diff --git a/lib/kokkos/containers/unit_tests/TestBitset.hpp b/lib/kokkos/containers/unit_tests/TestBitset.hpp
index 6200124644e2121d00268320fcd79956e6eea7e1..371c0288b1a2840bd4270f0fdea9d70da66fc82c 100644
--- a/lib/kokkos/containers/unit_tests/TestBitset.hpp
+++ b/lib/kokkos/containers/unit_tests/TestBitset.hpp
@@ -66,7 +66,7 @@ struct TestBitset
 
   unsigned testit(unsigned collisions)
   {
-    execution_space::fence();
+    execution_space().fence();
 
     unsigned count = 0;
     Kokkos::parallel_reduce( m_bitset.size()*collisions, *this, count);
@@ -114,7 +114,7 @@ struct TestBitsetTest
 
   unsigned testit()
   {
-    execution_space::fence();
+    execution_space().fence();
 
     unsigned count = 0;
     Kokkos::parallel_reduce( m_bitset.size(), *this, count);
@@ -151,7 +151,7 @@ struct TestBitsetAny
 
   unsigned testit()
   {
-    execution_space::fence();
+    execution_space().fence();
 
     unsigned count = 0;
     Kokkos::parallel_reduce( m_bitset.size(), *this, count);
diff --git a/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp b/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
index 6684a55452934a0d460279f34513bd1b20211ed5..13e56c9f8d7a47f17c9f75ab5076bd039fc091bd 100644
--- a/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
+++ b/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
@@ -1276,6 +1276,7 @@ public:
       Kokkos::deep_copy( dx , hx );
       Kokkos::deep_copy( dy , dx );
       Kokkos::deep_copy( hy , dy );
+      Kokkos::fence();
 
       for ( size_t ip = 0 ; ip < N0 ; ++ip ) {
       for ( size_t i1 = 0 ; i1 < N1 ; ++i1 ) {
@@ -1286,6 +1287,7 @@ public:
 
       Kokkos::deep_copy( dx , T(0) );
       Kokkos::deep_copy( hx , dx );
+      Kokkos::fence();
 
       for ( size_t ip = 0 ; ip < N0 ; ++ip ) {
       for ( size_t i1 = 0 ; i1 < N1 ; ++i1 ) {
diff --git a/lib/kokkos/containers/unit_tests/TestErrorReporter.hpp b/lib/kokkos/containers/unit_tests/TestErrorReporter.hpp
index ecb7542232c917202dfa0006a52ec4f29499c014..7e48089b432f5133ab8961ac2a2ed9b7ddc38317 100644
--- a/lib/kokkos/containers/unit_tests/TestErrorReporter.hpp
+++ b/lib/kokkos/containers/unit_tests/TestErrorReporter.hpp
@@ -162,6 +162,7 @@ struct ErrorReporterDriver : public ErrorReporterDriverBase<DeviceType>
   void execute(int reporter_capacity, int test_size)
   {
     Kokkos::parallel_for(Kokkos::RangePolicy<execution_space>(0,test_size), *this);
+    Kokkos::fence();
     driver_base::check_expectations(reporter_capacity, test_size);
   }
 
@@ -194,6 +195,7 @@ struct ErrorReporterDriverUseLambda : public ErrorReporterDriverBase<DeviceType>
         driver_base::m_errorReporter.add_report(work_idx, report);
       }
     });
+    Kokkos::fence();
     driver_base::check_expectations(reporter_capacity, test_size);
   }
 
diff --git a/lib/kokkos/containers/unit_tests/TestScatterView.hpp b/lib/kokkos/containers/unit_tests/TestScatterView.hpp
index d402a91b9f6dbc05cdcc8a8b0d79dc48b802b329..a9d97b32f39f1e150dea8fa2d1784de9b1660e2f 100644
--- a/lib/kokkos/containers/unit_tests/TestScatterView.hpp
+++ b/lib/kokkos/containers/unit_tests/TestScatterView.hpp
@@ -48,79 +48,387 @@
 
 namespace Test {
 
+template <typename ExecSpace, typename Layout, int duplication, int contribution, int op>
+struct test_scatter_view_impl_cls;
+
 template <typename ExecSpace, typename Layout, int duplication, int contribution>
-void test_scatter_view_config(int n)
+struct test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, Kokkos::Experimental::ScatterSum>   
 {
-  Kokkos::View<double *[3], Layout, ExecSpace> original_view("original_view", n);
-  {
-    auto scatter_view = Kokkos::Experimental::create_scatter_view
-      < Kokkos::Experimental::ScatterSum
-      , duplication
-      , contribution
-      > (original_view);
-#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
-    auto policy = Kokkos::RangePolicy<ExecSpace, int>(0, n);
-    auto f = KOKKOS_LAMBDA(int i) {
+public:   
+
+   typedef Kokkos::Experimental::ScatterView
+       < double*[3]
+       , Layout
+       , ExecSpace
+       , Kokkos::Experimental::ScatterSum
+       , duplication
+       , contribution
+        > scatter_view_type;
+
+   typedef Kokkos::View<double *[3], Layout, ExecSpace> orig_view_type; 
+
+
+   scatter_view_type scatter_view;
+   int scatterSize;
+
+   test_scatter_view_impl_cls(const scatter_view_type& view){
+      scatter_view = view;
+      scatterSize = 0;
+   }
+
+   void initialize(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        host_view(i, 0) = 0.0;
+        host_view(i, 1) = 0.0;
+        host_view(i, 2) = 0.0;
+      }
+      Kokkos::fence();
+      Kokkos::deep_copy(orig, host_view);
+   }
+
+   void run_parallel(int n) {
+        scatterSize = n;
+        auto policy = Kokkos::RangePolicy<ExecSpace, int>(0, n);
+        Kokkos::parallel_for(policy, *this, "scatter_view_test: Sum");
+   }
+
+   KOKKOS_INLINE_FUNCTION
+   void operator()(int i) const {
       auto scatter_access = scatter_view.access();
       auto scatter_access_atomic = scatter_view.template access<Kokkos::Experimental::ScatterAtomic>();
       for (int j = 0; j < 10; ++j) {
-        auto k = (i + j) % n;
+        auto k = (i + j) % scatterSize;
         scatter_access(k, 0) += 4.2;
         scatter_access_atomic(k, 1) += 2.0;
         scatter_access(k, 2) += 1.0;
       }
-    };
-    Kokkos::parallel_for(policy, f, "scatter_view_test");
-#endif
-    Kokkos::Experimental::contribute(original_view, scatter_view);
-    scatter_view.reset_except(original_view);
-#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
-    Kokkos::parallel_for(policy, f, "scatter_view_test");
-#endif
-    Kokkos::Experimental::contribute(original_view, scatter_view);
-  }
-#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
-  Kokkos::fence();
-  auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), original_view);
-  Kokkos::fence();
-  for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
-    auto val0 = host_view(i, 0);
-    auto val1 = host_view(i, 1);
-    auto val2 = host_view(i, 2);
-    EXPECT_TRUE(std::fabs((val0 - 84.0) / 84.0) < 1e-15);
-    EXPECT_TRUE(std::fabs((val1 - 40.0) / 40.0) < 1e-15);
-    EXPECT_TRUE(std::fabs((val2 - 20.0) / 20.0) < 1e-15);
-  }
-#endif
-  {
-    Kokkos::Experimental::ScatterView
-      < double*[3]
-      , Layout
-      , ExecSpace
-      , Kokkos::Experimental::ScatterSum
-      , duplication
-      , contribution
-      >
-      persistent_view("persistent", n);
-    auto result_view = persistent_view.subview();
-    contribute(result_view, persistent_view);
-  }
-}
+    }
+
+    void validateResults(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        auto val0 = host_view(i, 0);
+        auto val1 = host_view(i, 1);
+        auto val2 = host_view(i, 2);
+        EXPECT_TRUE(std::fabs((val0 - 84.0) / 84.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val1 - 40.0) / 40.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val2 - 20.0) / 20.0) < 1e-14);
+      }
+    }
+};
+
+
+template <typename ExecSpace, typename Layout, int duplication, int contribution>
+struct test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, Kokkos::Experimental::ScatterProd>   
+{
+public:   
+
+   typedef Kokkos::Experimental::ScatterView
+       < double*[3]
+       , Layout
+       , ExecSpace
+       , Kokkos::Experimental::ScatterProd
+       , duplication
+       , contribution
+        > scatter_view_type;
+
+   typedef Kokkos::View<double *[3], Layout, ExecSpace> orig_view_type; 
+
+
+   scatter_view_type scatter_view;
+   int scatterSize;
+
+   test_scatter_view_impl_cls(const scatter_view_type& view){
+      scatter_view = view;
+      scatterSize = 0;
+   }
+
+   void initialize(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        host_view(i, 0) = 1.0;
+        host_view(i, 1) = 1.0;
+        host_view(i, 2) = 1.0;
+      }
+      Kokkos::fence();
+      Kokkos::deep_copy(orig, host_view);
+   }
+
+   void run_parallel(int n) {
+        scatterSize = n;
+        auto policy = Kokkos::RangePolicy<ExecSpace, int>(0, n);
+        Kokkos::parallel_for(policy, *this, "scatter_view_test: Prod");
+   }
+
+   KOKKOS_INLINE_FUNCTION
+   void operator()(int i) const {
+      auto scatter_access = scatter_view.access();
+      auto scatter_access_atomic = scatter_view.template access<Kokkos::Experimental::ScatterAtomic>();
+      for (int j = 0; j < 4; ++j) {
+        auto k = (i + j) % scatterSize;
+        scatter_access(k, 0) *= 4.0;
+        scatter_access_atomic(k, 1) *= 2.0;
+        scatter_access(k, 2) *= 1.0;
+      }
+    }
+
+    void validateResults(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        auto val0 = host_view(i, 0);
+        auto val1 = host_view(i, 1);
+        auto val2 = host_view(i, 2);
+        EXPECT_TRUE(std::fabs((val0 - 65536.0) / 65536.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val1 - 256.0) / 256.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val2 - 1.0) / 1.0) < 1e-14);
+      }
+    }
+};
+
+
+template <typename ExecSpace, typename Layout, int duplication, int contribution>
+struct test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, Kokkos::Experimental::ScatterMin>   
+{
+public:   
+
+   typedef Kokkos::Experimental::ScatterView
+       < double*[3]
+       , Layout
+       , ExecSpace
+       , Kokkos::Experimental::ScatterMin
+       , duplication
+       , contribution
+        > scatter_view_type;
+
+   typedef Kokkos::View<double *[3], Layout, ExecSpace> orig_view_type; 
+
+
+   scatter_view_type scatter_view;
+   int scatterSize;
+
+   test_scatter_view_impl_cls(const scatter_view_type& view){
+      scatter_view = view;
+      scatterSize = 0;
+   }
+
+   void initialize(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        host_view(i, 0) = 999999.0;
+        host_view(i, 1) = 999999.0;
+        host_view(i, 2) = 999999.0;
+      }
+      Kokkos::fence();
+      Kokkos::deep_copy(orig, host_view);
+   }
 
-template <typename ExecSpace>
+   void run_parallel(int n) {
+        scatterSize = n;
+        auto policy = Kokkos::RangePolicy<ExecSpace, int>(0, n);
+        Kokkos::parallel_for(policy, *this, "scatter_view_test: Prod");
+   }
+
+   KOKKOS_INLINE_FUNCTION
+   void operator()(int i) const {
+      auto scatter_access = scatter_view.access();
+      auto scatter_access_atomic = scatter_view.template access<Kokkos::Experimental::ScatterAtomic>();
+      for (int j = 0; j < 4; ++j) {
+        auto k = (i + j) % scatterSize;
+        scatter_access(k, 0).update((double)(j+1)*4);
+        scatter_access_atomic(k, 1).update((double)(j+1)*2.0);
+        scatter_access(k, 2).update((double)(j+1)*1.0);
+      }
+    }
+
+    void validateResults(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        auto val0 = host_view(i, 0);
+        auto val1 = host_view(i, 1);
+        auto val2 = host_view(i, 2);
+        EXPECT_TRUE(std::fabs((val0 - 4.0) / 4.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val1 - 2.0) / 2.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val2 - 1.0) / 1.0) < 1e-14);
+      }
+    }
+};
+
+
+template <typename ExecSpace, typename Layout, int duplication, int contribution>
+struct test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, Kokkos::Experimental::ScatterMax>   
+{
+public:   
+
+   typedef Kokkos::Experimental::ScatterView
+       < double*[3]
+       , Layout
+       , ExecSpace
+       , Kokkos::Experimental::ScatterMax
+       , duplication
+       , contribution
+        > scatter_view_type;
+
+   typedef Kokkos::View<double *[3], Layout, ExecSpace> orig_view_type; 
+
+
+   scatter_view_type scatter_view;
+   int scatterSize;
+
+   test_scatter_view_impl_cls(const scatter_view_type& view){
+      scatter_view = view;
+      scatterSize = 0;
+   }
+
+   void initialize(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        host_view(i, 0) = 0.0;
+        host_view(i, 1) = 0.0;
+        host_view(i, 2) = 0.0;
+      }
+      Kokkos::fence();
+      Kokkos::deep_copy(orig, host_view);
+   }
+
+   void run_parallel(int n) {
+        scatterSize = n;
+        auto policy = Kokkos::RangePolicy<ExecSpace, int>(0, n);
+        Kokkos::parallel_for(policy, *this, "scatter_view_test: Prod");
+   }
+
+   KOKKOS_INLINE_FUNCTION
+   void operator()(int i) const {
+      auto scatter_access = scatter_view.access();
+      auto scatter_access_atomic = scatter_view.template access<Kokkos::Experimental::ScatterAtomic>();
+      for (int j = 0; j < 4; ++j) {
+        auto k = (i + j) % scatterSize;
+        scatter_access(k, 0).update((double)(j+1)*4);
+        scatter_access_atomic(k, 1).update((double)(j+1)*2.0);
+        scatter_access(k, 2).update((double)(j+1)*1.0);
+      }
+    }
+
+    void validateResults(orig_view_type orig) {
+      auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), orig);
+      Kokkos::fence();
+      for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
+        auto val0 = host_view(i, 0);
+        auto val1 = host_view(i, 1);
+        auto val2 = host_view(i, 2);
+        EXPECT_TRUE(std::fabs((val0 - 16.0) / 16.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val1 - 8.0) / 8.0) < 1e-14);
+        EXPECT_TRUE(std::fabs((val2 - 4.0) / 4.0) < 1e-14);
+      }
+    }
+};
+
+
+
+template <typename ExecSpace, typename Layout, int duplication, int contribution, int op>
+struct test_scatter_view_config
+{
+ public:
+   typedef typename test_scatter_view_impl_cls<ExecSpace, Layout, 
+         duplication, contribution, op>::scatter_view_type scatter_view_def;
+   typedef typename test_scatter_view_impl_cls<ExecSpace, Layout, 
+         duplication, contribution, op>::orig_view_type orig_view_def;
+
+   test_scatter_view_config() {
+   }
+
+   void run_test(int n)
+   {
+     //Test creation via create_scatter_view
+     {
+     orig_view_def original_view("original_view", n);
+     scatter_view_def scatter_view = Kokkos::Experimental::create_scatter_view
+       < op
+       , duplication
+       , contribution
+       > (original_view);
+
+     test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, op> scatter_view_test_impl(scatter_view);
+     scatter_view_test_impl.initialize(original_view);
+     scatter_view_test_impl.run_parallel(n);
+
+     Kokkos::Experimental::contribute(original_view, scatter_view);
+     scatter_view.reset_except(original_view);
+
+     scatter_view_test_impl.run_parallel(n);
+
+     Kokkos::Experimental::contribute(original_view, scatter_view);
+     Kokkos::fence();
+
+     scatter_view_test_impl.validateResults(original_view);
+
+     {
+        scatter_view_def persistent_view("persistent", n);
+        auto result_view = persistent_view.subview();
+        contribute(result_view, persistent_view);
+        Kokkos::fence();
+     }
+     }
+     //Test creation via constructor
+     {
+     orig_view_def original_view("original_view", n);
+     scatter_view_def scatter_view(original_view);
+
+     test_scatter_view_impl_cls<ExecSpace, Layout, duplication, contribution, op> scatter_view_test_impl(scatter_view);
+     scatter_view_test_impl.initialize(original_view);
+     scatter_view_test_impl.run_parallel(n);
+
+     Kokkos::Experimental::contribute(original_view, scatter_view);
+     scatter_view.reset_except(original_view);
+
+     scatter_view_test_impl.run_parallel(n);
+
+     Kokkos::Experimental::contribute(original_view, scatter_view);
+     Kokkos::fence();
+
+     scatter_view_test_impl.validateResults(original_view);
+
+     {
+        scatter_view_def persistent_view("persistent", n);
+        auto result_view = persistent_view.subview();
+        contribute(result_view, persistent_view);
+        Kokkos::fence();
+     }
+     }
+   }
+
+};
+
+
+template <typename ExecSpace, int ScatterType>
 struct TestDuplicatedScatterView {
   TestDuplicatedScatterView(int n) {
+    // ScatterSum test
     test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
       Kokkos::Experimental::ScatterDuplicated,
-      Kokkos::Experimental::ScatterNonAtomic>(n);
+      Kokkos::Experimental::ScatterNonAtomic,
+      ScatterType> test_sv_right_config;
+    test_sv_right_config.run_test(n);
+    test_scatter_view_config<ExecSpace, Kokkos::LayoutLeft,
+      Kokkos::Experimental::ScatterDuplicated,
+      Kokkos::Experimental::ScatterNonAtomic,
+      ScatterType> test_sv_left_config;
+    test_sv_left_config.run_test(n);
   }
 };
 
 #ifdef KOKKOS_ENABLE_CUDA
 // disable duplicated instantiation with CUDA until
 // UniqueToken can support it
-template <>
-struct TestDuplicatedScatterView<Kokkos::Cuda> {
+template <int ScatterType>
+struct TestDuplicatedScatterView<Kokkos::Cuda, ScatterType> {
   TestDuplicatedScatterView(int) {
   }
 };
@@ -129,14 +437,14 @@ struct TestDuplicatedScatterView<Kokkos::Cuda> {
 #ifdef KOKKOS_ENABLE_ROCM
 // disable duplicated instantiation with ROCm until
 // UniqueToken can support it
-template <>
-struct TestDuplicatedScatterView<Kokkos::Experimental::ROCm> {
+template <int ScatterType>
+struct TestDuplicatedScatterView<Kokkos::Experimental::ROCm, ScatterType> {
   TestDuplicatedScatterView(int) {
   }
 };
 #endif
 
-template <typename ExecSpace>
+template <typename ExecSpace, int ScatterType>
 void test_scatter_view(int n)
 {
   // all of these configurations should compile okay, but only some of them are
@@ -149,29 +457,47 @@ void test_scatter_view(int n)
   if (unique_token.size() == 1) {
     test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
       Kokkos::Experimental::ScatterNonDuplicated,
-      Kokkos::Experimental::ScatterNonAtomic>(n);
+      Kokkos::Experimental::ScatterNonAtomic,
+      ScatterType> test_sv_config;
+    test_sv_config.run_test(n);
   }
 #ifdef KOKKOS_ENABLE_SERIAL
   if (!std::is_same<ExecSpace, Kokkos::Serial>::value) {
 #endif
   test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
     Kokkos::Experimental::ScatterNonDuplicated,
-    Kokkos::Experimental::ScatterAtomic>(n);
+    Kokkos::Experimental::ScatterAtomic,
+    ScatterType> test_sv_config;
+  test_sv_config.run_test(n);
 #ifdef KOKKOS_ENABLE_SERIAL
   }
 #endif
-
-  TestDuplicatedScatterView<ExecSpace> duptest(n);
+  // with hundreds of threads we were running out of memory.
+  // limit (n) so that duplication doesn't exceed 8GB
+  constexpr std::size_t maximum_allowed_total_bytes = 8ull * 1024ull * 1024ull * 1024ull;
+  std::size_t const maximum_allowed_copy_bytes = maximum_allowed_total_bytes / std::size_t(unique_token.size());
+  constexpr std::size_t bytes_per_value = sizeof(double) * 3;
+  std::size_t const maximum_allowed_copy_values = maximum_allowed_copy_bytes / bytes_per_value;
+  n = std::min(n, int(maximum_allowed_copy_values));
+  TestDuplicatedScatterView<ExecSpace, ScatterType> duptest(n);
 }
 
 TEST_F( TEST_CATEGORY, scatterview) {
 #ifndef KOKKOS_ENABLE_ROCM
-  test_scatter_view<TEST_EXECSPACE>(10);
+  test_scatter_view<TEST_EXECSPACE, Kokkos::Experimental::ScatterSum>(10);
+  test_scatter_view<TEST_EXECSPACE, Kokkos::Experimental::ScatterProd>(10);
+  test_scatter_view<TEST_EXECSPACE, Kokkos::Experimental::ScatterMin>(10);
+  test_scatter_view<TEST_EXECSPACE, Kokkos::Experimental::ScatterMax>(10);
+  // tests were timing out in DEBUG mode, reduce the amount of work
 #ifdef KOKKOS_ENABLE_DEBUG
-  test_scatter_view<TEST_EXECSPACE>(100000);
+  int big_n = 100 * 1000;
 #else
-  test_scatter_view<TEST_EXECSPACE>(10000000);
+  int big_n = 10 * 1000 * 1000;
 #endif
+  test_scatter_view<TEST_EXECSPACE,Kokkos::Experimental::ScatterSum>(big_n);
+  test_scatter_view<TEST_EXECSPACE,Kokkos::Experimental::ScatterProd>(big_n);
+  test_scatter_view<TEST_EXECSPACE,Kokkos::Experimental::ScatterMin>(big_n);
+  test_scatter_view<TEST_EXECSPACE,Kokkos::Experimental::ScatterMax>(big_n);
 #endif
 }
 
diff --git a/lib/kokkos/containers/unit_tests/TestUnorderedMap.hpp b/lib/kokkos/containers/unit_tests/TestUnorderedMap.hpp
index 426db1dbf0c0ec1eef6fe98c982aa4f3ab40ad4f..2d34267df308947f304e930f70e695370940a01b 100644
--- a/lib/kokkos/containers/unit_tests/TestUnorderedMap.hpp
+++ b/lib/kokkos/containers/unit_tests/TestUnorderedMap.hpp
@@ -69,7 +69,7 @@ struct TestInsert
 
   void testit( bool rehash_on_fail = true )
   {
-    execution_space::fence();
+    execution_space().fence();
 
     uint32_t failed_count = 0;
     do {
@@ -82,7 +82,7 @@ struct TestInsert
       }
     } while (rehash_on_fail && failed_count > 0u);
 
-    execution_space::fence();
+    execution_space().fence();
   }
 
 
@@ -122,9 +122,9 @@ struct TestInsert
 
     void testit()
     {
-      execution_space::fence();
+      execution_space().fence();
       Kokkos::parallel_for(m_num_erase, *this);
-      execution_space::fence();
+      execution_space().fence();
     }
 
     KOKKOS_INLINE_FUNCTION
@@ -161,9 +161,9 @@ struct TestInsert
 
     void testit(value_type &errors)
     {
-      execution_space::execution_space::fence();
+      execution_space().fence();
       Kokkos::parallel_reduce(m_map.capacity(), *this, errors);
-      execution_space::execution_space::fence();
+      execution_space().fence();
     }
 
     KOKKOS_INLINE_FUNCTION
@@ -247,7 +247,7 @@ void test_failed_insert( uint32_t num_nodes)
   map_type map(num_nodes);
   Impl::TestInsert<map_type> test_insert(map, 2u*num_nodes, 1u);
   test_insert.testit(false /*don't rehash on fail*/);
-  Device::execution_space::fence();
+  typename Device::execution_space().fence();
 
   EXPECT_TRUE( map.failed_insert() );
 }
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_BitSet.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_BitSet.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cec24e00c7d9d4d6c30a40c6ea19c87734930a05
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_BitSet.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestBitset.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_Category.hpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_Category.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..358b42d1aaaef441d40c957c06f4e92e2abbaffb
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_Category.hpp
@@ -0,0 +1,65 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_TEST_HPX_HPP
+#define KOKKOS_TEST_HPX_HPP
+
+#include <gtest/gtest.h>
+
+namespace Test {
+
+class hpx : public ::testing::Test {
+protected:
+  static void SetUpTestCase() {
+  }
+
+  static void TearDownTestCase() {
+  }
+};
+
+} // namespace Test
+
+#define TEST_CATEGORY hpx
+#define TEST_EXECSPACE Kokkos::Experimental::HPX
+
+#endif
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_DualView.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DualView.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..80af9dc33ad88b5b20321908cb2728a1d40344be
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DualView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestDualView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_generic.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_generic.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..95d49c8acf5d59c0290f63713df0eb402e61a2fb
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_generic.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestDynViewAPI_generic.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank12345.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank12345.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..72e0bc661635425b31a9efa088a5d357b5360cdc
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank12345.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestDynViewAPI_rank12345.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank67.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank67.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5a104f0de260a09212b7fbafd265d83558c848ea
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynRankViewAPI_rank67.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestDynViewAPI_rank67.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynamicView.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynamicView.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..718b322684c880cd5cc973752808f2a459fe3167
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_DynamicView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestDynamicView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_ErrorReporter.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ErrorReporter.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ea819ae3438ba18c9ca94c03b0e5b69d17499759
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ErrorReporter.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestErrorReporter.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_OffsetView.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_OffsetView.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4d3684923f2559a3bfa71b12fa506c3a94b21fb2
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_OffsetView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestOffsetView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_ScatterView.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ScatterView.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6a871cc12131275a22db9e11dc4e02346a3911de
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ScatterView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestScatterView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_StaticCrsGraph.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_StaticCrsGraph.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fbb70a762b2d80a5edce941b417e30abbf20709f
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_StaticCrsGraph.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestStaticCrsGraph.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_UnorderedMap.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_UnorderedMap.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7e7aad309fe38b0d57beb60d9ab53147361fd4d9
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_UnorderedMap.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestUnorderedMap.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_Vector.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_Vector.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5fb3664197f139928f8e102388493a87dcb72467
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_Vector.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestVector.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/hpx/TestHPX_ViewCtorPropEmbeddedDim.cpp b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ViewCtorPropEmbeddedDim.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fb9c263c8300c771061cb00de5341ffcec211a65
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/hpx/TestHPX_ViewCtorPropEmbeddedDim.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestViewCtorPropEmbeddedDim.hpp>
+
diff --git a/lib/kokkos/core/cmake/Dependencies.cmake b/lib/kokkos/core/cmake/Dependencies.cmake
index 8d9872725e59655f256a9e62bf3f706a79e80e59..9ad7660bdf675f00758ddbaf7ef5a0555946d5cc 100644
--- a/lib/kokkos/core/cmake/Dependencies.cmake
+++ b/lib/kokkos/core/cmake/Dependencies.cmake
@@ -1,5 +1,5 @@
 TRIBITS_PACKAGE_DEFINE_DEPENDENCIES(
-  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC QTHREADS DLlib
+  LIB_OPTIONAL_TPLS Pthread CUDA HWLOC QTHREADS DLlib HPX
   TEST_OPTIONAL_TPLS CUSPARSE
   )
 
diff --git a/lib/kokkos/core/perf_test/CMakeLists.txt b/lib/kokkos/core/perf_test/CMakeLists.txt
index d9c0f8941381abc92f7052dcf8dee94f94290492..d92462a357cba28dc3a0ba5cb4f8e193e5b5348b 100644
--- a/lib/kokkos/core/perf_test/CMakeLists.txt
+++ b/lib/kokkos/core/perf_test/CMakeLists.txt
@@ -47,6 +47,7 @@ TRIBITS_ADD_EXECUTABLE(
   PerformanceTest_TaskDAG
   SOURCES test_taskdag.cpp
   COMM serial mpi
+  TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
   )
 
 TRIBITS_ADD_TEST(
diff --git a/lib/kokkos/core/perf_test/Makefile b/lib/kokkos/core/perf_test/Makefile
index a0ce1e2c3105e96c7ed6b007b13ab803887799c1..ca98ca6dded94d267cfa53c1c0cda61ddb83609c 100644
--- a/lib/kokkos/core/perf_test/Makefile
+++ b/lib/kokkos/core/perf_test/Makefile
@@ -30,6 +30,7 @@ TARGETS =
 #
 
 OBJ_PERF = PerfTestMain.o gtest-all.o
+OBJ_PERF += PerfTest_ExecSpacePartitioning.o
 OBJ_PERF += PerfTestGramSchmidt.o
 OBJ_PERF += PerfTestHexGrad.o
 OBJ_PERF += PerfTest_CustomReduction.o
diff --git a/lib/kokkos/core/perf_test/PerfTestBlasKernels.hpp b/lib/kokkos/core/perf_test/PerfTestBlasKernels.hpp
index bb2fb5fce5fa339efeea145cffc822fefd1b2055..ff9bf5a91b852326917829a1dc672af0b825b9d6 100644
--- a/lib/kokkos/core/perf_test/PerfTestBlasKernels.hpp
+++ b/lib/kokkos/core/perf_test/PerfTestBlasKernels.hpp
@@ -44,6 +44,8 @@
 #ifndef KOKKOS_BLAS_KERNELS_HPP
 #define KOKKOS_BLAS_KERNELS_HPP
 
+#include <type_traits>
+
 namespace Kokkos {
 
 template< class ConstVectorType ,
@@ -123,14 +125,9 @@ struct Dot
 {
   typedef typename Device::execution_space execution_space ;
 
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 1 > ,
-                            Impl::unsigned_< Type::Rank > >::type ok_rank ;
-
+  static_assert( static_cast<unsigned>(Type::Rank) == static_cast<unsigned>(1),
+    "Dot static_assert Fail: Rank != 1");
 
-/*  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename Type::execution_space >::type ok_device ;*/
 
   typedef double value_type ;
 
@@ -164,13 +161,8 @@ struct DotSingle
 {
   typedef typename Device::execution_space execution_space ;
 
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 1 > ,
-                            Impl::unsigned_< Type::Rank > >::type ok_rank ;
-
-/*  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename Type::execution_space >::type ok_device ;*/
+  static_assert( static_cast<unsigned>(Type::Rank) == static_cast<unsigned>(1),
+    "DotSingle static_assert Fail: Rank != 1");
 
   typedef double value_type ;
 
@@ -204,25 +196,11 @@ struct Scale
 {
   typedef typename Device::execution_space execution_space ;
 
-/*  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename ScalarType::execution_space >::type
-      ok_scalar_device ;
-
-  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename VectorType::execution_space >::type
-      ok_vector_device ;*/
+  static_assert( static_cast<unsigned>(ScalarType::Rank) == static_cast<unsigned>(0),
+    "Scale static_assert Fail: ScalarType::Rank != 0");
 
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 0 > ,
-                            Impl::unsigned_< ScalarType::Rank > >::type
-      ok_scalar_rank ;
-
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 1 > ,
-                            Impl::unsigned_< VectorType::Rank > >::type
-      ok_vector_rank ;
+  static_assert( static_cast<unsigned>(VectorType::Rank) == static_cast<unsigned>(1),
+    "Scale static_assert Fail: VectorType::Rank != 1");
 
 #if 1
   typename ScalarType::const_type alpha ;
@@ -251,35 +229,14 @@ struct AXPBY
 {
   typedef typename Device::execution_space execution_space ;
 
-/*  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename ScalarType::execution_space >::type
-      ok_scalar_device ;
-
-  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename ConstVectorType::execution_space >::type
-      ok_const_vector_device ;
-
-  typedef typename
-    Impl::StaticAssertSame< execution_space ,
-                            typename VectorType::execution_space >::type
-      ok_vector_device ;*/
-
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 0 > ,
-                            Impl::unsigned_< ScalarType::Rank > >::type
-      ok_scalar_rank ;
-
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 1 > ,
-                            Impl::unsigned_< ConstVectorType::Rank > >::type
-      ok_const_vector_rank ;
-
-  typedef typename
-    Impl::StaticAssertSame< Impl::unsigned_< 1 > ,
-                            Impl::unsigned_< VectorType::Rank > >::type
-      ok_vector_rank ;
+  static_assert( static_cast<unsigned>(ScalarType::Rank) == static_cast<unsigned>(0),
+    "AXPBY static_assert Fail: ScalarType::Rank != 0");
+
+  static_assert( static_cast<unsigned>(ConstVectorType::Rank) == static_cast<unsigned>(1),
+    "AXPBY static_assert Fail: ConstVectorType::Rank != 1");
+
+  static_assert( static_cast<unsigned>(VectorType::Rank) == static_cast<unsigned>(1),
+    "AXPBY static_assert Fail: VectorType::Rank != 1");
 
 #if 1
   typename ScalarType::const_type alpha , beta ;
diff --git a/lib/kokkos/core/perf_test/PerfTestGramSchmidt.cpp b/lib/kokkos/core/perf_test/PerfTestGramSchmidt.cpp
index b169b02903ed4589bace5f83ee880937bba328b8..d812b16d85eaec14430ce952616776e5483cfd10 100644
--- a/lib/kokkos/core/perf_test/PerfTestGramSchmidt.cpp
+++ b/lib/kokkos/core/perf_test/PerfTestGramSchmidt.cpp
@@ -183,7 +183,7 @@ struct ModifiedGramSchmidt
       }
     }
 
-    execution_space::fence();
+    execution_space().fence();
 
     return timer.seconds();
   }
diff --git a/lib/kokkos/core/perf_test/PerfTestHexGrad.cpp b/lib/kokkos/core/perf_test/PerfTestHexGrad.cpp
index b228dd2e2eb604cd7b23bb51282a248af75406dc..03285a375c40443c3a830c370a206f0f95d4ce20 100644
--- a/lib/kokkos/core/perf_test/PerfTestHexGrad.cpp
+++ b/lib/kokkos/core/perf_test/PerfTestHexGrad.cpp
@@ -253,12 +253,12 @@ struct HexGrad
     double dt_min = 0 ;
 
     Kokkos::parallel_for( count , Init( coord ) );
-    execution_space::fence();
+    execution_space().fence();
 
     for ( int i = 0 ; i < iter ; ++i ) {
       Kokkos::Timer timer ;
       Kokkos::parallel_for( count , HexGrad<execution_space>( coord , grad ) );
-      execution_space::fence();
+      execution_space().fence();
       const double dt = timer.seconds();
       if ( 0 == i ) dt_min = dt ;
       else dt_min = dt < dt_min ? dt : dt_min ;
diff --git a/lib/kokkos/core/perf_test/PerfTestMDRange.hpp b/lib/kokkos/core/perf_test/PerfTestMDRange.hpp
index 51affa6a2e240798fbc50e063f4df676f7ef4272..f433451f789265f8a41d91def0c51f42145921de 100644
--- a/lib/kokkos/core/perf_test/PerfTestMDRange.hpp
+++ b/lib/kokkos/core/perf_test/PerfTestMDRange.hpp
@@ -125,15 +125,15 @@ struct MultiDimRangePerf3D
       Kokkos::MDRangePolicy<Kokkos::Rank<3, iterate_type::Right, iterate_type::Right>, execution_space > policy(point_type{{0,0,0}},point_type{{icount,jcount,kcount}},tile_type{{Ti,Tj,Tk}} );
 
       Kokkos::parallel_for( policy_initA, Init(Atest, icount, jcount, kcount) );
-      execution_space::fence();
+      execution_space().fence();
       Kokkos::parallel_for( policy_initB, Init(Btest, icount+2, jcount+2, kcount+2) );
-      execution_space::fence();
+      execution_space().fence();
 
     for (int i = 0; i < iter; ++i)
     {
       Kokkos::Timer timer;
       Kokkos::parallel_for( policy, FunctorType(Atest, Btest, icount, jcount, kcount) );
-      execution_space::fence();
+      execution_space().fence();
       const double dt = timer.seconds();
       if ( 0 == i ) dt_min = dt ;
       else dt_min = dt < dt_min ? dt : dt_min ;
@@ -189,15 +189,15 @@ struct MultiDimRangePerf3D
       Kokkos::MDRangePolicy<Kokkos::Rank<3, iterate_type::Left, iterate_type::Left>, execution_space > policy({{0,0,0}},{{icount,jcount,kcount}},{{Ti,Tj,Tk}} ); 
 
       Kokkos::parallel_for( policy_initA, Init(Atest, icount, jcount, kcount) );
-      execution_space::fence();
+      execution_space().fence();
       Kokkos::parallel_for( policy_initB, Init(Btest, icount+2, jcount+2, kcount+2) );
-      execution_space::fence();
+      execution_space().fence();
 
     for (int i = 0; i < iter; ++i)
     {
       Kokkos::Timer timer;
       Kokkos::parallel_for( policy, FunctorType(Atest, Btest, icount, jcount, kcount) );
-      execution_space::fence();
+      execution_space().fence();
       const double dt = timer.seconds();
       if ( 0 == i ) dt_min = dt ;
       else dt_min = dt < dt_min ? dt : dt_min ;
@@ -368,15 +368,15 @@ struct RangePolicyCollapseTwo
     double dt_min = 0;
 
     Kokkos::parallel_for( policy, Init(Atest,icount,jcount,kcount) );
-    execution_space::fence();
+    execution_space().fence();
     Kokkos::parallel_for( policy_initB, Init(Btest,icount+2,jcount+2,kcount+2) );
-    execution_space::fence();
+    execution_space().fence();
 
     for (int i = 0; i < iter; ++i)
     {
       Kokkos::Timer timer;
       Kokkos::parallel_for(policy, FunctorType(Atest, Btest, icount, jcount, kcount));
-      execution_space::fence();
+      execution_space().fence();
       const double dt = timer.seconds();
       if ( 0 == i ) dt_min = dt ;
       else dt_min = dt < dt_min ? dt : dt_min ;
@@ -513,15 +513,15 @@ struct RangePolicyCollapseAll
     double dt_min = 0;
 
     Kokkos::parallel_for( policy, Init(Atest,icount,jcount,kcount) );
-    execution_space::fence();
+    execution_space().fence();
     Kokkos::parallel_for( policy_initB, Init(Btest,icount+2,jcount+2,kcount+2) );
-    execution_space::fence();
+    execution_space().fence();
 
     for (int i = 0; i < iter; ++i)
     {
       Kokkos::Timer timer;
       Kokkos::parallel_for(policy, FunctorType(Atest, Btest, icount, jcount, kcount));
-      execution_space::fence();
+      execution_space().fence();
       const double dt = timer.seconds();
       if ( 0 == i ) dt_min = dt ;
       else dt_min = dt < dt_min ? dt : dt_min ;
diff --git a/lib/kokkos/core/perf_test/PerfTest_ExecSpacePartitioning.cpp b/lib/kokkos/core/perf_test/PerfTest_ExecSpacePartitioning.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..2fc889beedee31030e213dc5da3359c43cbe6b1f
--- /dev/null
+++ b/lib/kokkos/core/perf_test/PerfTest_ExecSpacePartitioning.cpp
@@ -0,0 +1,564 @@
+#include <Kokkos_Core.hpp>
+#include <gtest/gtest.h>
+#include <PerfTest_Category.hpp>
+
+
+namespace Test {
+
+namespace {
+  template<class ExecSpace>
+  struct SpaceInstance {
+    static ExecSpace create() {
+      return ExecSpace();
+    }
+    static void destroy(ExecSpace&) {
+    }
+    static bool overlap() {
+      return false;
+    }
+  };
+
+  #ifndef KOKKOS_ENABLE_DEBUG
+  #ifdef KOKKOS_ENABLE_CUDA
+  template<>
+  struct SpaceInstance<Kokkos::Cuda> {
+    static Kokkos::Cuda create() {
+      cudaStream_t stream;
+      cudaStreamCreate(&stream);
+      return Kokkos::Cuda(stream);
+    }
+    static void destroy(Kokkos::Cuda& space) {
+      cudaStream_t stream = space.cuda_stream();
+      cudaStreamDestroy(stream);
+    }
+    static bool overlap() {
+      bool value = true;
+      auto local_rank_str = std::getenv("CUDA_LAUNCH_BLOCKING");
+      if(local_rank_str) {
+        value = (std::atoi(local_rank_str)==0);
+      }
+      return value;
+    }
+  };
+  #endif
+  #endif
+}
+
+struct FunctorRange {
+  int M,R;
+  Kokkos::View<double**,TEST_EXECSPACE> a;
+  FunctorRange(int M_, int R_, Kokkos::View<double**,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int i) const {
+    for(int r=0;r<R;r++)
+    for(int j=0;j<M;j++) {
+      a(i,j)+=1.0;
+    }
+  }
+};
+
+struct FunctorMDRange {
+  int M,R;
+  Kokkos::View<double**,TEST_EXECSPACE> a;
+  FunctorMDRange(int M_, int R_, Kokkos::View<double**,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int i, const int) const {
+    for(int j=0;j<M;j++)
+      a(i,j)+=1.0;
+  }
+};
+
+struct FunctorTeam {
+  int M,R;
+  Kokkos::View<double**,Kokkos::LayoutRight,TEST_EXECSPACE> a;
+  FunctorTeam(int M_, int R_, Kokkos::View<double**,Kokkos::LayoutRight,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const Kokkos::TeamPolicy<TEST_EXECSPACE>::member_type& team) const {
+    int i = team.league_rank();
+    for(int r=0;r<R;r++) {
+      Kokkos::parallel_for(Kokkos::TeamThreadRange(team,M), [&] (const int j) {
+        a(i,j)+=1.0;
+      });
+    }
+  }
+};
+
+struct FunctorRangeReduce {
+  int M,R;
+  Kokkos::View<double**,TEST_EXECSPACE> a;
+  FunctorRangeReduce(int M_, int R_, Kokkos::View<double**,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int i, double& tmp) const {
+    for(int r=0;r<R;r++)
+    for(int j=0;j<M;j++) {
+      tmp += a(i,j);
+    }
+  }
+};
+
+struct FunctorMDRangeReduce {
+  int M,R;
+  Kokkos::View<double**,TEST_EXECSPACE> a;
+  FunctorMDRangeReduce(int M_, int R_, Kokkos::View<double**,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int i, const int, double& tmp) const {
+    for(int j=0;j<M;j++)
+      tmp += a(i,j);
+  }
+};
+
+struct FunctorTeamReduce {
+  int M,R;
+  Kokkos::View<double**,Kokkos::LayoutRight,TEST_EXECSPACE> a;
+  FunctorTeamReduce(int M_, int R_, Kokkos::View<double**,Kokkos::LayoutRight,TEST_EXECSPACE> a_):M(M_),R(R_),a(a_){}
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const Kokkos::TeamPolicy<TEST_EXECSPACE>::member_type& team, double& tmp) const {
+    int i = team.league_rank();
+    for(int r=0;r<R;r++) {
+      double val;
+      Kokkos::parallel_reduce(Kokkos::TeamThreadRange(team,M), [&] (const int j, double& tmp2) {
+        tmp2 += a(i,j);
+      },val);
+      tmp+=val;
+    }
+  }
+};
+
+TEST_F( default_exec, overlap_range_policy ) {
+  int N = 2000;
+   int M = 10000;
+   int R =  10;
+
+   TEST_EXECSPACE space;
+   TEST_EXECSPACE space1 = SpaceInstance<TEST_EXECSPACE>::create();
+   TEST_EXECSPACE space2 = SpaceInstance<TEST_EXECSPACE>::create();
+
+   Kokkos::View<double**,TEST_EXECSPACE> a("A",N,M);
+   FunctorRange f(M,R,a);
+   FunctorRangeReduce fr(M,R,a);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel0",
+       Kokkos::RangePolicy<TEST_EXECSPACE>(0,N), FunctorRange(M,R,a));
+
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel1",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space1,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel2",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space2,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   Kokkos::Timer timer;
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel3",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel4",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel5",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space1,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorRange(M,R,a));
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel6",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space2,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorRange(M,R,a));
+   Kokkos::fence();
+   double time_overlap = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel7",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel8",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+   double time_end = timer.seconds();
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE( (time_end > 1.5*time_overlap) );
+   }
+   printf("Time RangePolicy: NonOverlap: %lf Time Overlap: %lf\n",time_end,time_overlap);
+
+   Kokkos::View<double,TEST_EXECSPACE> result("result");
+   Kokkos::View<double,TEST_EXECSPACE> result1("result1");
+   Kokkos::View<double,TEST_EXECSPACE> result2("result2");
+   Kokkos::View<double,Kokkos::HostSpace> h_result("h_result");
+   Kokkos::View<double,Kokkos::HostSpace> h_result1("h_result1");
+   Kokkos::View<double,Kokkos::HostSpace> h_result2("h_result2");
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::fence();
+   double time_fenced = timer.seconds();
+   Kokkos::deep_copy(h_result,result);
+   
+   timer.reset();  
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);   
+   double time_not_fenced = timer.seconds();
+   Kokkos::fence();
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_fenced>2.0*time_not_fenced);
+   }
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+  Kokkos::fence();
+  double time_no_overlapped_reduce = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space1,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result1);
+   Kokkos::parallel_reduce("default_exec::overlap_range_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::RangePolicy<TEST_EXECSPACE>(space2,0,N),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result2);
+  Kokkos::fence();
+  double time_overlapped_reduce = timer.seconds();
+
+  Kokkos::deep_copy(h_result2,result2);
+  Kokkos::deep_copy(h_result1,result1);
+
+  ASSERT_EQ(h_result1(),h_result()); 
+  ASSERT_EQ(h_result2(),h_result()); 
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_overlapped_reduce < 1.5*time_no_overlapped_reduce);
+   }
+   printf("Time RangePolicy Reduce: NonOverlap: %lf Time Overlap: %lf\n",time_no_overlapped_reduce,time_overlapped_reduce);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space1);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space2);
+}
+
+TEST_F( default_exec, overlap_mdrange_policy ) {
+   int N = 200;
+   int M = 10000;
+   int R =  10;
+
+   TEST_EXECSPACE space;
+   TEST_EXECSPACE space1 = SpaceInstance<TEST_EXECSPACE>::create();
+   TEST_EXECSPACE space2 = SpaceInstance<TEST_EXECSPACE>::create();
+
+   Kokkos::View<double**,TEST_EXECSPACE> a("A",N,M);
+   FunctorMDRange f(M,R,a);
+   FunctorMDRangeReduce fr(M,R,a);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel0",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>({0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorMDRange(M,R,a));
+
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel1",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space1,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel2",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space2,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   Kokkos::Timer timer;
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel3",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel4",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel5",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space1,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorMDRange(M,R,a));
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel6",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space2,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorMDRange(M,R,a));
+   Kokkos::fence();
+   double time_overlap = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel7",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel8",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+   double time_end = timer.seconds();
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE( (time_end > 1.5*time_overlap) );
+   }
+   printf("Time MDRangePolicy: NonOverlap: %lf Time Overlap: %lf\n",time_end,time_overlap);
+
+   Kokkos::View<double,TEST_EXECSPACE> result("result");
+   Kokkos::View<double,TEST_EXECSPACE> result1("result1");
+   Kokkos::View<double,TEST_EXECSPACE> result2("result2");
+   Kokkos::View<double,Kokkos::HostSpace> h_result("h_result");
+   Kokkos::View<double,Kokkos::HostSpace> h_result1("h_result1");
+   Kokkos::View<double,Kokkos::HostSpace> h_result2("h_result2");
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::fence();
+   double time_fenced = timer.seconds();
+   Kokkos::deep_copy(h_result,result);
+   
+   timer.reset();  
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);   
+   double time_not_fenced = timer.seconds();
+   Kokkos::fence();
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_fenced>2.0*time_not_fenced);
+   }
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+  Kokkos::fence();
+  double time_no_overlapped_reduce = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space1,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result1);
+   Kokkos::parallel_reduce("default_exec::overlap_mdrange_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<2>>(space2,{0,0},{N,R}),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result2);
+  Kokkos::fence();
+  double time_overlapped_reduce = timer.seconds();
+
+  Kokkos::deep_copy(h_result2,result2);
+  Kokkos::deep_copy(h_result1,result1);
+
+  ASSERT_EQ(h_result1(),h_result()); 
+  ASSERT_EQ(h_result2(),h_result()); 
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_overlapped_reduce < 1.5*time_no_overlapped_reduce);
+   }
+   printf("Time MDRangePolicy Reduce: NonOverlap: %lf Time Overlap: %lf\n",time_no_overlapped_reduce,time_overlapped_reduce);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space2);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space1);
+
+}
+
+TEST_F( default_exec, overlap_team_policy ) {
+  int N = 20;
+   int M = 1000000;
+   int R =  10;
+
+   TEST_EXECSPACE space;
+   TEST_EXECSPACE space1 = SpaceInstance<TEST_EXECSPACE>::create();
+   TEST_EXECSPACE space2 = SpaceInstance<TEST_EXECSPACE>::create();
+
+   Kokkos::View<double**,Kokkos::LayoutRight,TEST_EXECSPACE> a("A",N,M);
+   FunctorTeam f(M,R,a);
+   FunctorTeamReduce fr(M,R,a);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel0",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorTeam(M,R,a));
+
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel1",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space1,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel2",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space2,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   Kokkos::Timer timer;
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel3",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel4",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel5",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space1,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorTeam(M,R,a));
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel6",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space2,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , FunctorTeam(M,R,a));
+   Kokkos::fence();
+   double time_overlap = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel7",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::parallel_for("default_exec::overlap_range_policy::kernel8",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , f);
+   Kokkos::fence();
+   double time_end = timer.seconds();
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE( (time_end > 1.5*time_overlap) );
+   }
+   printf("Time TeamPolicy: NonOverlap: %lf Time Overlap: %lf\n",time_end,time_overlap);
+
+   Kokkos::View<double,TEST_EXECSPACE> result("result");
+   Kokkos::View<double,TEST_EXECSPACE> result1("result1");
+   Kokkos::View<double,TEST_EXECSPACE> result2("result2");
+   Kokkos::View<double,Kokkos::HostSpace> h_result("h_result");
+   Kokkos::View<double,Kokkos::HostSpace> h_result1("h_result1");
+   Kokkos::View<double,Kokkos::HostSpace> h_result2("h_result2");
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::fence();
+   double time_fenced = timer.seconds();
+   Kokkos::deep_copy(h_result,result);
+   
+   timer.reset();  
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);   
+   double time_not_fenced = timer.seconds();
+   Kokkos::fence();
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_fenced>2.0*time_not_fenced);
+   }
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result);
+  Kokkos::fence();
+  double time_no_overlapped_reduce = timer.seconds();
+
+   timer.reset();
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space1,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result1);
+   Kokkos::parallel_reduce("default_exec::overlap_team_policy::kernel_reduce",
+       Kokkos::Experimental::require(
+           Kokkos::TeamPolicy<TEST_EXECSPACE>(space2,N,Kokkos::AUTO),
+           Kokkos::Experimental::WorkItemProperty::HintLightWeight)
+       , fr, result2);
+  Kokkos::fence();
+  double time_overlapped_reduce = timer.seconds();
+
+  Kokkos::deep_copy(h_result2,result2);
+  Kokkos::deep_copy(h_result1,result1);
+
+  ASSERT_EQ(h_result1(),h_result()); 
+  ASSERT_EQ(h_result2(),h_result()); 
+
+   if(SpaceInstance<TEST_EXECSPACE>::overlap()) {
+     ASSERT_TRUE(time_overlapped_reduce < 1.5*time_no_overlapped_reduce);
+   }
+   printf("Time TeamPolicy Reduce: NonOverlap: %lf Time Overlap: %lf\n",time_no_overlapped_reduce,time_overlapped_reduce);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space1);
+   SpaceInstance<TEST_EXECSPACE>::destroy(space2);
+}
+}
diff --git a/lib/kokkos/core/perf_test/PerfTest_ViewAllocate.cpp b/lib/kokkos/core/perf_test/PerfTest_ViewAllocate.cpp
index 7d64591d9fadd45e8a876b9fc70a006e53ef0762..685194c15018a4ef4b3126a3645873ca968a8a44 100644
--- a/lib/kokkos/core/perf_test/PerfTest_ViewAllocate.cpp
+++ b/lib/kokkos/core/perf_test/PerfTest_ViewAllocate.cpp
@@ -121,6 +121,7 @@ void run_allocateview_tests(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a_ptr[i] = 0.0;
       });
+      Kokkos::fence();
       Kokkos::kokkos_free(a_ptr);
     }
     time_raw = timer.seconds()/R;
diff --git a/lib/kokkos/core/perf_test/PerfTest_ViewCopy.hpp b/lib/kokkos/core/perf_test/PerfTest_ViewCopy.hpp
index 3f46187957e2e7c8ce30c552b81af85ff28bd201..eff31c69bb68c1539dc5a9d8d8c06e20bc8cd1fb 100644
--- a/lib/kokkos/core/perf_test/PerfTest_ViewCopy.hpp
+++ b/lib/kokkos/core/perf_test/PerfTest_ViewCopy.hpp
@@ -95,6 +95,7 @@ void run_deepcopyview_tests123(int N, int R) {
         a_ptr[i] = b_ptr[i];
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -135,6 +136,7 @@ void run_deepcopyview_tests45(int N, int R) {
         a_ptr[i] = b_ptr[i];
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -169,6 +171,7 @@ void run_deepcopyview_tests6(int N, int R) {
         a_ptr[i] = b_ptr[i];
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -202,6 +205,7 @@ void run_deepcopyview_tests7(int N, int R) {
         a_ptr[i] = b_ptr[i];
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -235,6 +239,7 @@ void run_deepcopyview_tests8(int N, int R) {
         a_ptr[i] = b_ptr[i];
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
diff --git a/lib/kokkos/core/perf_test/PerfTest_ViewFill.hpp b/lib/kokkos/core/perf_test/PerfTest_ViewFill.hpp
index c50d13d1ed16d581342abb47a33971337ac2b584..b17356f0c85969dc8fb202183cb2dfb1a823e030 100644
--- a/lib/kokkos/core/perf_test/PerfTest_ViewFill.hpp
+++ b/lib/kokkos/core/perf_test/PerfTest_ViewFill.hpp
@@ -90,6 +90,7 @@ void run_fillview_tests123(int N, int R) {
         a_ptr[i] = 1.1;
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -126,6 +127,7 @@ void run_fillview_tests45(int N, int R) {
         a_ptr[i] = 1.1;
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -157,6 +159,7 @@ void run_fillview_tests6(int N, int R) {
         a_ptr[i] = 1.1;
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -187,6 +190,7 @@ void run_fillview_tests7(int N, int R) {
         a_ptr[i] = 1.1;
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -217,6 +221,7 @@ void run_fillview_tests8(int N, int R) {
         a_ptr[i] = 1.1;
       });
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
diff --git a/lib/kokkos/core/perf_test/PerfTest_ViewResize.hpp b/lib/kokkos/core/perf_test/PerfTest_ViewResize.hpp
index 2720f4855c8fc0a5443c9851ddc137465b00fd53..b5019b467a3d3c62309bfb871ad2cf43b4658e5e 100644
--- a/lib/kokkos/core/perf_test/PerfTest_ViewResize.hpp
+++ b/lib/kokkos/core/perf_test/PerfTest_ViewResize.hpp
@@ -95,7 +95,9 @@ void run_resizeview_tests123(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a1_ptr[i] = a_ptr[i];
       });
+      Kokkos::fence();
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -143,7 +145,9 @@ void run_resizeview_tests45(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a1_ptr[i] = a_ptr[i];
       });
+      Kokkos::fence();
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -181,7 +185,9 @@ void run_resizeview_tests6(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a1_ptr[i] = a_ptr[i];
       });
+      Kokkos::fence();
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -218,7 +224,9 @@ void run_resizeview_tests7(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a1_ptr[i] = a_ptr[i];
       });
+      Kokkos::fence();
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
@@ -255,7 +263,9 @@ void run_resizeview_tests8(int N, int R) {
       Kokkos::parallel_for(N8, KOKKOS_LAMBDA (const int& i) {
         a1_ptr[i] = a_ptr[i];
       });
+      Kokkos::fence();
     }
+    Kokkos::fence();
     time_raw = timer.seconds()/R;
   }
   #endif
diff --git a/lib/kokkos/core/perf_test/test_atomic.cpp b/lib/kokkos/core/perf_test/test_atomic.cpp
index 6bb22e4e301aa3ef190e17fb9f292f50bd8c3d69..24e4f015d3e65c58b07412ac0860be589de0a85c 100644
--- a/lib/kokkos/core/perf_test/test_atomic.cpp
+++ b/lib/kokkos/core/perf_test/test_atomic.cpp
@@ -69,7 +69,7 @@ typedef Kokkos::DefaultExecutionSpace exec_space;
 #define	WHITE		8
 
 void textcolor(int attr, int fg, int bg)
-{	char command[13];
+{	char command[40];
 
 	/* Command is the control command to the terminal */
 	sprintf(command, "%c[%d;%d;%dm", 0x1B, attr, fg + 30, bg + 40);
@@ -85,7 +85,7 @@ struct ZeroFunctor{
   typedef typename Kokkos::View<T,execution_space>::HostMirror h_type;
   type data;
   KOKKOS_INLINE_FUNCTION
-  void operator()(int i) const {
+  void operator()(int) const {
     data() = 0;
   }
 };
@@ -101,7 +101,7 @@ struct AddFunctor{
   type data;
 
   KOKKOS_INLINE_FUNCTION
-  void operator()(int i) const {
+  void operator()(int) const {
     Kokkos::atomic_fetch_add(&data(),(T)1);
   }
 };
@@ -113,12 +113,12 @@ T AddLoop(int loop) {
   typename ZeroFunctor<T,exec_space>::h_type h_data("HData");
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct AddFunctor<T,exec_space> f_add;
   f_add.data = data;
   Kokkos::parallel_for(loop,f_add);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   T val = h_data();
@@ -132,7 +132,7 @@ struct AddNonAtomicFunctor{
   type data;
 
   KOKKOS_INLINE_FUNCTION
-  void operator()(int i) const {
+  void operator()(int) const {
     data()+=(T)1;
   }
 };
@@ -145,12 +145,12 @@ T AddLoopNonAtomic(int loop) {
 
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct AddNonAtomicFunctor<T,exec_space> f_add;
   f_add.data = data;
   Kokkos::parallel_for(loop,f_add);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   T val = h_data();
@@ -178,7 +178,7 @@ struct CASFunctor{
   type data;
 
   KOKKOS_INLINE_FUNCTION
-  void operator()(int i) const {
+  void operator()(int) const {
 	  T old = data();
 	  T newval, assumed;
 	  do {
@@ -197,12 +197,12 @@ T CASLoop(int loop) {
   typename ZeroFunctor<T,exec_space>::h_type h_data("HData");
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct CASFunctor<T,exec_space> f_cas;
   f_cas.data = data;
   Kokkos::parallel_for(loop,f_cas);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   T val = h_data();
@@ -217,7 +217,7 @@ struct CASNonAtomicFunctor{
   type data;
 
   KOKKOS_INLINE_FUNCTION
-  void operator()(int i) const {
+  void operator()(int) const {
 	  volatile T assumed;
 	  volatile T newval;
 	  bool fail=1;
@@ -240,12 +240,12 @@ T CASLoopNonAtomic(int loop) {
   typename ZeroFunctor<T,exec_space>::h_type h_data("HData");
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct CASNonAtomicFunctor<T,exec_space> f_cas;
   f_cas.data = data;
   Kokkos::parallel_for(loop,f_cas);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   T val = h_data();
@@ -296,19 +296,19 @@ T ExchLoop(int loop) {
   typename ZeroFunctor<T,exec_space>::h_type h_data("HData");
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   typename ZeroFunctor<T,exec_space>::type data2("Data");
   typename ZeroFunctor<T,exec_space>::h_type h_data2("HData");
   f_zero.data = data2;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct ExchFunctor<T,exec_space> f_exch;
   f_exch.data = data;
   f_exch.data2 = data2;
   Kokkos::parallel_for(loop,f_exch);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   Kokkos::deep_copy(h_data2,data2);
@@ -339,19 +339,19 @@ T ExchLoopNonAtomic(int loop) {
   typename ZeroFunctor<T,exec_space>::h_type h_data("HData");
   f_zero.data = data;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   typename ZeroFunctor<T,exec_space>::type data2("Data");
   typename ZeroFunctor<T,exec_space>::h_type h_data2("HData");
   f_zero.data = data2;
   Kokkos::parallel_for(1,f_zero);
-  exec_space::fence();
+  exec_space().fence();
 
   struct ExchNonAtomicFunctor<T,exec_space> f_exch;
   f_exch.data = data;
   f_exch.data2 = data2;
   Kokkos::parallel_for(loop,f_exch);
-  exec_space::fence();
+  exec_space().fence();
 
   Kokkos::deep_copy(h_data,data);
   Kokkos::deep_copy(h_data2,data2);
diff --git a/lib/kokkos/core/perf_test/test_mempool.cpp b/lib/kokkos/core/perf_test/test_mempool.cpp
index 9fd58eda9145fd327b4fbf21e951b9bc9a9ad868..c47730ec69746143cb4dc7c6b8f510984c306217 100644
--- a/lib/kokkos/core/perf_test/test_mempool.cpp
+++ b/lib/kokkos/core/perf_test/test_mempool.cpp
@@ -153,6 +153,7 @@ struct TestFunctor {
       typedef Kokkos::RangePolicy< ExecSpace , TagDel > policy ;
 
       Kokkos::parallel_for( policy(0,range_iter), *this );
+      Kokkos::fence();
     }
 
   //----------------------------------------
diff --git a/lib/kokkos/core/perf_test/test_taskdag.cpp b/lib/kokkos/core/perf_test/test_taskdag.cpp
index 8d5e1c475f1751e9371980db3722e7bc9d13df30..41198edfe156274eb3a89be9fe0b3dd132b37a04 100644
--- a/lib/kokkos/core/perf_test/test_taskdag.cpp
+++ b/lib/kokkos/core/perf_test/test_taskdag.cpp
@@ -92,27 +92,26 @@ long fib_alloc_count( long n )
   return count[ n & mask ];
 }
 
-template< class Space >
+template< class Scheduler >
 struct TestFib {
 
-  using Scheduler   = Kokkos::TaskScheduler< Space > ;
   using MemorySpace = typename Scheduler::memory_space ;
   using MemberType  = typename Scheduler::member_type ;
-  using FutureType  = Kokkos::Future< long , Space > ;
+  using FutureType  = Kokkos::BasicFuture< long , Scheduler > ;
 
   typedef long value_type ;
 
-  Scheduler  sched ;
   FutureType dep[2] ;
   const value_type n ;
 
   KOKKOS_INLINE_FUNCTION
-  TestFib( const Scheduler & arg_sched , const value_type arg_n )
-    : sched( arg_sched ), dep{} , n( arg_n ) {}
+  TestFib( const value_type arg_n )
+    : dep{} , n( arg_n ) {}
 
   KOKKOS_INLINE_FUNCTION
-  void operator()( const MemberType & , value_type & result ) noexcept
+  void operator()( MemberType & member, value_type & result ) noexcept
     {
+      auto& sched = member.scheduler();
       if ( n < 2 ) {
         result = n ;
       }
@@ -126,13 +125,13 @@ struct TestFib {
 
         dep[1] = Kokkos::task_spawn
           ( Kokkos::TaskSingle( sched, Kokkos::TaskPriority::High )
-          , TestFib( sched, n - 2 ) );
+          , TestFib( n - 2 ) );
 
         dep[0] = Kokkos::task_spawn
           ( Kokkos::TaskSingle( sched )
-          , TestFib( sched, n - 1 ) );
+          , TestFib( n - 1 ) );
 
-        Kokkos::Future< ExecSpace > fib_all = Kokkos::when_all( dep, 2 );
+        auto fib_all = sched.when_all( dep, 2 );
 
         if ( ! dep[0].is_null() && ! dep[1].is_null() && ! fib_all.is_null() ) {
           // High priority to retire this branch.
@@ -202,13 +201,15 @@ int main( int argc , char* argv[] )
     return -1;
   }
 
-  typedef TestFib< ExecSpace >  Functor ;
+  using Scheduler = Kokkos::TaskSchedulerMultiple<ExecSpace>;
+
+  typedef TestFib< Scheduler >  Functor ;
 
   Kokkos::initialize(argc,argv);
 
   {
 
-    Functor::Scheduler sched( Functor::MemorySpace()
+    Scheduler sched( Functor::MemorySpace()
                             , total_alloc_size
                             , min_block_size
                             , max_block_size
@@ -217,21 +218,21 @@ int main( int argc , char* argv[] )
 
     Functor::FutureType f =
       Kokkos::host_spawn( Kokkos::TaskSingle( sched )
-                        , Functor( sched , fib_input )
+                        , Functor( fib_input )
                         );
 
     Kokkos::wait( sched );
 
     test_result = f.get();
 
-    task_count_max   = sched.allocated_task_count_max();
-    task_count_accum = sched.allocated_task_count_accum();
+    //task_count_max   = sched.allocated_task_count_max();
+    //task_count_accum = sched.allocated_task_count_accum();
 
-    if ( number_alloc != task_count_accum ) {
-      std::cout << " number_alloc( " << number_alloc << " )"
-                << " != task_count_accum( " << task_count_accum << " )"
-                << std::endl ;
-    }
+    //if ( number_alloc != task_count_accum ) {
+    //  std::cout << " number_alloc( " << number_alloc << " )"
+    //            << " != task_count_accum( " << task_count_accum << " )"
+    //            << std::endl ;
+    //}
 
     if ( fib_output != test_result ) {
       std::cout << " answer( " << fib_output << " )"
@@ -239,7 +240,7 @@ int main( int argc , char* argv[] )
                 << std::endl ;
     }
 
-    if ( fib_output != test_result || number_alloc != task_count_accum ) {
+    if ( fib_output != test_result) { // || number_alloc != task_count_accum ) {
       printf("  TEST FAILED\n");
       return -1;
     }
@@ -252,7 +253,7 @@ int main( int argc , char* argv[] )
 
       Functor::FutureType ftmp =
         Kokkos::host_spawn( Kokkos::TaskSingle( sched )
-                          , Functor( sched , fib_input )
+                          , Functor( fib_input )
                           );
 
       Kokkos::wait( sched );
diff --git a/lib/kokkos/core/src/CMakeLists.txt b/lib/kokkos/core/src/CMakeLists.txt
index ab7f3f55c72be040aad805a30aaaf58a14e5636d..a941c5da0c390754a1e47cd4d38c0d142861ca86 100644
--- a/lib/kokkos/core/src/CMakeLists.txt
+++ b/lib/kokkos/core/src/CMakeLists.txt
@@ -61,6 +61,16 @@ IF(KOKKOS_LEGACY_TRIBITS)
 
   #-----------------------------------------------------------------------------
 
+  FILE(GLOB HEADERS_HPX HPX/*.hpp)
+  FILE(GLOB SOURCES_HPX HPX/*.cpp)
+
+  LIST(APPEND HEADERS_PRIVATE ${HEADERS_HPX} )
+  LIST(APPEND SOURCES         ${SOURCES_HPX} )
+
+  INSTALL(FILES ${HEADERS_HPX} DESTINATION ${TRILINOS_INCDIR}/HPX/)
+
+  #-----------------------------------------------------------------------------
+
   FILE(GLOB HEADERS_CUDA Cuda/*.hpp)
   FILE(GLOB SOURCES_CUDA Cuda/*.cpp)
 
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp b/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp
deleted file mode 100644
index c31b7f5b5dcfb35687d331d8a53af26021e9f0d7..0000000000000000000000000000000000000000
--- a/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp
+++ /dev/null
@@ -1,419 +0,0 @@
-/*
-//@HEADER
-// ************************************************************************
-//
-//                        Kokkos v. 2.0
-//              Copyright (2014) Sandia Corporation
-//
-// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
-// the U.S. Government retains certain rights in this software.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-// 1. Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//
-// 2. Redistributions in binary form must reproduce the above copyright
-// notice, this list of conditions and the following disclaimer in the
-// documentation and/or other materials provided with the distribution.
-//
-// 3. Neither the name of the Corporation nor the names of the
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
-// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
-// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
-// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
-// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
-// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
-// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
-// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
-// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
-// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
-// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
-//
-// ************************************************************************
-//@HEADER
-*/
-
-#ifndef KOKKOS_CUDAEXEC_HPP
-#define KOKKOS_CUDAEXEC_HPP
-
-#include <Kokkos_Macros.hpp>
-#ifdef KOKKOS_ENABLE_CUDA
-
-#include <string>
-#include <cstdint>
-#include <Kokkos_Parallel.hpp>
-#include <impl/Kokkos_Error.hpp>
-#include <Cuda/Kokkos_Cuda_abort.hpp>
-#include <Cuda/Kokkos_Cuda_Error.hpp>
-#include <Cuda/Kokkos_Cuda_Locks.hpp>
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-namespace Impl {
-
-struct CudaTraits {
-  enum { WarpSize       = 32      /* 0x0020 */ };
-  enum { WarpIndexMask  = 0x001f  /* Mask for warpindex */ };
-  enum { WarpIndexShift = 5       /* WarpSize == 1 << WarpShift */ };
-
-  enum { SharedMemoryBanks    = 32      /* Compute device 2.0 */ };
-  enum { SharedMemoryCapacity = 0x0C000 /* 48k shared / 16k L1 Cache */ };
-  enum { SharedMemoryUsage    = 0x04000 /* 16k shared / 48k L1 Cache */ };
-
-  enum { UpperBoundGridCount    = 65535 /* Hard upper bound */ };
-  enum { ConstantMemoryCapacity = 0x010000 /* 64k bytes */ };
-  enum { ConstantMemoryUsage    = 0x008000 /* 32k bytes */ };
-  enum { ConstantMemoryCache    = 0x002000 /*  8k bytes */ };
-
-  typedef unsigned long
-    ConstantGlobalBufferType[ ConstantMemoryUsage / sizeof(unsigned long) ];
-
-  enum { ConstantMemoryUseThreshold = 0x000200 /* 512 bytes */ };
-
-  KOKKOS_INLINE_FUNCTION static
-  CudaSpace::size_type warp_count( CudaSpace::size_type i )
-    { return ( i + WarpIndexMask ) >> WarpIndexShift ; }
-
-  KOKKOS_INLINE_FUNCTION static
-  CudaSpace::size_type warp_align( CudaSpace::size_type i )
-    {
-      enum { Mask = ~CudaSpace::size_type( WarpIndexMask ) };
-      return ( i + WarpIndexMask ) & Mask ;
-    }
-};
-
-//----------------------------------------------------------------------------
-
-CudaSpace::size_type cuda_internal_multiprocessor_count();
-CudaSpace::size_type cuda_internal_maximum_warp_count();
-CudaSpace::size_type cuda_internal_maximum_grid_count();
-CudaSpace::size_type cuda_internal_maximum_shared_words();
-
-CudaSpace::size_type cuda_internal_maximum_concurrent_block_count();
-
-CudaSpace::size_type * cuda_internal_scratch_flags( const CudaSpace::size_type size );
-CudaSpace::size_type * cuda_internal_scratch_space( const CudaSpace::size_type size );
-CudaSpace::size_type * cuda_internal_scratch_unified( const CudaSpace::size_type size );
-
-} // namespace Impl
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-#if defined( __CUDACC__ )
-
-/** \brief  Access to constant memory on the device */
-#ifdef KOKKOS_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE
-
-__device__ __constant__
-extern unsigned long kokkos_impl_cuda_constant_memory_buffer[] ;
-
-#else
-
-__device__ __constant__
-unsigned long kokkos_impl_cuda_constant_memory_buffer[ Kokkos::Impl::CudaTraits::ConstantMemoryUsage / sizeof(unsigned long) ] ;
-
-#endif
-
-namespace Kokkos {
-namespace Impl {
-  void* cuda_resize_scratch_space(std::int64_t bytes, bool force_shrink = false);
-}
-}
-
-template< typename T >
-inline
-__device__
-T * kokkos_impl_cuda_shared_memory()
-{ extern __shared__ Kokkos::CudaSpace::size_type sh[]; return (T*) sh ; }
-
-namespace Kokkos {
-namespace Impl {
-
-//----------------------------------------------------------------------------
-// See section B.17 of Cuda C Programming Guide Version 3.2
-// for discussion of
-//   __launch_bounds__(maxThreadsPerBlock,minBlocksPerMultiprocessor)
-// function qualifier which could be used to improve performance.
-//----------------------------------------------------------------------------
-// Maximize L1 cache and minimize shared memory:
-//   cudaFuncSetCacheConfig(MyKernel, cudaFuncCachePreferL1 );
-// For 2.0 capability: 48 KB L1 and 16 KB shared
-//----------------------------------------------------------------------------
-
-template< class DriverType>
-__global__
-static void cuda_parallel_launch_constant_memory()
-{
-  const DriverType & driver =
-    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
-
-  driver();
-}
-
-template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
-__global__
-__launch_bounds__(maxTperB, minBperSM)
-static void cuda_parallel_launch_constant_memory()
-{
-  const DriverType & driver =
-    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
-
-  driver();
-}
-
-template< class DriverType>
-__global__
-static void cuda_parallel_launch_local_memory( const DriverType driver )
-{
-  driver();
-}
-
-template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
-__global__
-__launch_bounds__(maxTperB, minBperSM)
-static void cuda_parallel_launch_local_memory( const DriverType driver )
-{
-  driver();
-}
-
-template < class DriverType
-         , class LaunchBounds = Kokkos::LaunchBounds<>
-         , bool Large = ( CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType) ) >
-struct CudaParallelLaunch ;
-
-template < class DriverType
-         , unsigned int MaxThreadsPerBlock
-         , unsigned int MinBlocksPerSM >
-struct CudaParallelLaunch< DriverType
-                         , Kokkos::LaunchBounds< MaxThreadsPerBlock 
-                                               , MinBlocksPerSM >
-                         , true >
-{
-  inline
-  CudaParallelLaunch( const DriverType & driver
-                    , const dim3       & grid
-                    , const dim3       & block
-                    , const int          shmem
-                    , const cudaStream_t stream = 0 )
-  {
-    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
-
-      if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
-           sizeof( DriverType ) ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: Functor is too large") );
-      }
-
-      // Fence before changing settings and copying closure
-      Kokkos::Cuda::fence();
-
-      if ( CudaTraits::SharedMemoryCapacity < shmem ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
-      }
-      #ifndef KOKKOS_ARCH_KEPLER
-      // On Kepler the L1 has no benefit since it doesn't cache reads
-      else {
-        CUDA_SAFE_CALL(
-          cudaFuncSetCacheConfig
-            ( cuda_parallel_launch_constant_memory
-                < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
-            , ( shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
-            ) );
-      }
-      #endif
-
-      // Copy functor to constant memory on the device
-      cudaMemcpyToSymbol(
-        kokkos_impl_cuda_constant_memory_buffer, &driver, sizeof(DriverType) );
-
-      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
-
-      // Invoke the driver function on the device
-      cuda_parallel_launch_constant_memory
-        < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
-          <<< grid , block , shmem , stream >>>();
-
-#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
-      CUDA_SAFE_CALL( cudaGetLastError() );
-      Kokkos::Cuda::fence();
-#endif
-    }
-  }
-};
-
-template < class DriverType >
-struct CudaParallelLaunch< DriverType
-                         , Kokkos::LaunchBounds<>
-                         , true >
-{
-  inline
-  CudaParallelLaunch( const DriverType & driver
-                    , const dim3       & grid
-                    , const dim3       & block
-                    , const int          shmem
-                    , const cudaStream_t stream = 0 )
-  {
-    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
-
-      if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
-           sizeof( DriverType ) ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: Functor is too large") );
-      }
-
-      // Fence before changing settings and copying closure
-      Kokkos::Cuda::fence();
-
-      if ( CudaTraits::SharedMemoryCapacity < shmem ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
-      }
-      #ifndef KOKKOS_ARCH_KEPLER
-      // On Kepler the L1 has no benefit since it doesn't cache reads
-      else {
-        CUDA_SAFE_CALL(
-          cudaFuncSetCacheConfig
-            ( cuda_parallel_launch_constant_memory< DriverType >
-            , ( shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
-            ) );
-      }
-      #endif
-
-      // Copy functor to constant memory on the device
-      cudaMemcpyToSymbol(
-        kokkos_impl_cuda_constant_memory_buffer, &driver, sizeof(DriverType) );
-
-      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
-
-      // Invoke the driver function on the device
-      cuda_parallel_launch_constant_memory< DriverType >
-          <<< grid , block , shmem , stream >>>();
-
-#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
-      CUDA_SAFE_CALL( cudaGetLastError() );
-      Kokkos::Cuda::fence();
-#endif
-    }
-  }
-};
-
-template < class DriverType
-         , unsigned int MaxThreadsPerBlock
-         , unsigned int MinBlocksPerSM >
-struct CudaParallelLaunch< DriverType
-                         , Kokkos::LaunchBounds< MaxThreadsPerBlock 
-                                               , MinBlocksPerSM >
-                         , false >
-{
-  inline
-  CudaParallelLaunch( const DriverType & driver
-                    , const dim3       & grid
-                    , const dim3       & block
-                    , const int          shmem
-                    , const cudaStream_t stream = 0 )
-  {
-    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
-
-      if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
-           sizeof( DriverType ) ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: Functor is too large") );
-      }
-
-      if ( CudaTraits::SharedMemoryCapacity < shmem ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
-      }
-      #ifndef KOKKOS_ARCH_KEPLER
-      // On Kepler the L1 has no benefit since it doesn't cache reads
-      else {
-        CUDA_SAFE_CALL(
-          cudaFuncSetCacheConfig
-            ( cuda_parallel_launch_local_memory
-                < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
-            , ( shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
-            ) );
-      }
-      #endif
-
-      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
-
-      // Invoke the driver function on the device
-      cuda_parallel_launch_local_memory
-        < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
-          <<< grid , block , shmem , stream >>>( driver );
-
-#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
-      CUDA_SAFE_CALL( cudaGetLastError() );
-      Kokkos::Cuda::fence();
-#endif
-    }
-  }
-};
-
-template < class DriverType >
-struct CudaParallelLaunch< DriverType
-                         , Kokkos::LaunchBounds<>
-                         , false >
-{
-  inline
-  CudaParallelLaunch( const DriverType & driver
-                    , const dim3       & grid
-                    , const dim3       & block
-                    , const int          shmem
-                    , const cudaStream_t stream = 0 )
-  {
-    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
-
-      if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
-           sizeof( DriverType ) ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: Functor is too large") );
-      }
-
-      if ( CudaTraits::SharedMemoryCapacity < shmem ) {
-        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
-      }
-      #ifndef KOKKOS_ARCH_KEPLER
-      // On Kepler the L1 has no benefit since it doesn't cache reads
-      else {
-        CUDA_SAFE_CALL(
-          cudaFuncSetCacheConfig
-            ( cuda_parallel_launch_local_memory< DriverType >
-            , ( shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
-            ) );
-      }
-      #endif
-
-      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
-
-      // Invoke the driver function on the device
-      cuda_parallel_launch_local_memory< DriverType >
-          <<< grid , block , shmem , stream >>>( driver );
-
-#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
-      CUDA_SAFE_CALL( cudaGetLastError() );
-      Kokkos::Cuda::fence();
-#endif
-    }
-  }
-};
-
-//----------------------------------------------------------------------------
-
-} // namespace Impl
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-#endif /* defined( __CUDACC__ ) */
-#endif /* defined( KOKKOS_ENABLE_CUDA ) */
-#endif /* #ifndef KOKKOS_CUDAEXEC_HPP */
-
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp b/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
index e13744e32790837c704903946eaddb5549c9dfde..4c9ed47085cc5a30b683d7c43fea75fc259cc89a 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
@@ -55,7 +55,7 @@
 #include <Kokkos_Cuda.hpp>
 #include <Kokkos_CudaSpace.hpp>
 
-#include <Cuda/Kokkos_Cuda_Internal.hpp>
+//#include <Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp>
 #include <impl/Kokkos_Error.hpp>
 
 #if defined(KOKKOS_ENABLE_PROFILING)
@@ -183,7 +183,7 @@ void * CudaUVMSpace::allocate( const size_t arg_alloc_size ) const
 
   enum { max_uvm_allocations = 65536 };
 
-  Cuda::fence();
+  Cuda::impl_static_fence();
   if ( arg_alloc_size > 0 )
   {
     Kokkos::Impl::num_uvm_allocations++;
@@ -194,7 +194,7 @@ void * CudaUVMSpace::allocate( const size_t arg_alloc_size ) const
 
     CUDA_SAFE_CALL( cudaMallocManaged( &ptr, arg_alloc_size , cudaMemAttachGlobal ) );
   }
-  Cuda::fence();
+  Cuda::impl_static_fence();
 
   return ptr ;
 }
@@ -217,14 +217,14 @@ void CudaSpace::deallocate( void * const arg_alloc_ptr , const size_t /* arg_all
 
 void CudaUVMSpace::deallocate( void * const arg_alloc_ptr , const size_t /* arg_alloc_size */ ) const
 {
-  Cuda::fence();
+  Cuda::impl_static_fence();
   try {
     if ( arg_alloc_ptr != nullptr ) {
       Kokkos::Impl::num_uvm_allocations--;
       CUDA_SAFE_CALL( cudaFree( arg_alloc_ptr ) );
     }
   } catch(...) {}
-  Cuda::fence();
+  Cuda::impl_static_fence();
 }
 
 void CudaHostPinnedSpace::deallocate( void * const arg_alloc_ptr , const size_t /* arg_alloc_size */ ) const
@@ -390,7 +390,7 @@ SharedAllocationRecord< Kokkos::CudaUVMSpace , void >::
 {
   #if defined(KOKKOS_ENABLE_PROFILING)
   if(Kokkos::Profiling::profileLibraryLoaded()) {
-    Cuda::fence(); //Make sure I can access the label ...
+    Cuda::impl_static_fence(); //Make sure I can access the label ...
     Kokkos::Profiling::deallocateData(
       Kokkos::Profiling::SpaceHandle(Kokkos::CudaUVMSpace::name()),RecordBase::m_alloc_ptr->m_label,
       data(),size());
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..9d4bcbc8cf196f9e198c801f6d6df41d77d44c51
--- /dev/null
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp
@@ -0,0 +1,657 @@
+/*
+@HEADER
+================================================================================
+
+ORIGINAL LICENSE
+----------------
+
+Copyright (c) 2018, NVIDIA Corporation
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in
+all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+THE SOFTWARE.
+
+================================================================================
+
+LICENSE ASSOCIATED WITH SUBSEQUENT MODIFICATIONS
+------------------------------------------------
+
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+@HEADER
+*/
+
+#include <Kokkos_Macros.hpp>
+#if defined(__CUDA_ARCH__) && defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+
+#include <cassert>
+
+#ifndef _SIMT_DETAILS_CONFIG
+#define _SIMT_DETAILS_CONFIG
+
+namespace Kokkos {
+namespace Impl {
+
+
+#ifndef __simt_scope
+// Modification: Kokkos GPU atomics should default to `gpu` scope
+#define __simt_scope "gpu"
+#endif
+
+#define __simt_fence_signal_() asm volatile("":::"memory")
+#define __simt_fence_sc_() asm volatile("fence.sc." __simt_scope ";":::"memory")
+#define __simt_fence_() asm volatile("fence." __simt_scope ";":::"memory")
+
+#define __simt_load_acquire_8_as_32(ptr,ret) asm volatile("ld.acquire." __simt_scope ".b8 %0, [%1];" : "=r"(ret) : "l"(ptr) : "memory")
+#define __simt_load_relaxed_8_as_32(ptr,ret) asm volatile("ld.relaxed." __simt_scope ".b8 %0, [%1];" : "=r"(ret) : "l"(ptr) : "memory")
+#define __simt_store_release_8_as_32(ptr,desired) asm volatile("st.release." __simt_scope ".b8 [%0], %1;" :: "l"(ptr), "r"(desired) : "memory")
+#define __simt_store_relaxed_8_as_32(ptr,desired) asm volatile("st.relaxed." __simt_scope ".b8 [%0], %1;" :: "l"(ptr), "r"(desired) : "memory")
+
+#define __simt_load_acquire_16(ptr,ret) asm volatile("ld.acquire." __simt_scope ".b16 %0, [%1];" : "=h"(ret) : "l"(ptr) : "memory")
+#define __simt_load_relaxed_16(ptr,ret) asm volatile("ld.relaxed." __simt_scope ".b16 %0, [%1];" : "=h"(ret) : "l"(ptr) : "memory")
+#define __simt_store_release_16(ptr,desired) asm volatile("st.release." __simt_scope ".b16 [%0], %1;" :: "l"(ptr), "h"(desired) : "memory")
+#define __simt_store_relaxed_16(ptr,desired) asm volatile("st.relaxed." __simt_scope ".b16 [%0], %1;" :: "l"(ptr), "h"(desired) : "memory")
+
+#define __simt_load_acquire_32(ptr,ret) asm volatile("ld.acquire." __simt_scope ".b32 %0, [%1];" : "=r"(ret) : "l"(ptr) : "memory")
+#define __simt_load_relaxed_32(ptr,ret) asm volatile("ld.relaxed." __simt_scope ".b32 %0, [%1];" : "=r"(ret) : "l"(ptr) : "memory")
+#define __simt_store_release_32(ptr,desired) asm volatile("st.release." __simt_scope ".b32 [%0], %1;" :: "l"(ptr), "r"(desired) : "memory")
+#define __simt_store_relaxed_32(ptr,desired) asm volatile("st.relaxed." __simt_scope ".b32 [%0], %1;" :: "l"(ptr), "r"(desired) : "memory")
+#define __simt_exch_release_32(ptr,old,desired) asm volatile("atom.exch.release." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(desired) : "memory")
+#define __simt_exch_acquire_32(ptr,old,desired) asm volatile("atom.exch.acquire." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(desired) : "memory")
+#define __simt_exch_acq_rel_32(ptr,old,desired) asm volatile("atom.exch.acq_rel." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(desired) : "memory")
+#define __simt_exch_relaxed_32(ptr,old,desired) asm volatile("atom.exch.relaxed." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(desired) : "memory")
+#define __simt_cas_release_32(ptr,old,expected,desired) asm volatile("atom.cas.release." __simt_scope ".b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#define __simt_cas_acquire_32(ptr,old,expected,desired) asm volatile("atom.cas.acquire." __simt_scope ".b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#define __simt_cas_acq_rel_32(ptr,old,expected,desired) asm volatile("atom.cas.acq_rel." __simt_scope ".b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#define __simt_cas_relaxed_32(ptr,old,expected,desired) asm volatile("atom.cas.relaxed." __simt_scope ".b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#define __simt_add_release_32(ptr,old,addend) asm volatile("atom.add.release." __simt_scope ".u32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(addend) : "memory")
+#define __simt_add_acquire_32(ptr,old,addend) asm volatile("atom.add.acquire." __simt_scope ".u32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(addend) : "memory")
+#define __simt_add_acq_rel_32(ptr,old,addend) asm volatile("atom.add.acq_rel." __simt_scope ".u32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(addend) : "memory")
+#define __simt_add_relaxed_32(ptr,old,addend) asm volatile("atom.add.relaxed." __simt_scope ".u32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(addend) : "memory")
+#define __simt_and_release_32(ptr,old,andend) asm volatile("atom.and.release." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(andend) : "memory")
+#define __simt_and_acquire_32(ptr,old,andend) asm volatile("atom.and.acquire." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(andend) : "memory")
+#define __simt_and_acq_rel_32(ptr,old,andend) asm volatile("atom.and.acq_rel." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(andend) : "memory")
+#define __simt_and_relaxed_32(ptr,old,andend) asm volatile("atom.and.relaxed." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(andend) : "memory")
+#define __simt_or_release_32(ptr,old,orend) asm volatile("atom.or.release." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(orend) : "memory")
+#define __simt_or_acquire_32(ptr,old,orend) asm volatile("atom.or.acquire." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(orend) : "memory")
+#define __simt_or_acq_rel_32(ptr,old,orend) asm volatile("atom.or.acq_rel." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(orend) : "memory")
+#define __simt_or_relaxed_32(ptr,old,orend) asm volatile("atom.or.relaxed." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(orend) : "memory")
+#define __simt_xor_release_32(ptr,old,xorend) asm volatile("atom.xor.release." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(xorend) : "memory")
+#define __simt_xor_acquire_32(ptr,old,xorend) asm volatile("atom.xor.acquire." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(xorend) : "memory")
+#define __simt_xor_acq_rel_32(ptr,old,xorend) asm volatile("atom.xor.acq_rel." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(xorend) : "memory")
+#define __simt_xor_relaxed_32(ptr,old,xorend) asm volatile("atom.xor.relaxed." __simt_scope ".b32 %0, [%1], %2;" : "=r"(old) : "l"(ptr), "r"(xorend) : "memory")
+
+#define __simt_load_acquire_64(ptr,ret) asm volatile("ld.acquire." __simt_scope ".b64 %0, [%1];" : "=l"(ret) : "l"(ptr) : "memory")
+#define __simt_load_relaxed_64(ptr,ret) asm volatile("ld.relaxed." __simt_scope ".b64 %0, [%1];" : "=l"(ret) : "l"(ptr) : "memory")
+#define __simt_store_release_64(ptr,desired) asm volatile("st.release." __simt_scope ".b64 [%0], %1;" :: "l"(ptr), "l"(desired) : "memory")
+#define __simt_store_relaxed_64(ptr,desired) asm volatile("st.relaxed." __simt_scope ".b64 [%0], %1;" :: "l"(ptr), "l"(desired) : "memory")
+#define __simt_exch_release_64(ptr,old,desired) asm volatile("atom.exch.release." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(desired) : "memory")
+#define __simt_exch_acquire_64(ptr,old,desired) asm volatile("atom.exch.acquire." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(desired) : "memory")
+#define __simt_exch_acq_rel_64(ptr,old,desired) asm volatile("atom.exch.acq_rel." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(desired) : "memory")
+#define __simt_exch_relaxed_64(ptr,old,desired) asm volatile("atom.exch.relaxed." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(desired) : "memory")
+#define __simt_cas_release_64(ptr,old,expected,desired) asm volatile("atom.cas.release." __simt_scope ".b64 %0, [%1], %2, %3;" : "=l"(old) : "l"(ptr), "l"(expected), "l"(desired) : "memory")
+#define __simt_cas_acquire_64(ptr,old,expected,desired) asm volatile("atom.cas.acquire." __simt_scope ".b64 %0, [%1], %2, %3;" : "=l"(old) : "l"(ptr), "l"(expected), "l"(desired) : "memory")
+#define __simt_cas_acq_rel_64(ptr,old,expected,desired) asm volatile("atom.cas.acq_rel." __simt_scope ".b64 %0, [%1], %2, %3;" : "=l"(old) : "l"(ptr), "l"(expected), "l"(desired) : "memory")
+#define __simt_cas_relaxed_64(ptr,old,expected,desired) asm volatile("atom.cas.relaxed." __simt_scope ".b64 %0, [%1], %2, %3;" : "=l"(old) : "l"(ptr), "l"(expected), "l"(desired) : "memory")
+#define __simt_add_release_64(ptr,old,addend) asm volatile("atom.add.release." __simt_scope ".u64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(addend) : "memory")
+#define __simt_add_acquire_64(ptr,old,addend) asm volatile("atom.add.acquire." __simt_scope ".u64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(addend) : "memory")
+#define __simt_add_acq_rel_64(ptr,old,addend) asm volatile("atom.add.acq_rel." __simt_scope ".u64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(addend) : "memory")
+#define __simt_add_relaxed_64(ptr,old,addend) asm volatile("atom.add.relaxed." __simt_scope ".u64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(addend) : "memory")
+#define __simt_and_release_64(ptr,old,andend) asm volatile("atom.and.release." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(andend) : "memory")
+#define __simt_and_acquire_64(ptr,old,andend) asm volatile("atom.and.acquire." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(andend) : "memory")
+#define __simt_and_acq_rel_64(ptr,old,andend) asm volatile("atom.and.acq_rel." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(andend) : "memory")
+#define __simt_and_relaxed_64(ptr,old,andend) asm volatile("atom.and.relaxed." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(andend) : "memory")
+#define __simt_or_release_64(ptr,old,orend) asm volatile("atom.or.release." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(orend) : "memory")
+#define __simt_or_acquire_64(ptr,old,orend) asm volatile("atom.or.acquire." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(orend) : "memory")
+#define __simt_or_acq_rel_64(ptr,old,orend) asm volatile("atom.or.acq_rel." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(orend) : "memory")
+#define __simt_or_relaxed_64(ptr,old,orend) asm volatile("atom.or.relaxed." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(orend) : "memory")
+#define __simt_xor_release_64(ptr,old,xorend) asm volatile("atom.xor.release." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(xorend) : "memory")
+#define __simt_xor_acquire_64(ptr,old,xorend) asm volatile("atom.xor.acquire." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(xorend) : "memory")
+#define __simt_xor_acq_rel_64(ptr,old,xorend) asm volatile("atom.xor.acq_rel." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(xorend) : "memory")
+#define __simt_xor_relaxed_64(ptr,old,xorend) asm volatile("atom.xor.relaxed." __simt_scope ".b64 %0, [%1], %2;" : "=l"(old) : "l"(ptr), "l"(xorend) : "memory")
+
+#define __simt_nanosleep(timeout) asm volatile("nanosleep.u32 %0;" :: "r"(unsigned(timeout)) : )
+
+/*
+    definitions
+*/
+
+#ifndef __GCC_ATOMIC_BOOL_LOCK_FREE
+#define __GCC_ATOMIC_BOOL_LOCK_FREE 2
+#define __GCC_ATOMIC_CHAR_LOCK_FREE 2
+#define __GCC_ATOMIC_CHAR16_T_LOCK_FREE 2
+#define __GCC_ATOMIC_CHAR32_T_LOCK_FREE 2
+#define __GCC_ATOMIC_WCHAR_T_LOCK_FREE 2
+#define __GCC_ATOMIC_SHORT_LOCK_FREE 2
+#define __GCC_ATOMIC_INT_LOCK_FREE 2
+#define __GCC_ATOMIC_LONG_LOCK_FREE 2
+#define __GCC_ATOMIC_LLONG_LOCK_FREE 2
+#define __GCC_ATOMIC_POINTER_LOCK_FREE 2
+#endif
+
+#ifndef __ATOMIC_RELAXED
+#define __ATOMIC_RELAXED 0
+#define __ATOMIC_CONSUME 1
+#define __ATOMIC_ACQUIRE 2
+#define __ATOMIC_RELEASE 3
+#define __ATOMIC_ACQ_REL 4
+#define __ATOMIC_SEQ_CST 5
+#endif
+
+inline __device__ int __stronger_order_simt_(int a, int b) {
+    if (b == __ATOMIC_SEQ_CST) return __ATOMIC_SEQ_CST;
+    if (b == __ATOMIC_RELAXED) return a;
+    switch (a) {
+    case __ATOMIC_SEQ_CST:
+    case __ATOMIC_ACQ_REL: return a;
+    case __ATOMIC_CONSUME:
+    case __ATOMIC_ACQUIRE: if (b != __ATOMIC_ACQUIRE) return __ATOMIC_ACQ_REL; else return __ATOMIC_ACQUIRE;
+    case __ATOMIC_RELEASE: if (b != __ATOMIC_RELEASE) return __ATOMIC_ACQ_REL; else return __ATOMIC_RELEASE;
+    case __ATOMIC_RELAXED: return b;
+    default: assert(0);
+    }
+    return __ATOMIC_SEQ_CST;
+}
+
+/*
+    base
+*/
+
+#define DO__atomic_load_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+void __device__ __atomic_load_simt_ (const type *ptr, type *ret, int memorder) { \
+    int##bits##_t tmp = 0; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_load_acquire_##bits(ptr, tmp); break; \
+    case __ATOMIC_RELAXED: __simt_load_relaxed_##bits(ptr, tmp); break; \
+    default: assert(0); \
+    } \
+    memcpy(ret, &tmp, bytes); \
+}
+DO__atomic_load_simt_(1,32)
+DO__atomic_load_simt_(2,16)
+DO__atomic_load_simt_(4,32)
+DO__atomic_load_simt_(8,64)
+
+template<class type>
+type __device__ __atomic_load_n_simt_(const type *ptr, int memorder) {
+    type ret;
+    __atomic_load_simt_(ptr, &ret, memorder);
+    return ret;
+}
+
+#define DO__atomic_store_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+void __device__ __atomic_store_simt_ (type *ptr, type *val, int memorder) { \
+    int##bits##_t tmp = 0; \
+    memcpy(&tmp, val, bytes); \
+    switch (memorder) { \
+    case __ATOMIC_RELEASE: __simt_store_release_##bits(ptr, tmp); break; \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_RELAXED: __simt_store_relaxed_##bits(ptr, tmp); break; \
+    default: assert(0); \
+    } \
+}
+DO__atomic_store_simt_(1,32)
+DO__atomic_store_simt_(2,16)
+DO__atomic_store_simt_(4,32)
+DO__atomic_store_simt_(8,64)
+
+template<class type>
+void __device__ __atomic_store_n_simt_(type *ptr, type val, int memorder) {
+    __atomic_store_simt_(ptr, &val, memorder);
+}
+
+#define DO__atomic_compare_exchange_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+bool __device__ __atomic_compare_exchange_simt_ (type *ptr, type *expected, const type *desired, bool, int success_memorder, int failure_memorder) { \
+    int##bits##_t tmp = 0, old = 0, old_tmp; \
+    memcpy(&tmp, desired, bytes); \
+    memcpy(&old, expected, bytes); \
+    old_tmp = old; \
+    switch (__stronger_order_simt_(success_memorder, failure_memorder)) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_cas_acquire_##bits(ptr, old, old_tmp, tmp); break; \
+    case __ATOMIC_ACQ_REL: __simt_cas_acq_rel_##bits(ptr, old, old_tmp, tmp); break; \
+    case __ATOMIC_RELEASE: __simt_cas_release_##bits(ptr, old, old_tmp, tmp); break; \
+    case __ATOMIC_RELAXED: __simt_cas_relaxed_##bits(ptr, old, old_tmp, tmp); break; \
+    default: assert(0); \
+    } \
+    bool const ret = old == old_tmp; \
+    memcpy(expected, &old, bytes); \
+    return ret; \
+}
+DO__atomic_compare_exchange_simt_(4, 32)
+DO__atomic_compare_exchange_simt_(8, 64)
+
+template<class type, typename std::enable_if<sizeof(type) <= 2, int>::type = 0> \
+bool __device__ __atomic_compare_exchange_simt_(type *ptr, type *expected, const type *desired, bool, int success_memorder, int failure_memorder) {
+
+    using R = typename std::conditional<std::is_volatile<type>::value, volatile uint32_t, uint32_t>::type;
+    auto const aligned = (R*)((intptr_t)ptr & ~(sizeof(uint32_t) - 1));
+    auto const offset = uint32_t((intptr_t)ptr & (sizeof(uint32_t) - 1)) * 8;
+    auto const mask = ((1 << sizeof(type)*8) - 1) << offset;
+
+    uint32_t old = *expected << offset, old_value;
+    while (1) {
+        old_value = (old & mask) >> offset;
+        if (old_value != *expected)
+            break;
+        uint32_t const attempt = (old & ~mask) | (*desired << offset);
+        if (__atomic_compare_exchange_simt_ (aligned, &old, &attempt, true, success_memorder, failure_memorder))
+            return true;
+    }
+    *expected = old_value;
+    return false;
+}
+
+template<class type>
+bool __device__ __atomic_compare_exchange_n_simt_(type *ptr, type *expected, type desired, bool weak, int success_memorder, int failure_memorder) {
+    return __atomic_compare_exchange_simt_(ptr, expected, &desired, weak, success_memorder, failure_memorder);
+}
+
+#define DO__atomic_exchange_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+void __device__ __atomic_exchange_simt_ (type *ptr, type *val, type *ret, int memorder) { \
+    int##bits##_t tmp = 0; \
+    memcpy(&tmp, val, bytes); \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_exch_acquire_##bits(ptr, tmp, tmp); break; \
+    case __ATOMIC_ACQ_REL: __simt_exch_acq_rel_##bits(ptr, tmp, tmp); break; \
+    case __ATOMIC_RELEASE: __simt_exch_release_##bits(ptr, tmp, tmp); break; \
+    case __ATOMIC_RELAXED: __simt_exch_relaxed_##bits(ptr, tmp, tmp); break; \
+    default: assert(0); \
+    } \
+    memcpy(ret, &tmp, bytes); \
+}
+DO__atomic_exchange_simt_(4,32)
+DO__atomic_exchange_simt_(8,64)
+
+template<class type, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+void __device__ __atomic_exchange_simt_ (type *ptr, type *val, type *ret, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, val, true, memorder, memorder))
+        ;
+    *ret = expected;
+}
+
+template<class type>
+type __device__ __atomic_exchange_n_simt_(type *ptr, type val, int memorder) {
+    type ret;
+    __atomic_exchange_simt_(ptr, &val, &ret, memorder);
+    return ret;
+}
+
+#define DO__atomic_fetch_add_simt_(bytes, bits) \
+template<class type, class delta, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+type __device__ __atomic_fetch_add_simt_ (type *ptr, delta val, int memorder) { \
+    type ret; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_add_acquire_##bits(ptr, ret, val); break; \
+    case __ATOMIC_ACQ_REL: __simt_add_acq_rel_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELEASE: __simt_add_release_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELAXED: __simt_add_relaxed_##bits(ptr, ret, val); break; \
+    default: assert(0); \
+    } \
+    return ret; \
+}
+DO__atomic_fetch_add_simt_(4, 32)
+DO__atomic_fetch_add_simt_(8, 64)
+
+template<class type, class delta, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+type __device__ __atomic_fetch_add_simt_ (type *ptr, delta val, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    type const desired = expected + val;
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, &desired, true, memorder, memorder))
+        ;
+    return expected;
+}
+
+#define DO__atomic_fetch_sub_simt_(bytes, bits) \
+template<class type, class delta, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+type __device__ __atomic_fetch_sub_simt_ (type *ptr, delta val, int memorder) { \
+    type ret; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_add_acquire_##bits(ptr, ret, -val); break; \
+    case __ATOMIC_ACQ_REL: __simt_add_acq_rel_##bits(ptr, ret, -val); break; \
+    case __ATOMIC_RELEASE: __simt_add_release_##bits(ptr, ret, -val); break; \
+    case __ATOMIC_RELAXED: __simt_add_relaxed_##bits(ptr, ret, -val); break; \
+    default: assert(0); \
+    } \
+    return ret; \
+}
+DO__atomic_fetch_sub_simt_(4,32)
+DO__atomic_fetch_sub_simt_(8,64)
+
+template<class type, class delta, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+type __device__ __atomic_fetch_sub_simt_ (type *ptr, delta val, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    type const desired = expected - val;
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, &desired, true, memorder, memorder))
+        ;
+    return expected;
+}
+
+#define DO__atomic_fetch_and_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+type __device__ __atomic_fetch_and_simt_ (type *ptr, type val, int memorder) { \
+    type ret; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_and_acquire_##bits(ptr, ret, val); break; \
+    case __ATOMIC_ACQ_REL: __simt_and_acq_rel_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELEASE: __simt_and_release_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELAXED: __simt_and_relaxed_##bits(ptr, ret, val); break; \
+    default: assert(0); \
+    } \
+    return ret; \
+}
+DO__atomic_fetch_and_simt_(4,32)
+DO__atomic_fetch_and_simt_(8,64)
+
+template<class type, class delta, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+type __device__ __atomic_fetch_and_simt_ (type *ptr, delta val, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    type const desired = expected & val;
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, &desired, true, memorder, memorder))
+        ;
+    return expected;
+}
+
+#define DO__atomic_fetch_xor_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+type __device__ __atomic_fetch_xor_simt_ (type *ptr, type val, int memorder) { \
+    type ret; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_xor_acquire_##bits(ptr, ret, val); break; \
+    case __ATOMIC_ACQ_REL: __simt_xor_acq_rel_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELEASE: __simt_xor_release_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELAXED: __simt_xor_relaxed_##bits(ptr, ret, val); break; \
+    default: assert(0); \
+    } \
+    return ret; \
+}
+DO__atomic_fetch_xor_simt_(4,32)
+DO__atomic_fetch_xor_simt_(8,64)
+
+template<class type, class delta, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+type __device__ __atomic_fetch_xor_simt_ (type *ptr, delta val, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    type const desired = expected ^ val;
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, &desired, true, memorder, memorder))
+        ;
+    return expected;
+}
+
+#define DO__atomic_fetch_or_simt_(bytes, bits) \
+template<class type, typename std::enable_if<sizeof(type)==bytes, int>::type = 0> \
+type __device__ __atomic_fetch_or_simt_ (type *ptr, type val, int memorder) { \
+    type ret; \
+    switch (memorder) { \
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); \
+    case __ATOMIC_CONSUME: \
+    case __ATOMIC_ACQUIRE: __simt_or_acquire_##bits(ptr, ret, val); break; \
+    case __ATOMIC_ACQ_REL: __simt_or_acq_rel_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELEASE: __simt_or_release_##bits(ptr, ret, val); break; \
+    case __ATOMIC_RELAXED: __simt_or_relaxed_##bits(ptr, ret, val); break; \
+    default: assert(0); \
+    } \
+    return ret; \
+}
+DO__atomic_fetch_or_simt_(4,32)
+DO__atomic_fetch_or_simt_(8,64)
+
+template<class type, class delta, typename std::enable_if<sizeof(type)<=2, int>::type = 0>
+type __device__ __atomic_fetch_or_simt_ (type *ptr, delta val, int memorder) {
+
+    type expected = __atomic_load_n_simt_(ptr, __ATOMIC_RELAXED);
+    type const desired = expected | val;
+    while(!__atomic_compare_exchange_simt_(ptr, &expected, &desired, true, memorder, memorder))
+        ;
+    return expected;
+}
+
+template<class type>
+inline bool __device__ __atomic_test_and_set_simt_(type *ptr, int memorder) {
+    return __atomic_exchange_n_simt_((char*)ptr, (char)1, memorder) == 1;
+}
+template<class type>
+inline void __device__ __atomic_clear_simt_(type *ptr, int memorder) {
+    return __atomic_store_n_simt_((char*)ptr, (char)0, memorder);
+}
+
+inline constexpr __device__ bool __atomic_always_lock_free_simt_ (size_t size, void *) {
+    return size <= 8;
+}
+inline __device__ bool __atomic_is_lock_free_simt_(size_t size, void * ptr) {
+    return __atomic_always_lock_free_simt_(size, ptr);
+}
+
+/*
+    fences
+*/
+
+inline void __device__ __atomic_thread_fence_simt(int memorder) {
+    switch (memorder) {
+    case __ATOMIC_SEQ_CST: __simt_fence_sc_(); break;
+    case __ATOMIC_CONSUME:
+    case __ATOMIC_ACQUIRE:
+    case __ATOMIC_ACQ_REL:
+    case __ATOMIC_RELEASE: __simt_fence_(); break;
+    case __ATOMIC_RELAXED: break;
+    default: assert(0);
+    }
+}
+inline void __device__ __atomic_signal_fence_simt(int memorder) { 
+    __atomic_thread_fence_simt(memorder);
+}
+
+/*
+    non-volatile
+*/
+
+template<class type> type __device__ __atomic_load_n_simt(const type *ptr, int memorder) {
+    return __atomic_load_n_simt_(const_cast<const type*>(ptr), memorder);
+}
+template<class type> void __device__ __atomic_load_simt(const type *ptr, type *ret, int memorder) {
+    __atomic_load_simt_(const_cast<const type*>(ptr), ret, memorder);
+}
+template<class type> void __device__ __atomic_store_n_simt(type *ptr, type val, int memorder) {
+    __atomic_store_n_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> void __device__ __atomic_store_simt(type *ptr, type *val, int memorder) {
+    __atomic_store_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_exchange_n_simt(type *ptr, type val, int memorder) {
+    return __atomic_exchange_n_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> void __device__ __atomic_exchange_simt(type *ptr, type *val, type *ret, int memorder) {
+    __atomic_exchange_simt_(const_cast<type*>(ptr), val, ret, memorder);
+}
+template<class type> bool __device__ __atomic_compare_exchange_n_simt(type *ptr, type *expected, type desired, bool weak, int success_memorder, int failure_memorder) {
+    return __atomic_compare_exchange_n_simt_(const_cast<type*>(ptr), expected, desired, weak, success_memorder, failure_memorder);
+}
+template<class type> bool __device__ __atomic_compare_exchange_simt(type *ptr, type *expected, type *desired, bool weak, int success_memorder, int failure_memorder) {
+    return __atomic_compare_exchange_simt_(const_cast<type*>(ptr), expected, desired, weak, success_memorder, failure_memorder);
+}
+template<class type, class delta> type __device__ __atomic_fetch_add_simt(type *ptr, delta val, int memorder) {
+    return __atomic_fetch_add_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type, class delta> type __device__ __atomic_fetch_sub_simt(type *ptr, delta val, int memorder) {
+    return __atomic_fetch_sub_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_and_simt(type *ptr, type val, int memorder) {
+    return __atomic_fetch_and_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_xor_simt(type *ptr, type val, int memorder) {
+    return __atomic_fetch_xor_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_or_simt(type *ptr, type val, int memorder) {
+    return __atomic_fetch_or_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> bool __device__ __atomic_test_and_set_simt(void *ptr, int memorder) {
+    return __atomic_test_and_set_simt_(const_cast<void*>(ptr), memorder);
+}
+template<class type> void __device__ __atomic_clear_simt(void *ptr, int memorder) {
+    return __atomic_clear_simt_(const_cast<void*>(ptr), memorder);
+}
+inline bool __device__ __atomic_always_lock_free_simt(size_t size, void *ptr) {
+    return __atomic_always_lock_free_simt_(size, const_cast<void*>(ptr));
+}
+inline bool __device__ __atomic_is_lock_free_simt(size_t size, void *ptr) {
+    return __atomic_is_lock_free_simt_(size, const_cast<void*>(ptr));
+}
+
+/*
+    volatile 
+*/
+
+template<class type> type __device__ __atomic_load_n_simt(const volatile type *ptr, int memorder) {
+    return __atomic_load_n_simt_(const_cast<const type*>(ptr), memorder);
+}
+template<class type> void __device__ __atomic_load_simt(const volatile type *ptr, type *ret, int memorder) {
+    __atomic_load_simt_(const_cast<const type*>(ptr), ret, memorder);
+}
+template<class type> void __device__ __atomic_store_n_simt(volatile type *ptr, type val, int memorder) {
+    __atomic_store_n_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> void __device__ __atomic_store_simt(volatile type *ptr, type *val, int memorder) {
+    __atomic_store_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_exchange_n_simt(volatile type *ptr, type val, int memorder) {
+    return __atomic_exchange_n_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> void __device__ __atomic_exchange_simt(volatile type *ptr, type *val, type *ret, int memorder) {
+    __atomic_exchange_simt_(const_cast<type*>(ptr), val, ret, memorder);
+}
+template<class type> bool __device__ __atomic_compare_exchange_n_simt(volatile type *ptr, type *expected, type desired, bool weak, int success_memorder, int failure_memorder) {
+    return __atomic_compare_exchange_n_simt_(const_cast<type*>(ptr), expected, desired, weak, success_memorder, failure_memorder);
+}
+template<class type> bool __device__ __atomic_compare_exchange_simt(volatile type *ptr, type *expected, type *desired, bool weak, int success_memorder, int failure_memorder) {
+    return __atomic_compare_exchange_simt_(const_cast<type*>(ptr), expected, desired, weak, success_memorder, failure_memorder);
+}
+template<class type, class delta> type __device__ __atomic_fetch_add_simt(volatile type *ptr, delta val, int memorder) {
+    return __atomic_fetch_add_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type, class delta> type __device__ __atomic_fetch_sub_simt(volatile type *ptr, delta val, int memorder) {
+    return __atomic_fetch_sub_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_and_simt(volatile type *ptr, type val, int memorder) {
+    return __atomic_fetch_and_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_xor_simt(volatile type *ptr, type val, int memorder) {
+    return __atomic_fetch_xor_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> type __device__ __atomic_fetch_or_simt(volatile type *ptr, type val, int memorder) {
+    return __atomic_fetch_or_simt_(const_cast<type*>(ptr), val, memorder);
+}
+template<class type> bool __device__ __atomic_test_and_set_simt(volatile void *ptr, int memorder) {
+    return __atomic_test_and_set_simt_(const_cast<void*>(ptr), memorder);
+}
+template<class type> void __device__ __atomic_clear_simt(volatile void *ptr, int memorder) {
+    return __atomic_clear_simt_(const_cast<void*>(ptr), memorder);
+}
+
+
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+#endif //_SIMT_DETAILS_CONFIG
+
+#ifndef KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
+/*
+    builtins
+*/
+
+#define __atomic_load_n __atomic_load_n_simt
+#define __atomic_load __atomic_load_simt
+#define __atomic_store_n __atomic_store_n_simt
+#define __atomic_store __atomic_store_simt
+#define __atomic_exchange_n __atomic_exchange_n_simt
+#define __atomic_exchange __atomic_exchange_simt
+#define __atomic_compare_exchange_n __atomic_compare_exchange_n_simt
+#define __atomic_compare_exchange __atomic_compare_exchange_simt
+#define __atomic_fetch_add __atomic_fetch_add_simt
+#define __atomic_fetch_sub __atomic_fetch_sub_simt
+#define __atomic_fetch_and __atomic_fetch_and_simt
+#define __atomic_fetch_xor __atomic_fetch_xor_simt
+#define __atomic_fetch_or __atomic_fetch_or_simt
+#define __atomic_test_and_set __atomic_test_and_set_simt
+#define __atomic_clear __atomic_clear_simt
+#define __atomic_always_lock_free __atomic_always_lock_free_simt
+#define __atomic_is_lock_free __atomic_is_lock_free_simt
+#define __atomic_thread_fence __atomic_thread_fence_simt
+#define __atomic_signal_fence __atomic_signal_fence_simt
+
+#define KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
+
+#endif //__CUDA_ARCH__ && KOKKOS_ENABLE_CUDA_ASM_ATOMICS
+#endif // KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..bedb1472275cd640b475b393b4f1c52eadf49d05
--- /dev/null
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp
@@ -0,0 +1,68 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifdef KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
+
+#undef __atomic_load_n
+#undef __atomic_load
+#undef __atomic_store_n
+#undef __atomic_store
+#undef __atomic_exchange_n
+#undef __atomic_exchange
+#undef __atomic_compare_exchange_n
+#undef __atomic_compare_exchange
+#undef __atomic_fetch_add
+#undef __atomic_fetch_sub
+#undef __atomic_fetch_and
+#undef __atomic_fetch_xor
+#undef __atomic_fetch_or
+#undef __atomic_test_and_set
+#undef __atomic_clear
+#undef __atomic_always_lock_free
+#undef __atomic_is_lock_free
+#undef __atomic_thread_fence
+#undef __atomic_signal_fence
+
+#undef KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
+
+#endif // KOKKOS_SIMT_ATOMIC_BUILTIN_REPLACEMENTS_DEFINED
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp
similarity index 69%
rename from lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp
rename to lib/kokkos/core/src/Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp
index 145d93ed76b3a0ef4f574bab1c4dd6bfae1ee67d..932bde2b37e8835acab7805c79e4ba2e13ee1337 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp
@@ -58,7 +58,68 @@ struct CudaGetMaxBlockSize;
 template<class DriverType, class LaunchBounds>
 int cuda_get_max_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
-  return CudaGetMaxBlockSize<DriverType,LaunchBounds,(CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>::get_block_size(f,vector_length, shmem_extra_block,shmem_extra_thread);
+  return CudaGetMaxBlockSize<DriverType,LaunchBounds
+          , true
+      >::get_block_size(f,vector_length, shmem_extra_block,shmem_extra_thread);
+}
+
+template<class FunctorType, class LaunchBounds>
+int cuda_get_max_block_size(const CudaInternal* cuda_instance, const cudaFuncAttributes& attr, const FunctorType& f, const size_t vector_length,
+    const size_t shmem_block, const size_t shmem_thread) {
+
+  const int min_blocks_per_sm = LaunchBounds::minBperSM == 0 ?
+                                     1 : LaunchBounds::minBperSM ;
+  const int max_threads_per_block = LaunchBounds::maxTperB == 0 ?
+                                     cuda_instance->m_maxThreadsPerBlock : LaunchBounds::maxTperB ;
+
+  const int regs_per_thread = attr.numRegs;
+  const int regs_per_sm = cuda_instance->m_regsPerSM;
+  const int shmem_per_sm = cuda_instance->m_shmemPerSM;
+  const int max_shmem_per_block = cuda_instance->m_maxShmemPerBlock;
+  const int max_blocks_per_sm = cuda_instance->m_maxBlocksPerSM;
+  const int max_threads_per_sm = cuda_instance->m_maxThreadsPerSM;
+
+  int block_size = std::min(attr.maxThreadsPerBlock,max_threads_per_block);
+
+  int functor_shmem = FunctorTeamShmemSize< FunctorType  >::value( f , block_size/vector_length );
+  int total_shmem = shmem_block + shmem_thread*(block_size/vector_length) + functor_shmem + attr.sharedSizeBytes;
+  int max_blocks_regs = regs_per_sm/(regs_per_thread*block_size);
+  int max_blocks_shmem = (total_shmem<max_shmem_per_block)?(total_shmem>0?shmem_per_sm/total_shmem:max_blocks_regs):0;
+  int blocks_per_sm = std::min(max_blocks_regs,max_blocks_shmem);
+  int threads_per_sm = blocks_per_sm * block_size;
+  if(threads_per_sm > max_threads_per_sm) {
+    blocks_per_sm = max_threads_per_sm/block_size;
+    threads_per_sm = blocks_per_sm * block_size;
+  }
+  int opt_block_size = (blocks_per_sm>=min_blocks_per_sm) ? block_size : 0;
+  int opt_threads_per_sm = threads_per_sm;
+  //printf("BlockSizeMax: %i Shmem: %i %i %i %i Regs: %i %i Blocks: %i %i Achieved: %i %i Opt: %i %i\n",block_size,
+  //   shmem_per_sm,max_shmem_per_block,functor_shmem,total_shmem,
+  //   regs_per_sm,regs_per_thread,max_blocks_shmem,max_blocks_regs,blocks_per_sm,threads_per_sm,opt_block_size,opt_threads_per_sm);
+  block_size-=32;
+  while ((blocks_per_sm==0) && (block_size>=32)) {
+    functor_shmem = FunctorTeamShmemSize< FunctorType  >::value( f , block_size/vector_length );
+    total_shmem = shmem_block + shmem_thread*(block_size/vector_length) + functor_shmem + attr.sharedSizeBytes;
+    max_blocks_regs = regs_per_sm/(regs_per_thread*block_size);
+    max_blocks_shmem = (total_shmem<max_shmem_per_block)?(total_shmem>0?shmem_per_sm/total_shmem:max_blocks_regs):0;
+    blocks_per_sm = std::min(max_blocks_regs,max_blocks_shmem);
+    threads_per_sm = blocks_per_sm * block_size;
+    if(threads_per_sm > max_threads_per_sm) {
+      blocks_per_sm = max_threads_per_sm/block_size;
+      threads_per_sm = blocks_per_sm * block_size;
+    }
+    if((blocks_per_sm >= min_blocks_per_sm) && (blocks_per_sm <= max_blocks_per_sm)) {
+      if(threads_per_sm>=opt_threads_per_sm) {
+        opt_block_size = block_size;
+        opt_threads_per_sm = threads_per_sm;
+      }
+    }
+  //printf("BlockSizeMax: %i Shmem: %i %i %i %i Regs: %i %i Blocks: %i %i Achieved: %i %i Opt: %i %i\n",block_size,
+  //   shmem_per_sm,max_shmem_per_block,functor_shmem,total_shmem,
+  //   regs_per_sm,regs_per_thread,max_blocks_shmem,max_blocks_regs,blocks_per_sm,threads_per_sm,opt_block_size,opt_threads_per_sm);
+    block_size-=32;
+  }
+  return opt_block_size;
 }
 
 
@@ -241,11 +302,71 @@ struct CudaGetOptBlockSize;
 template<class DriverType, class LaunchBounds>
 int cuda_get_opt_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
-  return CudaGetOptBlockSize<DriverType,LaunchBounds,(CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>::get_block_size(f,vector_length,shmem_extra_block,shmem_extra_thread);
+  return CudaGetOptBlockSize<DriverType,LaunchBounds,
+      //LaunchBounds::launch_mechanism == Kokkos::Experimental::LaunchDefault ?
+      //            (( CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType) )?
+      //                   Kokkos::Experimental::CudaLaunchConstantMemory:Kokkos::Experimental::CudaLaunchLocalMemory):
+      //             LaunchBounds::launch_mechanism
+      (CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))
+      >::get_block_size(f,vector_length,shmem_extra_block,shmem_extra_thread);
+}
+
+template<class FunctorType, class LaunchBounds>
+int cuda_get_opt_block_size(const CudaInternal* cuda_instance, const cudaFuncAttributes& attr, const FunctorType& f, const size_t vector_length,
+    const size_t shmem_block, const size_t shmem_thread) {
+
+  const int min_blocks_per_sm = LaunchBounds::minBperSM == 0 ?
+                                     1 : LaunchBounds::minBperSM ;
+  const int max_threads_per_block = LaunchBounds::maxTperB == 0 ?
+                                     cuda_instance->m_maxThreadsPerBlock : LaunchBounds::maxTperB ;
+
+  const int regs_per_thread = attr.numRegs;
+  const int regs_per_sm = cuda_instance->m_regsPerSM;
+  const int shmem_per_sm = cuda_instance->m_shmemPerSM;
+  const int max_shmem_per_block = cuda_instance->m_maxShmemPerBlock;
+  const int max_blocks_per_sm = cuda_instance->m_maxBlocksPerSM;
+  const int max_threads_per_sm = cuda_instance->m_maxThreadsPerSM;
+
+  int block_size = std::min(attr.maxThreadsPerBlock,max_threads_per_block);
+
+  int functor_shmem = FunctorTeamShmemSize< FunctorType  >::value( f , block_size/vector_length );
+  int total_shmem = shmem_block + shmem_thread*(block_size/vector_length) + functor_shmem + attr.sharedSizeBytes;
+  int max_blocks_regs = regs_per_sm/(regs_per_thread*block_size);
+  int max_blocks_shmem = (total_shmem<max_shmem_per_block)?(total_shmem>0?shmem_per_sm/total_shmem:max_blocks_regs):0;
+  int blocks_per_sm = std::min(max_blocks_regs,max_blocks_shmem);
+  int threads_per_sm = blocks_per_sm * block_size;
+  if(threads_per_sm > max_threads_per_sm) {
+    blocks_per_sm = max_threads_per_sm/block_size;
+    threads_per_sm = blocks_per_sm * block_size;
+  }
+  int opt_block_size = (blocks_per_sm>=min_blocks_per_sm) ? block_size : 0;
+  int opt_threads_per_sm = threads_per_sm;
+
+  block_size-=32;
+  while ((block_size>=32)) {
+    functor_shmem = FunctorTeamShmemSize< FunctorType  >::value( f , block_size/vector_length );
+    total_shmem = shmem_block + shmem_thread*(block_size/vector_length) + functor_shmem + attr.sharedSizeBytes;
+    max_blocks_regs = regs_per_sm/(regs_per_thread*block_size);
+    max_blocks_shmem = (total_shmem<max_shmem_per_block)?(total_shmem>0?shmem_per_sm/total_shmem:max_blocks_regs):0;
+    blocks_per_sm = std::min(max_blocks_regs,max_blocks_shmem);
+    threads_per_sm = blocks_per_sm * block_size;
+    if(threads_per_sm > max_threads_per_sm) {
+      blocks_per_sm = max_threads_per_sm/block_size;
+      threads_per_sm = blocks_per_sm * block_size;
+    }
+    if((blocks_per_sm >= min_blocks_per_sm) && (blocks_per_sm <= max_blocks_per_sm)) {
+      if(threads_per_sm>=opt_threads_per_sm) {
+        opt_block_size = block_size;
+        opt_threads_per_sm = threads_per_sm;
+      }
+    }
+    block_size-=32;
+  }
+  return opt_block_size;
 }
 
 template<class DriverType>
-struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,true> {
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<0,0>,true> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int blockSize=16;
@@ -275,7 +396,7 @@ struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,true> {
 };
 
 template<class DriverType>
-struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,false> {
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<0,0>,false> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int blockSize=16;
@@ -305,7 +426,7 @@ struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,false> {
 };
 
 template<class DriverType, unsigned int MaxThreadsPerBlock, unsigned int MinBlocksPerSM>
-struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds< MaxThreadsPerBlock, MinBlocksPerSM >,true> {
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds< MaxThreadsPerBlock, MinBlocksPerSM>,true> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int blockSize=16;
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.cpp
similarity index 86%
rename from lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp
rename to lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.cpp
index 4fd7a9c69e2aa6457606c35e150ba0fa9630ad49..0ca9e3c16050ed300f5240406502d3b93f716308 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.cpp
@@ -50,7 +50,8 @@
 #include <Kokkos_Core.hpp>
 
 #include <Cuda/Kokkos_Cuda_Error.hpp>
-#include <Cuda/Kokkos_Cuda_Internal.hpp>
+#include <Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp>
+#include <Cuda/Kokkos_Cuda_Instance.hpp>
 #include <Cuda/Kokkos_Cuda_Locks.hpp>
 #include <impl/Kokkos_Error.hpp>
 #include <impl/Kokkos_Profiling_Interface.hpp>
@@ -217,78 +218,6 @@ const CudaInternalDevices & CudaInternalDevices::singleton()
 
 }
 
-//----------------------------------------------------------------------------
-
-class CudaInternal {
-private:
-
-  CudaInternal( const CudaInternal & );
-  CudaInternal & operator = ( const CudaInternal & );
-
-
-public:
-
-  typedef Cuda::size_type size_type ;
-
-  int         m_cudaDev ;
-  int         m_cudaArch ;
-  unsigned    m_multiProcCount ;
-  unsigned    m_maxWarpCount ;
-  unsigned    m_maxBlock ;
-  unsigned    m_maxSharedWords ;
-  uint32_t    m_maxConcurrency ;
-  size_type   m_scratchSpaceCount ;
-  size_type   m_scratchFlagsCount ;
-  size_type   m_scratchUnifiedCount ;
-  size_type   m_scratchUnifiedSupported ;
-  size_type   m_streamCount ;
-  size_type * m_scratchSpace ;
-  size_type * m_scratchFlags ;
-  size_type * m_scratchUnified ;
-  uint32_t  * m_scratchConcurrentBitset ;
-  cudaStream_t * m_stream ;
-
-  static int was_initialized;
-  static int was_finalized;
-
-  static CudaInternal & singleton();
-
-  int verify_is_initialized( const char * const label ) const ;
-
-  int is_initialized() const
-    { return 0 != m_scratchSpace && 0 != m_scratchFlags ; }
-
-  void initialize( int cuda_device_id , int stream_count );
-  void finalize();
-
-  void print_configuration( std::ostream & ) const ;
-
-  ~CudaInternal();
-
-  CudaInternal()
-    : m_cudaDev( -1 )
-    , m_cudaArch( -1 )
-    , m_multiProcCount( 0 )
-    , m_maxWarpCount( 0 )
-    , m_maxBlock( 0 )
-    , m_maxSharedWords( 0 )
-    , m_maxConcurrency( 0 )
-    , m_scratchSpaceCount( 0 )
-    , m_scratchFlagsCount( 0 )
-    , m_scratchUnifiedCount( 0 )
-    , m_scratchUnifiedSupported( 0 )
-    , m_streamCount( 0 )
-    , m_scratchSpace( 0 )
-    , m_scratchFlags( 0 )
-    , m_scratchUnified( 0 )
-    , m_scratchConcurrentBitset( 0 )
-    , m_stream( 0 )
-    {}
-
-  size_type * scratch_space( const size_type size );
-  size_type * scratch_flags( const size_type size );
-  size_type * scratch_unified( const size_type size );
-};
 
 int CudaInternal::was_initialized = 0;
 int CudaInternal::was_finalized = 0;
@@ -366,8 +295,11 @@ CudaInternal & CudaInternal::singleton()
   static CudaInternal self ;
   return self ;
 }
+void CudaInternal::fence() const {
+  cudaStreamSynchronize(m_stream);
+}
 
-void CudaInternal::initialize( int cuda_device_id , int stream_count )
+void CudaInternal::initialize( int cuda_device_id , cudaStream_t stream )
 {
   if ( was_finalized ) Kokkos::abort("Calling Cuda::initialize after Cuda::finalize is illegal\n");
   was_initialized = 1;
@@ -454,6 +386,15 @@ void CudaInternal::initialize( int cuda_device_id , int stream_count )
 
     m_maxBlock = cudaProp.maxGridSize[0] ;
 
+    m_shmemPerSM = cudaProp.sharedMemPerMultiprocessor ;
+    m_maxShmemPerBlock = cudaProp.sharedMemPerBlock ;
+    m_regsPerSM = cudaProp.regsPerMultiprocessor ;
+    m_maxBlocksPerSM = m_cudaArch < 500 ? 16 : (
+                       m_cudaArch < 750 ? 32 : (
+                       m_cudaArch == 750 ? 16 : 32));
+    m_maxThreadsPerSM = cudaProp.maxThreadsPerMultiProcessor ;
+    m_maxThreadsPerBlock = cudaProp.maxThreadsPerBlock ;
+
     //----------------------------------
 
     m_scratchUnifiedSupported = cudaProp.unifiedAddressing ;
@@ -482,10 +423,9 @@ void CudaInternal::initialize( int cuda_device_id , int stream_count )
     // Concurrent bitset for obtaining unique tokens from within
     // an executing kernel.
     {
-      const unsigned max_threads_per_sm = 2048 ; // up to capability 7.0
 
       m_maxConcurrency =
-        max_threads_per_sm * cudaProp.multiProcessorCount ;
+        m_maxThreadsPerSM * cudaProp.multiProcessorCount ;
 
       const int32_t buffer_bound =
          Kokkos::Impl::concurrent_bitset::buffer_bound( m_maxConcurrency );
@@ -507,11 +447,6 @@ void CudaInternal::initialize( int cuda_device_id , int stream_count )
     }
     //----------------------------------
 
-    if ( stream_count ) {
-      m_stream = (cudaStream_t*) ::malloc( stream_count * sizeof(cudaStream_t) );
-      m_streamCount = stream_count ;
-      for ( size_type i = 0 ; i < m_streamCount ; ++i ) m_stream[i] = 0 ;
-    }
   }
   else {
 
@@ -539,7 +474,7 @@ void CudaInternal::initialize( int cuda_device_id , int stream_count )
     if( Kokkos::show_warnings() && !cuda_launch_blocking() ) {
       std::cerr << "Kokkos::Cuda::initialize WARNING: Cuda is allocating into UVMSpace by default" << std::endl;
       std::cerr << "                                  without setting CUDA_LAUNCH_BLOCKING=1." << std::endl;
-      std::cerr << "                                  The code must call Cuda::fence() after each kernel" << std::endl;
+      std::cerr << "                                  The code must call Cuda().fence() after each kernel" << std::endl;
       std::cerr << "                                  or will likely crash when accessing data on the host." << std::endl;
     }
 
@@ -568,7 +503,10 @@ void CudaInternal::initialize( int cuda_device_id , int stream_count )
   #endif
 
   // Init the array for used for arbitrarily sized atomics
-  Impl::initialize_host_cuda_lock_arrays();
+  if(stream == 0)
+    Impl::initialize_host_cuda_lock_arrays();
+
+  m_stream = stream;
 }
 
 //----------------------------------------------------------------------------
@@ -578,7 +516,7 @@ enum { sizeScratchGrain = sizeof(ScratchGrain) };
 
 
 Cuda::size_type *
-CudaInternal::scratch_flags( const Cuda::size_type size )
+CudaInternal::scratch_flags( const Cuda::size_type size ) const 
 {
   if ( verify_is_initialized("scratch_flags") && m_scratchFlagsCount * sizeScratchGrain < size ) {
 
@@ -587,6 +525,9 @@ CudaInternal::scratch_flags( const Cuda::size_type size )
 
     typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::CudaSpace , void > Record ;
 
+    if( m_scratchFlags )
+      Record::decrement( Record::get_record( m_scratchFlags ) );
+
     Record * const r = Record::allocate( Kokkos::CudaSpace()
                                        , "InternalScratchFlags"
                                        , ( sizeof( ScratchGrain ) * m_scratchFlagsCount ) );
@@ -602,7 +543,7 @@ CudaInternal::scratch_flags( const Cuda::size_type size )
 }
 
 Cuda::size_type *
-CudaInternal::scratch_space( const Cuda::size_type size )
+CudaInternal::scratch_space( const Cuda::size_type size ) const 
 {
   if ( verify_is_initialized("scratch_space") && m_scratchSpaceCount * sizeScratchGrain < size ) {
 
@@ -610,6 +551,9 @@ CudaInternal::scratch_space( const Cuda::size_type size )
 
      typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::CudaSpace , void > Record ;
 
+     if( m_scratchSpace )
+       Record::decrement( Record::get_record( m_scratchSpace ) );
+
      Record * const r = Record::allocate( Kokkos::CudaSpace()
                                         , "InternalScratchSpace"
                                         , ( sizeof( ScratchGrain ) * m_scratchSpaceCount ) );
@@ -623,7 +567,7 @@ CudaInternal::scratch_space( const Cuda::size_type size )
 }
 
 Cuda::size_type *
-CudaInternal::scratch_unified( const Cuda::size_type size )
+CudaInternal::scratch_unified( const Cuda::size_type size ) const
 {
   if ( verify_is_initialized("scratch_unified") &&
        m_scratchUnifiedSupported && m_scratchUnifiedCount * sizeScratchGrain < size ) {
@@ -632,6 +576,9 @@ CudaInternal::scratch_unified( const Cuda::size_type size )
 
     typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::CudaHostPinnedSpace , void > Record ;
 
+    if( m_scratchUnified )
+      Record::decrement( Record::get_record( m_scratchUnified ) );
+
     Record * const r = Record::allocate( Kokkos::CudaHostPinnedSpace()
                                        , "InternalScratchUnified"
                                        , ( sizeof( ScratchGrain ) * m_scratchUnifiedCount ) );
@@ -644,6 +591,31 @@ CudaInternal::scratch_unified( const Cuda::size_type size )
   return m_scratchUnified ;
 }
 
+Cuda::size_type *
+CudaInternal::scratch_functor( const Cuda::size_type size ) const
+{
+  if ( verify_is_initialized("scratch_functor") &&
+       m_scratchFunctorSize < size ) {
+
+    m_scratchFunctorSize = size ;
+
+    typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::CudaSpace , void > Record ;
+
+    if( m_scratchFunctor )
+      Record::decrement( Record::get_record( m_scratchFunctor ) );
+
+    Record * const r = Record::allocate( Kokkos::CudaSpace()
+                                       , "InternalScratchFunctor"
+                                       , m_scratchFunctorSize );
+
+    Record::increment( r );
+
+    m_scratchFunctor = reinterpret_cast<size_type *>( r->data() );
+  }
+
+  return m_scratchFunctor ;
+}
+
 //----------------------------------------------------------------------------
 
 void CudaInternal::finalize()
@@ -653,13 +625,7 @@ void CudaInternal::finalize()
 
     Impl::finalize_host_cuda_lock_arrays();
 
-    if ( m_stream ) {
-      for ( size_type i = 1 ; i < m_streamCount ; ++i ) {
-        cudaStreamDestroy( m_stream[i] );
-        m_stream[i] = 0 ;
-      }
-      ::free( m_stream );
-    }
+    if(m_stream!=0) cudaStreamDestroy(m_stream);
 
     typedef Kokkos::Impl::SharedAllocationRecord< CudaSpace > RecordCuda ;
     typedef Kokkos::Impl::SharedAllocationRecord< CudaHostPinnedSpace > RecordHost ;
@@ -668,6 +634,8 @@ void CudaInternal::finalize()
     RecordCuda::decrement( RecordCuda::get_record( m_scratchSpace ) );
     RecordHost::decrement( RecordHost::get_record( m_scratchUnified ) );
     RecordCuda::decrement( RecordCuda::get_record( m_scratchConcurrentBitset ) );
+    if(m_scratchFunctorSize>0)
+    RecordCuda::decrement( RecordCuda::get_record( m_scratchFunctor ) );
 
     m_cudaDev             = -1 ;
     m_multiProcCount      = 0 ;
@@ -713,14 +681,14 @@ Cuda::size_type cuda_internal_maximum_grid_count()
 Cuda::size_type cuda_internal_maximum_shared_words()
 { return CudaInternal::singleton().m_maxSharedWords ; }
 
-Cuda::size_type * cuda_internal_scratch_space( const Cuda::size_type size )
-{ return CudaInternal::singleton().scratch_space( size ); }
+Cuda::size_type * cuda_internal_scratch_space( const Cuda& instance, const Cuda::size_type size )
+{ return instance.impl_internal_space_instance()->scratch_space( size ); }
 
-Cuda::size_type * cuda_internal_scratch_flags( const Cuda::size_type size )
-{ return CudaInternal::singleton().scratch_flags( size ); }
+Cuda::size_type * cuda_internal_scratch_flags( const Cuda& instance, const Cuda::size_type size )
+{ return instance.impl_internal_space_instance()->scratch_flags( size ); }
 
-Cuda::size_type * cuda_internal_scratch_unified( const Cuda::size_type size )
-{ return CudaInternal::singleton().scratch_unified( size ); }
+Cuda::size_type * cuda_internal_scratch_unified( const Cuda& instance, const Cuda::size_type size )
+{ return instance.impl_internal_space_instance()->scratch_unified( size ); }
 
 
 } // namespace Impl
@@ -749,7 +717,7 @@ void Cuda::initialize( const Cuda::SelectDevice config , size_t num_instances )
 void Cuda::impl_initialize( const Cuda::SelectDevice config , size_t num_instances )
 #endif
 {
-  Impl::CudaInternal::singleton().initialize( config.cuda_device_id , num_instances );
+  Impl::CudaInternal::singleton().initialize( config.cuda_device_id , 0 );
 
   #if defined(KOKKOS_ENABLE_PROFILING)
     Kokkos::Profiling::initialize();
@@ -800,19 +768,17 @@ void Cuda::impl_finalize()
 }
 
 Cuda::Cuda()
-  : m_device( Impl::CudaInternal::singleton().m_cudaDev )
-  , m_stream( 0 )
+  : m_space_instance( &Impl::CudaInternal::singleton() )
 {
   Impl::CudaInternal::singleton().verify_is_initialized( "Cuda instance constructor" );
 }
 
-Cuda::Cuda( const int instance_id )
-  : m_device( Impl::CudaInternal::singleton().m_cudaDev )
-  , m_stream(
-      Impl::CudaInternal::singleton().verify_is_initialized( "Cuda instance constructor" )
-        ? Impl::CudaInternal::singleton().m_stream[ instance_id % Impl::CudaInternal::singleton().m_streamCount ]
-        : 0 )
-{}
+Cuda::Cuda(cudaStream_t stream)
+  :   m_space_instance(new Impl::CudaInternal)
+{
+  Impl::CudaInternal::singleton().verify_is_initialized( "Cuda instance constructor" );
+  m_space_instance->initialize(Impl::CudaInternal::singleton().m_cudaDev,stream);
+}
 
 void Cuda::print_configuration( std::ostream & s , const bool )
 { Impl::CudaInternal::singleton().print_configuration( s ); }
@@ -823,13 +789,27 @@ bool Cuda::sleep() { return false ; }
 bool Cuda::wake() { return true ; }
 #endif
 
-void Cuda::fence()
+void Cuda::impl_static_fence()
 {
   Kokkos::Impl::cuda_device_synchronize();
 }
 
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+void Cuda::fence() {
+  impl_static_fence();
+}
+#else
+void Cuda::fence() const {
+  m_space_instance->fence();
+}
+#endif
+
 const char* Cuda::name() { return "Cuda"; }
 
+cudaStream_t Cuda::cuda_stream() const { return m_space_instance->m_stream ; }
+int          Cuda::cuda_device() const { return m_space_instance->m_cudaDev ; }
+
+
 } // namespace Kokkos
 
 namespace Kokkos {
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..f9e333fcf0b954e7f0ceb39ee68f8b74e60574c6
--- /dev/null
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.hpp
@@ -0,0 +1,156 @@
+#ifndef KOKKOS_CUDA_INSTANCE_HPP_
+#define KOKKOS_CUDA_INSTANCE_HPP_
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+struct CudaTraits {
+  enum { WarpSize       = 32      /* 0x0020 */ };
+  enum { WarpIndexMask  = 0x001f  /* Mask for warpindex */ };
+  enum { WarpIndexShift = 5       /* WarpSize == 1 << WarpShift */ };
+
+  enum { ConstantMemoryUsage    = 0x008000 /* 32k bytes */ };
+  enum { ConstantMemoryCache    = 0x002000 /*  8k bytes */ };
+  enum { KernelArgumentLimit    = 0x001000 /*  4k bytes */ };
+
+  typedef unsigned long
+    ConstantGlobalBufferType[ ConstantMemoryUsage / sizeof(unsigned long) ];
+
+#if defined(KOKKOS_ARCH_VOLTA) || \
+    defined(KOKKOS_ARCH_PASCAL)
+  enum { ConstantMemoryUseThreshold = 0x000200 /* 0 bytes -> always use constant (or global)*/ };
+#else
+  enum { ConstantMemoryUseThreshold = 0x000200 /* 512 bytes */ };
+#endif
+
+  KOKKOS_INLINE_FUNCTION static
+  CudaSpace::size_type warp_count( CudaSpace::size_type i )
+    { return ( i + WarpIndexMask ) >> WarpIndexShift ; }
+
+  KOKKOS_INLINE_FUNCTION static
+  CudaSpace::size_type warp_align( CudaSpace::size_type i )
+    {
+      enum { Mask = ~CudaSpace::size_type( WarpIndexMask ) };
+      return ( i + WarpIndexMask ) & Mask ;
+    }
+};
+
+//----------------------------------------------------------------------------
+
+CudaSpace::size_type cuda_internal_multiprocessor_count();
+CudaSpace::size_type cuda_internal_maximum_warp_count();
+CudaSpace::size_type cuda_internal_maximum_grid_count();
+CudaSpace::size_type cuda_internal_maximum_shared_words();
+
+CudaSpace::size_type cuda_internal_maximum_concurrent_block_count();
+
+CudaSpace::size_type * cuda_internal_scratch_flags( const Cuda&, const CudaSpace::size_type size );
+CudaSpace::size_type * cuda_internal_scratch_space( const Cuda&, const CudaSpace::size_type size );
+CudaSpace::size_type * cuda_internal_scratch_unified( const Cuda&, const CudaSpace::size_type size );
+
+} // namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+namespace Kokkos {
+namespace Impl {
+
+class CudaInternal {
+private:
+
+  CudaInternal( const CudaInternal & );
+  CudaInternal & operator = ( const CudaInternal & );
+
+
+public:
+
+  typedef Cuda::size_type size_type ;
+
+  int         m_cudaDev ;
+
+  // Device Properties
+  int         m_cudaArch ;
+  unsigned    m_multiProcCount ;
+  unsigned    m_maxWarpCount ;
+  unsigned    m_maxBlock ;
+  unsigned    m_maxSharedWords ;
+  uint32_t    m_maxConcurrency ;
+  int         m_shmemPerSM ;
+  int         m_maxShmemPerBlock ;
+  int         m_regsPerSM ;
+  int         m_maxBlocksPerSM ;
+  int         m_maxThreadsPerSM ;
+  int         m_maxThreadsPerBlock ;
+
+  mutable size_type   m_scratchSpaceCount ;
+  mutable size_type   m_scratchFlagsCount ;
+  mutable size_type   m_scratchUnifiedCount ;
+  mutable size_type   m_scratchFunctorSize ;
+  size_type   m_scratchUnifiedSupported ;
+  size_type   m_streamCount ;
+  mutable size_type * m_scratchSpace ;
+  mutable size_type * m_scratchFlags ;
+  mutable size_type * m_scratchUnified ;
+  mutable size_type * m_scratchFunctor ;
+  uint32_t  * m_scratchConcurrentBitset ;
+  cudaStream_t m_stream ;
+
+  static int was_initialized;
+  static int was_finalized;
+
+  static CudaInternal & singleton();
+
+  int verify_is_initialized( const char * const label ) const ;
+
+  int is_initialized() const
+    { return 0 != m_scratchSpace && 0 != m_scratchFlags ; }
+
+  void initialize( int cuda_device_id , cudaStream_t stream = 0 );
+  void finalize();
+
+  void print_configuration( std::ostream & ) const ;
+
+  void fence() const ;
+
+  ~CudaInternal();
+
+  CudaInternal()
+    : m_cudaDev( -1 )
+    , m_cudaArch( -1 )
+    , m_multiProcCount( 0 )
+    , m_maxWarpCount( 0 )
+    , m_maxBlock( 0 )
+    , m_maxSharedWords( 0 )
+    , m_maxConcurrency( 0 )
+    , m_shmemPerSM( 0 )
+    , m_maxShmemPerBlock( 0 )
+    , m_regsPerSM( 0 )
+    , m_maxBlocksPerSM( 0 )
+    , m_maxThreadsPerSM( 0 )
+    , m_maxThreadsPerBlock( 0 )
+    , m_scratchSpaceCount( 0 )
+    , m_scratchFlagsCount( 0 )
+    , m_scratchUnifiedCount( 0 )
+    , m_scratchFunctorSize( 0 )
+    , m_scratchUnifiedSupported( 0 )
+    , m_streamCount( 0 )
+    , m_scratchSpace( 0 )
+    , m_scratchFlags( 0 )
+    , m_scratchUnified( 0 )
+    , m_scratchFunctor( 0 )
+    , m_scratchConcurrentBitset( 0 )
+    , m_stream( 0 )
+    {}
+
+  size_type * scratch_space( const size_type size ) const ;
+  size_type * scratch_flags( const size_type size ) const ;
+  size_type * scratch_unified( const size_type size ) const ;
+  size_type * scratch_functor( const size_type size ) const ;
+};
+
+} // Namespace Impl
+} // Namespace Kokkos
+#endif
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_KernelLaunch.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_KernelLaunch.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..2ec868c1f173d451444341362bfe665aae3a0929
--- /dev/null
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_KernelLaunch.hpp
@@ -0,0 +1,579 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_CUDAEXEC_HPP
+#define KOKKOS_CUDAEXEC_HPP
+
+#include <Kokkos_Macros.hpp>
+#ifdef KOKKOS_ENABLE_CUDA
+
+#include <string>
+#include <cstdint>
+#include <Kokkos_Parallel.hpp>
+#include <impl/Kokkos_Error.hpp>
+#include <Cuda/Kokkos_Cuda_abort.hpp>
+#include <Cuda/Kokkos_Cuda_Error.hpp>
+#include <Cuda/Kokkos_Cuda_Locks.hpp>
+#include <Cuda/Kokkos_Cuda_Instance.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#if defined( __CUDACC__ )
+
+/** \brief  Access to constant memory on the device */
+#ifdef KOKKOS_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE
+
+__device__ __constant__
+extern unsigned long kokkos_impl_cuda_constant_memory_buffer[] ;
+
+#else
+
+__device__ __constant__
+unsigned long kokkos_impl_cuda_constant_memory_buffer[ Kokkos::Impl::CudaTraits::ConstantMemoryUsage / sizeof(unsigned long) ] ;
+
+#endif
+
+namespace Kokkos {
+namespace Impl {
+  void* cuda_resize_scratch_space(std::int64_t bytes, bool force_shrink = false);
+}
+}
+
+template< typename T >
+inline
+__device__
+T * kokkos_impl_cuda_shared_memory()
+{ extern __shared__ Kokkos::CudaSpace::size_type sh[]; return (T*) sh ; }
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+// See section B.17 of Cuda C Programming Guide Version 3.2
+// for discussion of
+//   __launch_bounds__(maxThreadsPerBlock,minBlocksPerMultiprocessor)
+// function qualifier which could be used to improve performance.
+//----------------------------------------------------------------------------
+// Maximize L1 cache and minimize shared memory:
+//   cudaFuncSetCacheConfig(MyKernel, cudaFuncCachePreferL1 );
+// For 2.0 capability: 48 KB L1 and 16 KB shared
+//----------------------------------------------------------------------------
+
+template< class DriverType>
+__global__
+static void cuda_parallel_launch_constant_memory()
+{
+  const DriverType & driver =
+    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
+
+  driver();
+}
+
+template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
+__global__
+__launch_bounds__(maxTperB, minBperSM)
+static void cuda_parallel_launch_constant_memory()
+{
+  const DriverType & driver =
+    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
+
+  driver();
+}
+
+template< class DriverType>
+__global__
+static void cuda_parallel_launch_local_memory( const DriverType driver )
+{
+  driver();
+}
+
+template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
+__global__
+__launch_bounds__(maxTperB, minBperSM)
+static void cuda_parallel_launch_local_memory( const DriverType driver )
+{
+  driver();
+}
+
+template< class DriverType>
+__global__
+static void cuda_parallel_launch_global_memory( const DriverType* driver )
+{
+  driver->operator()();
+}
+
+template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
+__global__
+__launch_bounds__(maxTperB, minBperSM)
+static void cuda_parallel_launch_global_memory( const DriverType* driver )
+{
+  driver->operator()();
+}
+
+template< class DriverType>
+__global__
+static void cuda_parallel_launch_constant_or_global_memory( const DriverType* driver_ptr )
+{
+  const DriverType & driver = driver_ptr!=NULL ? *driver_ptr :
+    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
+
+  driver();
+}
+
+template< class DriverType, unsigned int maxTperB, unsigned int minBperSM >
+__global__
+__launch_bounds__(maxTperB, minBperSM)
+static void cuda_parallel_launch_constant_or_global_memory( const DriverType* driver_ptr )
+{
+  const DriverType & driver = driver_ptr!=NULL ? *driver_ptr :
+    *((const DriverType *) kokkos_impl_cuda_constant_memory_buffer );
+
+  driver();
+}
+
+template< class DriverType >
+struct DeduceCudaLaunchMechanism {
+  constexpr static const Kokkos::Experimental::WorkItemProperty::HintLightWeight_t light_weight = Kokkos::Experimental::WorkItemProperty::HintLightWeight;
+  constexpr static const Kokkos::Experimental::WorkItemProperty::HintHeavyWeight_t heavy_weight = Kokkos::Experimental::WorkItemProperty::HintHeavyWeight ;
+  constexpr static const typename DriverType::Policy::work_item_property property = typename DriverType::Policy::work_item_property();
+
+  static constexpr const Experimental::CudaLaunchMechanism valid_launch_mechanism =
+      // BuildValidMask
+      (sizeof(DriverType)<CudaTraits::KernelArgumentLimit?
+          Experimental::CudaLaunchMechanism::LocalMemory:Experimental::CudaLaunchMechanism::Default)|
+      (sizeof(DriverType)<CudaTraits::ConstantMemoryUsage?
+          Experimental::CudaLaunchMechanism::ConstantMemory:Experimental::CudaLaunchMechanism::Default)|
+      Experimental::CudaLaunchMechanism::GlobalMemory;
+
+  static constexpr const Experimental::CudaLaunchMechanism requested_launch_mechanism =
+      (((property&light_weight)==light_weight)?
+           Experimental::CudaLaunchMechanism::LocalMemory :
+           Experimental::CudaLaunchMechanism::ConstantMemory)
+    | Experimental::CudaLaunchMechanism::GlobalMemory;
+
+  static constexpr const Experimental::CudaLaunchMechanism default_launch_mechanism =
+      // BuildValidMask
+      (sizeof(DriverType)<CudaTraits::ConstantMemoryUseThreshold)?
+          Experimental::CudaLaunchMechanism::LocalMemory:(
+      (sizeof(DriverType)<CudaTraits::ConstantMemoryUsage)?
+          Experimental::CudaLaunchMechanism::ConstantMemory:
+          Experimental::CudaLaunchMechanism::GlobalMemory);
+
+  //              None                LightWeight    HeavyWeight
+  // F<UseT       LCG LCG L  L        LCG  LG L  L    LCG  CG L  C
+  // UseT<F<KAL   LCG LCG C  C        LCG  LG C  L    LCG  CG C  C
+  // Kal<F<CMU     CG LCG C  C         CG  LG C  G     CG  CG C  C
+  // CMU<F          G LCG G  G          G  LG G  G      G  CG G  G
+  static constexpr const Experimental::CudaLaunchMechanism launch_mechanism =
+      ((property&light_weight)==light_weight)?
+          (sizeof(DriverType)<CudaTraits::KernelArgumentLimit?
+              Experimental::CudaLaunchMechanism::LocalMemory:
+              Experimental::CudaLaunchMechanism::GlobalMemory):(
+        ((property&heavy_weight)==heavy_weight)?
+          (sizeof(DriverType)<CudaTraits::ConstantMemoryUsage?
+              Experimental::CudaLaunchMechanism::ConstantMemory:
+              Experimental::CudaLaunchMechanism::GlobalMemory):
+          (default_launch_mechanism)
+      );
+};
+// Use local memory up to ConstantMemoryUseThreshold
+// Use global memory above ConstantMemoryUsage
+// In between use ConstantMemory
+template < class DriverType
+         , class LaunchBounds = Kokkos::LaunchBounds<>
+         , Experimental::CudaLaunchMechanism LaunchMechanism =
+             DeduceCudaLaunchMechanism<DriverType>::launch_mechanism >
+struct CudaParallelLaunch ;
+
+template < class DriverType
+         , unsigned int MaxThreadsPerBlock
+         , unsigned int MinBlocksPerSM>
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds< MaxThreadsPerBlock 
+                                               , MinBlocksPerSM >
+                          , Experimental::CudaLaunchMechanism::ConstantMemory>
+{
+  static_assert(sizeof(DriverType)<CudaTraits::ConstantMemoryUsage,"Kokkos Error: Requested CudaLaunchConstantMemory with a Functor larger than 32kB.");
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , const CudaInternal* cuda_instance
+                    , const bool prefer_shmem )
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      // Fence before changing settings and copying closure
+      Kokkos::Cuda().fence();
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_constant_memory
+                < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      // Copy functor to constant memory on the device
+      cudaMemcpyToSymbolAsync(
+        kokkos_impl_cuda_constant_memory_buffer, &driver, sizeof(DriverType), 0, cudaMemcpyHostToDevice, cudaStream_t(cuda_instance->m_stream));
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      // Invoke the driver function on the device
+      cuda_parallel_launch_constant_memory
+        < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>();
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_constant_memory
+            < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >);
+    return attr;
+  }
+};
+
+template < class DriverType>
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds<0,0>
+                         , Experimental::CudaLaunchMechanism::ConstantMemory >
+{
+  static_assert(sizeof(DriverType)<CudaTraits::ConstantMemoryUsage,"Kokkos Error: Requested CudaLaunchConstantMemory with a Functor larger than 32kB.");
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , const CudaInternal* cuda_instance
+                    , const bool prefer_shmem )
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      // Fence before changing settings and copying closure
+      Kokkos::Cuda().fence();
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_constant_memory< DriverType >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      // Copy functor to constant memory on the device
+      cudaMemcpyToSymbolAsync(
+        kokkos_impl_cuda_constant_memory_buffer, &driver, sizeof(DriverType), 0, cudaMemcpyHostToDevice, cudaStream_t(cuda_instance->m_stream));
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      // Invoke the driver function on the device
+      cuda_parallel_launch_constant_memory< DriverType >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>();
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_constant_memory
+            < DriverType >);
+    return attr;
+  }
+};
+
+template < class DriverType
+         , unsigned int MaxThreadsPerBlock
+         , unsigned int MinBlocksPerSM >
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds< MaxThreadsPerBlock 
+                                               , MinBlocksPerSM >
+                         , Experimental::CudaLaunchMechanism::LocalMemory >
+{
+  static_assert(sizeof(DriverType)<CudaTraits::KernelArgumentLimit,"Kokkos Error: Requested CudaLaunchLocalMemory with a Functor larger than 4096 bytes.");
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , const CudaInternal* cuda_instance
+                    , const bool prefer_shmem )
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_local_memory
+                < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      // Invoke the driver function on the device
+      cuda_parallel_launch_local_memory
+        < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>( driver );
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_local_memory
+            < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >);
+    return attr;
+  }
+};
+
+template < class DriverType>
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds<0,0>
+                         , Experimental::CudaLaunchMechanism::LocalMemory >
+{
+  static_assert(sizeof(DriverType)<CudaTraits::KernelArgumentLimit,"Kokkos Error: Requested CudaLaunchLocalMemory with a Functor larger than 4096 bytes.");
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , const CudaInternal* cuda_instance
+                    , const bool prefer_shmem)
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_local_memory< DriverType >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      // Invoke the driver function on the device
+      cuda_parallel_launch_local_memory< DriverType >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>( driver );
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_local_memory
+            < DriverType >);
+    return attr;
+  }
+};
+
+template < class DriverType
+         , unsigned int MaxThreadsPerBlock
+         , unsigned int MinBlocksPerSM>
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds< MaxThreadsPerBlock
+                                               , MinBlocksPerSM>
+                         , Experimental::CudaLaunchMechanism::GlobalMemory >
+{
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , CudaInternal* cuda_instance
+                    , const bool prefer_shmem )
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_global_memory
+                < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      DriverType* driver_ptr = NULL;
+      driver_ptr = reinterpret_cast<DriverType*>(cuda_instance->scratch_functor(sizeof(DriverType)));
+      cudaMemcpyAsync(driver_ptr,&driver, sizeof(DriverType), cudaMemcpyDefault, cuda_instance->m_stream);
+
+      // Invoke the driver function on the device
+      cuda_parallel_launch_global_memory
+        < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>( driver_ptr );
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_global_memory
+            < DriverType, MaxThreadsPerBlock, MinBlocksPerSM >);
+    return attr;
+  }
+
+};
+
+template < class DriverType>
+struct CudaParallelLaunch< DriverType
+                         , Kokkos::LaunchBounds<0,0>
+                         , Experimental::CudaLaunchMechanism::GlobalMemory >
+{
+  inline
+  CudaParallelLaunch( const DriverType & driver
+                    , const dim3       & grid
+                    , const dim3       & block
+                    , const int          shmem
+                    , CudaInternal* cuda_instance
+                    , const bool prefer_shmem)
+  {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
+
+      if ( cuda_instance->m_maxShmemPerBlock < shmem ) {
+        Kokkos::Impl::throw_runtime_exception( std::string("CudaParallelLaunch FAILED: shared memory request is too large") );
+      }
+      #ifndef KOKKOS_ARCH_KEPLER
+      // On Kepler the L1 has no benefit since it doesn't cache reads
+      else {
+        CUDA_SAFE_CALL(
+          cudaFuncSetCacheConfig
+            ( cuda_parallel_launch_global_memory< DriverType >
+            , ( prefer_shmem ? cudaFuncCachePreferShared : cudaFuncCachePreferL1 )
+            ) );
+      }
+      #endif
+
+      KOKKOS_ENSURE_CUDA_LOCK_ARRAYS_ON_DEVICE();
+
+      DriverType* driver_ptr = NULL;
+      driver_ptr = reinterpret_cast<DriverType*>(cuda_instance->scratch_functor(sizeof(DriverType)));
+      cudaMemcpyAsync(driver_ptr,&driver, sizeof(DriverType), cudaMemcpyDefault, cuda_instance->m_stream);
+
+      cuda_parallel_launch_global_memory< DriverType >
+          <<< grid , block , shmem , cuda_instance->m_stream >>>( driver_ptr );
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+      CUDA_SAFE_CALL( cudaGetLastError() );
+      Kokkos::Cuda().fence();
+#endif
+    }
+  }
+
+  static cudaFuncAttributes get_cuda_func_attributes() {
+    cudaFuncAttributes attr;
+    cudaFuncGetAttributes(&attr,cuda_parallel_launch_global_memory
+            < DriverType >);
+    return attr;
+  }
+};
+//----------------------------------------------------------------------------
+
+} // namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* defined( __CUDACC__ ) */
+#endif /* defined( KOKKOS_ENABLE_CUDA ) */
+#endif /* #ifndef KOKKOS_CUDAEXEC_HPP */
+
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
index 665d0732a74863b3d245ee4fee8a740f9a0e4812..c05fbcc6c1b40dd6d0f30fcdaeca6fa1293ecc58 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
@@ -55,9 +55,9 @@
 #include <utility>
 #include <Kokkos_Parallel.hpp>
 
-#include <Cuda/Kokkos_CudaExec.hpp>
+#include <Cuda/Kokkos_Cuda_KernelLaunch.hpp>
 #include <Cuda/Kokkos_Cuda_ReduceScan.hpp>
-#include <Cuda/Kokkos_Cuda_Internal.hpp>
+#include <Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp>
 #include <Cuda/Kokkos_Cuda_Locks.hpp>
 #include <Kokkos_Vectorization.hpp>
 #include <Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp>
@@ -73,6 +73,9 @@
 //----------------------------------------------------------------------------
 
 namespace Kokkos {
+
+extern bool show_warnings() noexcept;
+
 namespace Impl {
 
 template< class ... Properties >
@@ -85,10 +88,14 @@ public:
 
   typedef PolicyTraits<Properties ... > traits;
 
+  template< class ExecSpace, class ... OtherProperties >
+  friend class TeamPolicyInternal;
+
 private:
 
   enum { MAX_WARP = 8 };
 
+  typename traits::execution_space m_space;
   int m_league_size ;
   int m_team_size ;
   int m_vector_length ;
@@ -101,6 +108,19 @@ public:
   //! Execution space of this execution policy
   typedef Kokkos::Cuda  execution_space ;
 
+  template<class ... OtherProperties>
+  TeamPolicyInternal( const TeamPolicyInternal<OtherProperties...>& p ) {
+    m_league_size = p.m_league_size;
+    m_team_size = p.m_team_size;
+    m_vector_length = p.m_vector_length;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+    m_space = p.m_space;
+  }
+
   TeamPolicyInternal& operator = (const TeamPolicyInternal& p) {
     m_league_size = p.m_league_size;
     m_team_size = p.m_team_size;
@@ -110,6 +130,7 @@ public:
     m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
     m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
     m_chunk_size = p.m_chunk_size;
+    m_space = p.m_space;
     return *this;
   }
 
@@ -117,7 +138,7 @@ public:
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
-  inline static
+  static inline
   int team_size_max( const FunctorType & functor )
     {
       int n = MAX_WARP * Impl::CudaTraits::WarpSize ;
@@ -128,7 +149,7 @@ public:
           /* for team   reduce */ + ( n + 2 ) * sizeof(double)
           /* for team   shared */ + Impl::FunctorTeamShmemSize< FunctorType >::value( functor , n );
 
-        if ( shmem_size < Impl::CudaTraits::SharedMemoryCapacity ) break ;
+        if ( shmem_size < typename traits::execution_space().impl_internal_space_instance()->m_maxShmemPerBlock ) break ;
       }
 
       return n ;
@@ -138,7 +159,10 @@ public:
   template<class FunctorType>
   int team_size_max( const FunctorType& f, const ParallelForTag& ) const {
     typedef Impl::ParallelFor< FunctorType , TeamPolicy<Properties...> > closure_type;
-    int block_size = Kokkos::Impl::cuda_get_max_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+    cudaFuncAttributes attr = CudaParallelLaunch< closure_type, typename traits::launch_bounds >::
+        get_cuda_func_attributes();
+    int block_size = Kokkos::Impl::cuda_get_max_block_size< FunctorType, typename traits::launch_bounds >( 
+        space().impl_internal_space_instance(),attr,f ,(size_t) vector_length(),
         (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) );
     return block_size/vector_length();
   }
@@ -150,7 +174,10 @@ public:
     typedef Impl::ParallelReduce< FunctorType , TeamPolicy<Properties...>, reducer_type > closure_type;
     typedef Impl::FunctorValueTraits< FunctorType , typename traits::work_tag > functor_value_traits;
 
-    int block_size = Kokkos::Impl::cuda_get_max_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+    cudaFuncAttributes attr = CudaParallelLaunch< closure_type, typename traits::launch_bounds >::
+        get_cuda_func_attributes();
+    int block_size = Kokkos::Impl::cuda_get_max_block_size< FunctorType, typename traits::launch_bounds >( 
+        space().impl_internal_space_instance(),attr,f ,(size_t) vector_length(),
         (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) +
                                                           ((functor_value_traits::StaticValueSize!=0)?0:functor_value_traits::value_size( f )));
 
@@ -178,7 +205,11 @@ public:
   template<class FunctorType>
   int team_size_recommended( const FunctorType& f, const ParallelForTag& ) const {
     typedef Impl::ParallelFor< FunctorType , TeamPolicy<Properties...> > closure_type;
-    int block_size = Kokkos::Impl::cuda_get_opt_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+    cudaFuncAttributes attr = CudaParallelLaunch< closure_type, typename traits::launch_bounds >::
+        get_cuda_func_attributes();
+    const int block_size = Kokkos::Impl::cuda_get_opt_block_size< FunctorType, typename traits::launch_bounds>(
+        space().impl_internal_space_instance(),
+        attr, f , (size_t) vector_length(),
         (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double));
     return block_size/vector_length();
   }
@@ -190,10 +221,18 @@ public:
     typedef Impl::ParallelReduce< FunctorType , TeamPolicy<Properties...>, reducer_type > closure_type;
     typedef Impl::FunctorValueTraits< FunctorType , typename traits::work_tag > functor_value_traits;
 
-    int block_size = Kokkos::Impl::cuda_get_opt_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+    cudaFuncAttributes attr = CudaParallelLaunch< closure_type, typename traits::launch_bounds >::
+        get_cuda_func_attributes();
+    const int block_size = Kokkos::Impl::cuda_get_opt_block_size< FunctorType, typename traits::launch_bounds>(
+        space().impl_internal_space_instance(),
+        attr, f , (size_t) vector_length(),
         (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) +
                                                           ((functor_value_traits::StaticValueSize!=0)?0:functor_value_traits::value_size( f )));
-    return block_size/vector_length();
+    // Currently we require Power-of-2 team size for reductions.
+    int p2 = 1;
+    while(p2<=block_size) p2*=2;
+    p2/=2;
+    return p2/vector_length();
   }
 
 
@@ -201,6 +240,25 @@ public:
   int vector_length_max()
     { return Impl::CudaTraits::WarpSize; }
 
+  inline static
+  int verify_requested_vector_length( int requested_vector_length ) {
+      int test_vector_length = std::min( requested_vector_length, vector_length_max() );
+
+      // Allow only power-of-two vector_length
+      if ( !(is_integral_power_of_two( test_vector_length ) ) ) {
+         int test_pow2 = 1;
+         for (int i = 0; i < 5; i++) {
+            test_pow2 = test_pow2 << 1;
+            if (test_pow2 > test_vector_length) {
+               break;
+            }
+         }
+         test_vector_length = test_pow2 >> 1;
+      }
+
+      return test_vector_length;
+  }
+
   inline static
   int scratch_size_max(int level)
     { return (level==0?
@@ -224,9 +282,14 @@ public:
     return m_thread_scratch_size[level];
   }
 
+  inline typename traits::execution_space space() const {
+    return m_space;
+  }
+
   TeamPolicyInternal()
-    : m_league_size( 0 )
-    , m_team_size( 0 )
+    : m_space(typename traits::execution_space())
+    , m_league_size( 0 )
+    , m_team_size( -1 )
     , m_vector_length( 0 )
     , m_team_scratch_size {0,0}
     , m_thread_scratch_size {0,0}
@@ -234,22 +297,18 @@ public:
    {}
 
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( execution_space &
+  TeamPolicyInternal( const execution_space space_
             , int league_size_
             , int team_size_request
             , int vector_length_request = 1 )
-    : m_league_size( league_size_ )
+    : m_space( space_ )
+    , m_league_size( league_size_ )
     , m_team_size( team_size_request )
-    , m_vector_length( vector_length_request )
+    , m_vector_length( verify_requested_vector_length(vector_length_request) )
     , m_team_scratch_size {0,0}
     , m_thread_scratch_size {0,0}
     , m_chunk_size ( 32 )
     {
-      // Allow only power-of-two vector_length
-      if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
-        Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
-      }
-
       // Make sure league size is permissable
       if(league_size_ >= int(Impl::cuda_internal_maximum_grid_count()))
         Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
@@ -261,22 +320,18 @@ public:
     }
 
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( execution_space &
+  TeamPolicyInternal( const execution_space space_
             , int league_size_
             , const Kokkos::AUTO_t & /* team_size_request */
             , int vector_length_request = 1 )
-    : m_league_size( league_size_ )
+    : m_space( space_ )
+    , m_league_size( league_size_ )
     , m_team_size( -1 )
-    , m_vector_length( vector_length_request )
+    , m_vector_length( verify_requested_vector_length(vector_length_request) )
     , m_team_scratch_size {0,0}
     , m_thread_scratch_size {0,0}
     , m_chunk_size ( 32 )
     {
-      // Allow only power-of-two vector_length
-      if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
-        Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
-      }
-
       // Make sure league size is permissable
       if(league_size_ >= int(Impl::cuda_internal_maximum_grid_count()))
         Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
@@ -285,18 +340,14 @@ public:
   TeamPolicyInternal( int league_size_
             , int team_size_request
             , int vector_length_request = 1 )
-    : m_league_size( league_size_ )
+    : m_space( typename traits::execution_space() )
+    , m_league_size( league_size_ )
     , m_team_size( team_size_request )
-    , m_vector_length ( vector_length_request )
+    , m_vector_length ( verify_requested_vector_length(vector_length_request) )
     , m_team_scratch_size {0,0}
     , m_thread_scratch_size {0,0}
     , m_chunk_size ( 32 )
     {
-      // Allow only power-of-two vector_length
-      if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
-        Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
-      }
-
       // Make sure league size is permissable
       if(league_size_ >= int(Impl::cuda_internal_maximum_grid_count()))
         Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
@@ -310,18 +361,14 @@ public:
   TeamPolicyInternal( int league_size_
             , const Kokkos::AUTO_t & /* team_size_request */
             , int vector_length_request = 1 )
-    : m_league_size( league_size_ )
+    : m_space( typename traits::execution_space() )
+    , m_league_size( league_size_ )
     , m_team_size( -1 )
-    , m_vector_length ( vector_length_request )
+    , m_vector_length ( verify_requested_vector_length(vector_length_request) )
     , m_team_scratch_size {0,0}
     , m_thread_scratch_size {0,0}
     , m_chunk_size ( 32 )
     {
-      // Allow only power-of-two vector_length
-      if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
-        Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
-      }
-
       // Make sure league size is permissable
       if(league_size_ >= int(Impl::cuda_internal_maximum_grid_count()))
         Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
@@ -431,9 +478,10 @@ class ParallelFor< FunctorType
                  , Kokkos::Cuda
                  >
 {
+public:
+  typedef Kokkos::RangePolicy< Traits ... > Policy;
 private:
 
-  typedef Kokkos::RangePolicy< Traits ... > Policy;
   typedef typename Policy::member_type  Member ;
   typedef typename Policy::work_tag     WorkTag ;
   typedef typename Policy::launch_bounds LaunchBounds ;
@@ -479,11 +527,17 @@ public:
   void execute() const
     {
       const typename Policy::index_type nwork = m_policy.end() - m_policy.begin();
-      const int block_size = Kokkos::Impl::cuda_get_opt_block_size< ParallelFor, LaunchBounds>( m_functor , 1, 0 , 0 );
+
+      cudaFuncAttributes attr = CudaParallelLaunch< ParallelFor, LaunchBounds >::
+          get_cuda_func_attributes();
+      const int block_size = Kokkos::Impl::cuda_get_opt_block_size< FunctorType, LaunchBounds>(
+          m_policy.space().impl_internal_space_instance(),
+          attr, m_functor , 1, 0 , 0 );
       const dim3 block(  1 , block_size , 1);
-      const dim3 grid( std::min( typename Policy::index_type(( nwork + block.y - 1 ) / block.y) , typename Policy::index_type(cuda_internal_maximum_grid_count()) ) , 1 , 1);
+      const dim3 grid( std::min( typename Policy::index_type(( nwork + block.y - 1 ) / block.y) ,
+                       typename Policy::index_type(cuda_internal_maximum_grid_count()) ) , 1 , 1);
 
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_policy.space().impl_internal_space_instance() , false );
     }
 
   ParallelFor( const FunctorType  & arg_functor ,
@@ -491,6 +545,7 @@ public:
     : m_functor( arg_functor )
     , m_policy(  arg_policy )
     { }
+
 };
 
 
@@ -501,8 +556,9 @@ class ParallelFor< FunctorType
                  , Kokkos::Cuda
                  >
 {
-private:
+public:
   typedef Kokkos::MDRangePolicy< Traits ...  > Policy ;
+private:
   using RP = Policy;
   typedef typename Policy::array_index_type array_index_type;
   typedef typename Policy::index_type index_type;
@@ -526,7 +582,7 @@ public:
   void execute() const
   {
     if(m_rp.m_num_tiles==0) return;
-    const array_index_type maxblocks = static_cast<array_index_type>(Kokkos::Impl::CudaTraits::UpperBoundGridCount);
+    const array_index_type maxblocks = static_cast<array_index_type>(m_rp.space().impl_internal_space_instance()->m_maxBlock);
     if ( RP::rank == 2 )
     {
       const dim3 block( m_rp.m_tile[0] , m_rp.m_tile[1] , 1);
@@ -535,7 +591,7 @@ public:
           , std::min( ( m_rp.m_upper[1] - m_rp.m_lower[1] + block.y - 1 ) / block.y , maxblocks )
           , 1
           );
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_rp.space().impl_internal_space_instance() , false );
     }
     else if ( RP::rank == 3 )
     {
@@ -545,7 +601,7 @@ public:
         , std::min( ( m_rp.m_upper[1] - m_rp.m_lower[1] + block.y - 1 ) / block.y , maxblocks )
         , std::min( ( m_rp.m_upper[2] - m_rp.m_lower[2] + block.z - 1 ) / block.z , maxblocks )
         );
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_rp.space().impl_internal_space_instance() , false );
     }
     else if ( RP::rank == 4 )
     {
@@ -557,7 +613,7 @@ public:
         , std::min( ( m_rp.m_upper[2] - m_rp.m_lower[2] + block.y - 1 ) / block.y , maxblocks )
         , std::min( ( m_rp.m_upper[3] - m_rp.m_lower[3] + block.z - 1 ) / block.z , maxblocks )
         );
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_rp.space().impl_internal_space_instance() , false );
     }
     else if ( RP::rank == 5 )
     {
@@ -570,7 +626,7 @@ public:
                   , static_cast<index_type>(maxblocks) )
         , std::min( ( m_rp.m_upper[4] - m_rp.m_lower[4] + block.z - 1 ) / block.z , maxblocks )
         );
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_rp.space().impl_internal_space_instance() , false );
     }
     else if ( RP::rank == 6 )
     {
@@ -584,7 +640,7 @@ public:
         , std::min( static_cast<index_type>( m_rp.m_tile_end[4] * m_rp.m_tile_end[5] )
                   , static_cast<index_type>(maxblocks) )
         );
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 );
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this , grid , block , 0 , m_rp.space().impl_internal_space_instance() , false );
     }
     else
     {
@@ -609,9 +665,10 @@ class ParallelFor< FunctorType
                  , Kokkos::Cuda
                  >
 {
+public:
+  typedef TeamPolicyInternal< Kokkos::Cuda , Properties ... >   Policy ;
 private:
 
-  typedef TeamPolicyInternal< Kokkos::Cuda , Properties ... >   Policy ;
   typedef typename Policy::member_type  Member ;
   typedef typename Policy::work_tag     WorkTag ;
   typedef typename Policy::launch_bounds  LaunchBounds ;
@@ -631,13 +688,14 @@ private:
   //
 
   const FunctorType  m_functor ;
+  const Policy       m_policy ;
   const size_type    m_league_size ;
-  const size_type    m_team_size ;
+  int    m_team_size ;
   const size_type    m_vector_size ;
-  const int m_shmem_begin ;
-  const int m_shmem_size ;
+  int m_shmem_begin ;
+  int m_shmem_size ;
   void*              m_scratch_ptr[2] ;
-  const int m_scratch_size[2] ;
+  int m_scratch_size[2] ;
 
   template< class TagType >
   __device__ inline
@@ -705,7 +763,7 @@ public:
       const dim3 grid( int(m_league_size) , 1 , 1 );
       const dim3 block( int(m_vector_size) , int(m_team_size) , 1 );
 
-      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this, grid, block, shmem_size_total ); // copy to device and execute
+      CudaParallelLaunch< ParallelFor, LaunchBounds >( *this, grid, block, shmem_size_total, m_policy.space().impl_internal_space_instance() , true ); // copy to device and execute
 
     }
 
@@ -713,26 +771,37 @@ public:
              , const Policy       & arg_policy
              )
     : m_functor( arg_functor )
+    , m_policy( arg_policy )
     , m_league_size( arg_policy.league_size() )
-    , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelFor, LaunchBounds >( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length() )
+    , m_team_size( arg_policy.team_size() )
     , m_vector_size( arg_policy.vector_length() )
-    , m_shmem_begin( sizeof(double) * ( m_team_size + 2 ) )
-    , m_shmem_size( arg_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( m_functor , m_team_size ) )
-    , m_scratch_ptr{NULL,NULL}
-    , m_scratch_size{arg_policy.scratch_size(0,m_team_size),arg_policy.scratch_size(1,m_team_size)}
     {
+      cudaFuncAttributes attr = CudaParallelLaunch< ParallelFor, LaunchBounds >::
+          get_cuda_func_attributes();
+      m_team_size = m_team_size>=0?m_team_size:Kokkos::Impl::cuda_get_opt_block_size< FunctorType, LaunchBounds>(
+        m_policy.space().impl_internal_space_instance(),
+        attr, m_functor , m_vector_size,
+        m_policy.team_scratch_size(0), m_policy.thread_scratch_size(0) )/m_vector_size;
+
+      m_shmem_begin = ( sizeof(double) * ( m_team_size + 2 ) );
+      m_shmem_size = ( m_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( m_functor , m_team_size ) );
+      m_scratch_size[0] = m_policy.scratch_size(0,m_team_size);
+      m_scratch_size[1] = m_policy.scratch_size(1,m_team_size);
+
       // Functor's reduce memory, team scan memory, and team shared memory depend upon team size.
-      m_scratch_ptr[1] = cuda_resize_scratch_space(m_scratch_size[1]*(Cuda::concurrency()/(m_team_size*m_vector_size)));
+      m_scratch_ptr[0] = NULL;
+      m_scratch_ptr[1] = m_team_size<=0?NULL:cuda_resize_scratch_space(static_cast<ptrdiff_t>(m_scratch_size[1])*static_cast<ptrdiff_t>(Cuda::concurrency()/(m_team_size*m_vector_size)));
 
       const int shmem_size_total = m_shmem_begin + m_shmem_size ;
-      if ( CudaTraits::SharedMemoryCapacity < shmem_size_total ) {
+      if ( m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock < shmem_size_total ) {
+        printf("%i %i\n",m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock,shmem_size_total);
         Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelFor< Cuda > insufficient shared memory"));
       }
 
       if ( int(m_team_size) >
-           int(Kokkos::Impl::cuda_get_max_block_size< ParallelFor, LaunchBounds >
-                 ( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length())) {
+           int(Kokkos::Impl::cuda_get_max_block_size< FunctorType, LaunchBounds >
+                 ( m_policy.space().impl_internal_space_instance(),
+        attr, arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length())) {
         Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelFor< Cuda > requested too large team size."));
       }
     }
@@ -754,9 +823,10 @@ class ParallelReduce< FunctorType
                     , Kokkos::Cuda
                     >
 {
+public:
+  typedef Kokkos::RangePolicy< Traits ... >         Policy ;
 private:
 
-  typedef Kokkos::RangePolicy< Traits ... >         Policy ;
 
   typedef typename Policy::WorkRange    WorkRange ;
   typedef typename Policy::work_tag     WorkTag ;
@@ -897,11 +967,16 @@ public:
    }*/
 
   // Determine block size constrained by shared memory:
-  static inline
+  inline
   unsigned local_block_size( const FunctorType & f )
     {
       unsigned n = CudaTraits::WarpSize * 8 ;
-      while ( n && CudaTraits::SharedMemoryCapacity < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
+      int shmem_size = cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n );
+      while ( (n && (m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock < shmem_size)) ||
+          (n > static_cast<unsigned>(Kokkos::Impl::cuda_get_max_block_size< ParallelReduce, LaunchBounds>( f , 1, shmem_size , 0 )))) {
+        n >>= 1 ;
+        shmem_size = cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n );
+      }
       return n ;
     }
 
@@ -912,9 +987,9 @@ public:
       if ( nwork ) {
         const int block_size = local_block_size( m_functor );
 
-        m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_size /* block_size == max block_count */ );
-        m_scratch_flags = cuda_internal_scratch_flags( sizeof(size_type) );
-        m_unified_space = cuda_internal_scratch_unified( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
+        m_scratch_space = cuda_internal_scratch_space( m_policy.space(), ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_size /* block_size == max block_count */ );
+        m_scratch_flags = cuda_internal_scratch_flags( m_policy.space(), sizeof(size_type) );
+        m_unified_space = cuda_internal_scratch_unified( m_policy.space(), ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
 
         // REQUIRED ( 1 , N , 1 )
         const dim3 block( 1 , block_size , 1 );
@@ -923,10 +998,10 @@ public:
 
       const int shmem = UseShflReduction?0:cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( m_functor , block.y );
 
-      CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+      CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
 
       if(!m_result_ptr_device_accessible) {
-        Cuda::fence();
+        Cuda().fence();
 
         if ( m_result_ptr ) {
           if ( m_unified_space ) {
@@ -987,9 +1062,10 @@ class ParallelReduce< FunctorType
                     , Kokkos::Cuda
                     >
 {
+public:
+  typedef Kokkos::MDRangePolicy< Traits ... > Policy ;
 private:
 
-  typedef Kokkos::MDRangePolicy< Traits ... > Policy ;
   typedef typename Policy::array_index_type                 array_index_type;
   typedef typename Policy::index_type                       index_type;
 
@@ -1121,11 +1197,16 @@ public:
    }
 */
   // Determine block size constrained by shared memory:
-  static inline
+  inline
   unsigned local_block_size( const FunctorType & f )
     {
       unsigned n = CudaTraits::WarpSize * 8 ;
-      while ( n && CudaTraits::SharedMemoryCapacity < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
+      int shmem_size = cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n );
+      while ( (n && (m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock < shmem_size)) ||
+          (n > static_cast<unsigned>(Kokkos::Impl::cuda_get_max_block_size< ParallelReduce, LaunchBounds>( f , 1, shmem_size , 0 )))) {
+        n >>= 1 ;
+        shmem_size = cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n );
+      }
       return n ;
     }
 
@@ -1144,9 +1225,9 @@ public:
         block_size = (block_size > suggested_blocksize) ? block_size : suggested_blocksize ; //Note: block_size must be less than or equal to 512
 
 
-        m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_size /* block_size == max block_count */ );
-        m_scratch_flags = cuda_internal_scratch_flags( sizeof(size_type) );
-        m_unified_space = cuda_internal_scratch_unified( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
+        m_scratch_space = cuda_internal_scratch_space( m_policy.space(), ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_size /* block_size == max block_count */ );
+        m_scratch_flags = cuda_internal_scratch_flags( m_policy.space(), sizeof(size_type) );
+        m_unified_space = cuda_internal_scratch_unified( m_policy.space(), ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
 
         // REQUIRED ( 1 , N , 1 )
         const dim3 block( 1 , block_size , 1 );
@@ -1155,10 +1236,10 @@ public:
 
       const int shmem = UseShflReduction?0:cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( m_functor , block.y );
 
-      CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+      CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
 
       if(!m_result_ptr_device_accessible) {
-        Cuda::fence();
+        Cuda().fence();
 
         if ( m_result_ptr ) {
           if ( m_unified_space ) {
@@ -1213,8 +1294,6 @@ public:
 
 //----------------------------------------------------------------------------
 
-#if 1
-
 template< class FunctorType , class ReducerType, class ... Properties >
 class ParallelReduce< FunctorType
                     , Kokkos::TeamPolicy< Properties ... >
@@ -1222,9 +1301,10 @@ class ParallelReduce< FunctorType
                     , Kokkos::Cuda
                     >
 {
+public:
+  typedef TeamPolicyInternal< Kokkos::Cuda, Properties ... >  Policy ;
 private:
 
-  typedef TeamPolicyInternal< Kokkos::Cuda, Properties ... >  Policy ;
   typedef typename Policy::member_type  Member ;
   typedef typename Policy::work_tag     WorkTag ;
   typedef typename Policy::launch_bounds     LaunchBounds ;
@@ -1261,6 +1341,7 @@ private:
   //
 
   const FunctorType   m_functor ;
+  const Policy        m_policy ;
   const ReducerType   m_reducer ;
   const pointer_type  m_result_ptr ;
   const bool          m_result_ptr_device_accessible ;
@@ -1273,7 +1354,7 @@ private:
   void*               m_scratch_ptr[2] ;
   int                 m_scratch_size[2] ;
   const size_type     m_league_size ;
-  const size_type     m_team_size ;
+  int                 m_team_size ;
   const size_type     m_vector_size ;
 
   template< class TagType >
@@ -1412,20 +1493,20 @@ public:
       const int nwork = m_league_size * m_team_size ;
       if ( nwork ) {
         const int block_count = UseShflReduction? std::min( m_league_size , size_type(1024*32) )
-          :std::min( m_league_size , m_team_size );
+          :std::min( int(m_league_size) , m_team_size );
 
-        m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_count );
-        m_scratch_flags = cuda_internal_scratch_flags( sizeof(size_type) );
-        m_unified_space = cuda_internal_scratch_unified( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
+        m_scratch_space = cuda_internal_scratch_space(m_policy.space(), ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_count );
+        m_scratch_flags = cuda_internal_scratch_flags(m_policy.space(), sizeof(size_type) );
+        m_unified_space = cuda_internal_scratch_unified( m_policy.space(),ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) );
 
         const dim3 block( m_vector_size , m_team_size , 1 );
         const dim3 grid( block_count , 1 , 1 );
         const int shmem_size_total = m_team_begin + m_shmem_begin + m_shmem_size ;
 
-        CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem_size_total ); // copy to device and execute
+        CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem_size_total , m_policy.space().impl_internal_space_instance() , true ); // copy to device and execute
 
         if(!m_result_ptr_device_accessible) {
-          Cuda::fence();
+          Cuda().fence();
 
           if ( m_result_ptr ) {
             if ( m_unified_space ) {
@@ -1454,6 +1535,7 @@ public:
                                    Kokkos::is_view< ViewType >::value
                                 ,void*>::type = NULL)
   : m_functor( arg_functor )
+  , m_policy ( arg_policy )
   , m_reducer( InvalidType() )
   , m_result_ptr( arg_result.data() )
   , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ViewType::memory_space>::accessible )
@@ -1464,35 +1546,30 @@ public:
   , m_shmem_begin( 0 )
   , m_shmem_size( 0 )
   , m_scratch_ptr{NULL,NULL}
-  , m_scratch_size{
-    arg_policy.scratch_size(0,( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
-                                                                 arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
-                                                                 arg_policy.vector_length() )
-    ), arg_policy.scratch_size(1,( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
-                                                                 arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
-                                                                 arg_policy.vector_length() )
-        )}
   , m_league_size( arg_policy.league_size() )
-  , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
-                                                               arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
-                                                               arg_policy.vector_length() )
+  , m_team_size( arg_policy.team_size() )
   , m_vector_size( arg_policy.vector_length() )
   {
+    cudaFuncAttributes attr = CudaParallelLaunch< ParallelReduce, LaunchBounds >::
+        get_cuda_func_attributes();
+    m_team_size = m_team_size>=0?m_team_size:
+        Kokkos::Impl::cuda_get_opt_block_size< FunctorType, LaunchBounds>(
+      m_policy.space().impl_internal_space_instance(),
+      attr, m_functor , m_vector_size,
+      m_policy.team_scratch_size(0), m_policy.thread_scratch_size(0) )/m_vector_size;
+
     // Return Init value if the number of worksets is zero
-    if( arg_policy.league_size() == 0) {
+    if( m_league_size*m_team_size == 0) {
       ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , arg_result.data() );
       return ;
     }
 
     m_team_begin = UseShflReduction?0:cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( arg_functor , m_team_size );
     m_shmem_begin = sizeof(double) * ( m_team_size + 2 );
-    m_shmem_size = arg_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( arg_functor , m_team_size );
-    m_scratch_ptr[1] = cuda_resize_scratch_space(static_cast<std::int64_t>(m_scratch_size[1])*(static_cast<std::int64_t>(Cuda::concurrency()/(m_team_size*m_vector_size))));
+    m_shmem_size = m_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( arg_functor , m_team_size );
     m_scratch_size[0] = m_shmem_size;
-    m_scratch_size[1] = arg_policy.scratch_size(1,m_team_size);
+    m_scratch_size[1] = m_policy.scratch_size(1,m_team_size);
+    m_scratch_ptr[1] = m_team_size<=0?NULL:cuda_resize_scratch_space(static_cast<std::int64_t>(m_scratch_size[1])*(static_cast<std::int64_t>(Cuda::concurrency()/(m_team_size*m_vector_size))));
 
     // The global parallel_reduce does not support vector_length other than 1 at the moment
     if( (arg_policy.vector_length() > 1) && !UseShflReduction )
@@ -1509,7 +1586,7 @@ public:
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > bad team size"));
     }
 
-    if ( CudaTraits::SharedMemoryCapacity < shmem_size_total ) {
+    if ( m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock < shmem_size_total ) {
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > requested too much L0 scratch memory"));
     }
 
@@ -1523,6 +1600,7 @@ public:
                 , const Policy       & arg_policy
                 , const ReducerType & reducer)
   : m_functor( arg_functor )
+  , m_policy( arg_policy )
   , m_reducer( reducer )
   , m_result_ptr( reducer.view().data() )
   , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ReducerType::result_view_type::memory_space>::accessible )
@@ -1534,12 +1612,17 @@ public:
   , m_shmem_size( 0 )
   , m_scratch_ptr{NULL,NULL}
   , m_league_size( arg_policy.league_size() )
-  , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
-                                                               arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
-      arg_policy.vector_length() )
+  , m_team_size( arg_policy.team_size() )
   , m_vector_size( arg_policy.vector_length() )
   {
+    cudaFuncAttributes attr = CudaParallelLaunch< ParallelReduce, LaunchBounds >::
+        get_cuda_func_attributes();
+    m_team_size = m_team_size>=0?m_team_size:
+        Kokkos::Impl::cuda_get_opt_block_size< FunctorType, LaunchBounds>(
+      m_policy.space().impl_internal_space_instance(),
+      attr, m_functor , m_vector_size,
+      m_policy.team_scratch_size(0), m_policy.thread_scratch_size(0) )/m_vector_size;
+
     // Return Init value if the number of worksets is zero
     if( arg_policy.league_size() == 0) {
       ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , m_result_ptr );
@@ -1548,10 +1631,10 @@ public:
 
     m_team_begin = UseShflReduction?0:cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( arg_functor , m_team_size );
     m_shmem_begin = sizeof(double) * ( m_team_size + 2 );
-    m_shmem_size = arg_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( arg_functor , m_team_size );
-    m_scratch_ptr[1] = cuda_resize_scratch_space(m_scratch_size[1]*(Cuda::concurrency()/(m_team_size*m_vector_size)));
+    m_shmem_size = m_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( arg_functor , m_team_size );
     m_scratch_size[0] = m_shmem_size;
-    m_scratch_size[1] = arg_policy.scratch_size(1,m_team_size);
+    m_scratch_size[1] = m_policy.scratch_size(1,m_team_size);
+    m_scratch_ptr[1] = m_team_size<=0?NULL:cuda_resize_scratch_space(static_cast<ptrdiff_t>(m_scratch_size[1])*static_cast<ptrdiff_t>(Cuda::concurrency()/(m_team_size*m_vector_size)));
 
     // The global parallel_reduce does not support vector_length other than 1 at the moment
     if( (arg_policy.vector_length() > 1) && !UseShflReduction )
@@ -1565,7 +1648,7 @@ public:
     const int shmem_size_total = m_team_begin + m_shmem_begin + m_shmem_size ;
 
     if ( (! Kokkos::Impl::is_integral_power_of_two( m_team_size )  && !UseShflReduction ) ||
-         CudaTraits::SharedMemoryCapacity < shmem_size_total ) {
+         m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock < shmem_size_total ) {
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > bad team size"));
     }
     if ( int(m_team_size) > arg_policy.team_size_max(m_functor,ParallelReduceTag()) ) {
@@ -1575,365 +1658,6 @@ public:
   }
 };
 
-//----------------------------------------------------------------------------
-#else
-//----------------------------------------------------------------------------
-
-template< class FunctorType , class ReducerType, class ... Properties >
-class ParallelReduce< FunctorType
-                    , Kokkos::TeamPolicy< Properties ... >
-                    , ReducerType
-                    , Kokkos::Cuda
-                    >
-{
-private:
-
-  enum : int { align_scratch_value = 0x0100 /* 256 */ };
-  enum : int { align_scratch_mask  = align_scratch_value - 1 };
-
-  KOKKOS_INLINE_FUNCTION static constexpr
-  int align_scratch( const int n )
-    {
-      return ( n & align_scratch_mask )
-             ? n + align_scratch_value - ( n & align_scratch_mask ) : n ;
-    }
-
-  //----------------------------------------
-  // Reducer does not wrap a functor
-  template< class R = ReducerType , class F = void >
-  struct reducer_type : public R {
-
-    template< class S >
-    using rebind = reducer_type< typename R::rebind<S> , void > ;
-
-    KOKKOS_INLINE_FUNCTION
-    reducer_type( FunctorType const *
-                , ReducerType const * arg_reducer
-                , typename R::value_type * arg_value )
-      : R( *arg_reducer , arg_value ) {}
-  };
-
-  // Reducer does wrap a functor
-  template< class R >
-  struct reducer_type< R , FunctorType > : public R {
-
-    template< class S >
-    using rebind = reducer_type< typename R::rebind<S> , FunctorType > ;
-
-    KOKKOS_INLINE_FUNCTION
-    reducer_type( FunctorType const * arg_functor
-                , ReducerType const *
-                , typename R::value_type * arg_value )
-      : R( arg_functor , arg_value ) {}
-  };
-
-  //----------------------------------------
-
-  typedef TeamPolicyInternal< Kokkos::Cuda, Properties ... >  Policy ;
-  typedef CudaTeamMember                           Member ;
-  typedef typename Policy::work_tag                WorkTag ;
-  typedef typename reducer_type<>::pointer_type    pointer_type ;
-  typedef typename reducer_type<>::reference_type  reference_type ;
-  typedef typename reducer_type<>::value_type      value_type ;
-  typedef typename Policy::launch_bounds           LaunchBounds ;
-
-  typedef Kokkos::Impl::FunctorAnalysis
-    < Kokkos::Impl::FunctorPatternInterface::REDUCE
-    , Policy
-    , FunctorType
-    > Analysis ;
-
-public:
-
-  typedef FunctorType      functor_type ;
-  typedef Cuda::size_type  size_type ;
-
-private:
-
-  const FunctorType     m_functor ;
-  const reducer_type<>  m_reducer ;
-  size_type *           m_scratch_space ;
-  size_type *           m_unified_space ;
-  size_type             m_team_begin ;
-  size_type             m_shmem_begin ;
-  size_type             m_shmem_size ;
-  void*                 m_scratch_ptr[2] ;
-  int                   m_scratch_size[2] ;
-  const size_type       m_league_size ;
-  const size_type       m_team_size ;
-  const size_type       m_vector_size ;
-
-  template< class TagType >
-  __device__ inline
-  typename std::enable_if< std::is_same< TagType , void >::value >::type
-  exec_team( const Member & member , reference_type update ) const
-    { m_functor( member , update ); }
-
-  template< class TagType >
-  __device__ inline
-  typename std::enable_if< ! std::is_same< TagType , void >::value >::type
-  exec_team( const Member & member , reference_type update ) const
-    { m_functor( TagType() , member , update ); }
-
-
-public:
-
-  __device__ inline
-  void operator() () const
-    {
-      void * const shmem = kokkos_impl_cuda_shared_memory<char>();
-
-      const bool reduce_to_host =
-        std::is_same< typename reducer_type<>::memory_space
-                    , Kokkos::HostSpace >::value &&
-        m_reducer.data();
-
-      value_type value ;
-
-      typename reducer_type<>::rebind< CudaSpace >
-        reduce( & m_functor , & m_reducer , & value );
-
-      reduce.init( reduce.data() );
-
-      // Iterate this block through the league
-
-      for ( int league_rank = blockIdx.x
-          ; league_rank < m_league_size
-          ; league_rank += gridDim.x ) {
-
-        // Initialization of team member data:
-
-        const Member member
-          ( shmem
-          , m_shmem_team_begin
-          , m_shmem_team_size
-          , reinterpret_cast<char*>(m_scratch_space) + m_global_team_begin
-          , m_global_team_size
-          , league_rank
-          , m_league_size );
-
-        ParallelReduce::template
-          exec_team< WorkTag >( member , reduce.reference() );
-      }
-
-      if ( Member::global_reduce( reduce
-                                , m_scratch_space
-                                , reinterpret_cast<char*>(m_scratch_space)
-                                  + aligned_flag_size
-                                , shmem
-                                , m_shmem_size ) ) {
-
-        // Single thread with data in value
-
-        reduce.final( reduce.data() );
-
-        if ( reduce_to_host ) {
-          reducer.copy( m_unified_space , reduce.data() );
-        }
-      }
-    }
-
-
-  inline
-  void execute()
-    {
-      const bool reduce_to_host =
-        std::is_same< typename reducer_type<>::memory_space
-                    , Kokkos::HostSpace >::value &&
-        m_reducer.data();
-
-      const bool reduce_to_gpu =
-        std::is_same< typename reducer_type<>::memory_space
-                    , Kokkos::CudaSpace >::value &&
-        m_reducer.data();
-
-      if ( m_league_size && m_team_size ) {
-
-        const int value_size = Analysis::value_size( m_functor );
-
-        m_scratch_space = cuda_internal_scratch_space( m_scratch_size );
-        m_unified_space = cuda_internal_scratch_unified( value_size );
-
-        const dim3 block( m_vector_size , m_team_size , m_team_per_block );
-        const dim3 grid( m_league_size , 1 , 1 );
-        const int  shmem = m_shmem_team_begin + m_shmem_team_size ;
-
-        // copy to device and execute
-        CudaParallelLaunch<ParallelReduce,LaunchBounds>( *this, grid, block, shmem );
-
-        Cuda::fence();
-
-        if ( reduce_to_host ) {
-          m_reducer.copy( m_reducer.data() , pointer_type(m_unified_space) );
-        }
-      }
-      else if ( reduce_to_host ) {
-        m_reducer.init( m_reducer.data() );
-      }
-      else if ( reduce_to_gpu ) {
-        value_type tmp ;
-        m_reduce.init( & tmp );
-        cudaMemcpy( m_reduce.data() , & tmp , cudaMemcpyHostToDevice );
-      }
-    }
-
-
-  /**\brief  Set up parameters and allocations for kernel launch.
-   *
-   *  block = { vector_size , team_size , team_per_block }
-   *  grid  = { number_of_teams , 1 , 1 }
-   *
-   *  shmem = shared memory for:
-   *    [ team_reduce_buffer
-   *    , team_scratch_buffer_level_0 ]
-   *  reused by:
-   *    [ global_reduce_buffer ]
-   *
-   *  global_scratch for:
-   *    [ global_reduce_flag_buffer
-   *    , global_reduce_value_buffer
-   *    , team_scratch_buffer_level_1 * max_concurrent_team ]
-   */
-
-  ParallelReduce( FunctorType && arg_functor
-                , Policy      && arg_policy
-                , ReducerType const & arg_reducer
-                )
-  : m_functor( arg_functor )
-    // the input reducer may wrap the input functor so must
-    // generate a reducer bound to the copied functor.
-  , m_reducer( & m_functor , & arg_reducer , arg_reducer.data() )
-  , m_scratch_space( 0 )
-  , m_unified_space( 0 )
-  , m_team_begin( 0 )
-  , m_shmem_begin( 0 )
-  , m_shmem_size( 0 )
-  , m_scratch_ptr{NULL,NULL}
-  , m_league_size( arg_policy.league_size() )
-  , m_team_per_block( 0 )
-  , m_team_size( arg_policy.team_size() )
-  , m_vector_size( arg_policy.vector_length() )
-  {
-    if ( 0 == m_league_size ) return ;
-
-    const int value_size = Analysis::value_size( m_functor );
-
-    //----------------------------------------
-    // Vector length must be <= WarpSize and power of two
-
-    const bool ok_vector = m_vector_size < CudaTraits::WarpSize &&
-      Kokkos::Impl::is_integral_power_of_two( m_vector_size );
-
-    //----------------------------------------
-
-    if ( 0 == m_team_size ) {
-      // Team size is AUTO, use a whole block per team.
-      // Calculate block size using the occupance calculator.
-      // Occupancy calculator assumes whole block.
-
-      m_team_size =
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >
-          ( arg_functor
-          , arg_policy.vector_length()
-          , arg_policy.team_scratch_size(0)
-          , arg_policy.thread_scratch_size(0) / arg_policy.vector_length() );
-
-      m_team_per_block = 1 ;
-    }
-
-    //----------------------------------------
-    // How many CUDA threads per team.
-    // If more than a warp or multiple teams cannot exactly fill a warp
-    // then only one team per block.
-
-    const int team_threads = m_team_size * m_vector_size ;
-
-    if ( ( CudaTraits::WarpSize < team_threads ) ||
-         ( CudaTraits::WarpSize % team_threads ) ) {
-      m_team_per_block = 1 ;
-    }
-
-    //----------------------------------------
-    // How much team scratch shared memory determined from
-    // either the functor or the policy:
-
-    if ( CudaTraits::WarpSize < team_threads ) {
-      // Need inter-warp team reduction (collectives) shared memory
-      // Speculate an upper bound for the value size
-
-      m_shmem_team_begin =
-        align_scratch( CudaTraits::warp_count(team_threads) * sizeof(double) );
-    }
-
-    m_shmem_team_size = arg_policy.scratch_size(0,m_team_size);
-
-    if ( 0 == m_shmem_team_size ) {
-      m_shmem_team_size = Analysis::team_shmem_size( m_functor , m_team_size );
-    }
-
-    m_shmem_team_size = align_scratch( m_shmem_team_size );
-
-    // Can fit a team in a block:
-
-    const bool ok_shmem_team =
-      ( m_shmem_team_begin + m_shmem_team_size )
-      < CudaTraits::SharedMemoryCapacity ;
-
-    //----------------------------------------
-
-    if ( 0 == m_team_per_block ) {
-      // Potentially more than one team per block.
-      // Determine number of teams per block based upon
-      // how much team scratch can fit and exactly filling each warp.
-
-      const int team_per_warp = team_threads / CudaTraits::WarpSize ;
-
-      const int max_team_per_block =
-        Kokkos::Impl::CudaTraits::SharedMemoryCapacity
-        / shmem_team_scratch_size ;
-
-      for ( m_team_per_block = team_per_warp ;
-            m_team_per_block + team_per_warp < max_team_per_block ;
-            m_team_per_block += team_per_warp );
-    }
-
-    //----------------------------------------
-    // How much global reduce scratch shared memory.
-
-    int shmem_global_reduce_size = 8 * value_size ;
-
-    //----------------------------------------
-    // Global scratch memory requirements.
-
-    const int aligned_flag_size = align_scratch( sizeof(int) );
-
-    const int max_concurrent_block =
-      cuda_internal_maximum_concurrent_block_count();
-
-    // Reduce space has claim flag followed by vaue buffer
-    const int global_reduce_value_size =
-      max_concurrent_block *
-      ( aligned_flag_size + align_scratch( value_size ) );
-
-    // Scratch space has claim flag followed by scratch buffer
-    const int global_team_scratch_size =
-      max_concurrent_block * m_team_per_block *
-      ( aligned_flag_size +
-        align_scratch( arg_policy.scratch_size(1,m_team_size) / m_vector_size )
-      );
-
-    const int global_size = aligned_flag_size
-                          + global_reduce_value_size
-                          + global_team_scratch_size ;
-
-    m_global_reduce_begin = aligned_flag_size ;
-    m_global_team_begin   = m_global_reduce_begin + global_reduce_value_size ;
-    m_global_size         = m_global_team_begin + global_team_scratch_size ;
-  }
-};
-
-#endif
-
 } // namespace Impl
 } // namespace Kokkos
 
@@ -1949,9 +1673,9 @@ class ParallelScan< FunctorType
                   , Kokkos::Cuda
                   >
 {
-private:
-
+public:
   typedef Kokkos::RangePolicy< Traits ... >  Policy ;
+private:
   typedef typename Policy::member_type  Member ;
   typedef typename Policy::work_tag     WorkTag ;
   typedef typename Policy::WorkRange    WorkRange ;
@@ -2105,7 +1829,7 @@ public:
   }
 
   // Determine block size constrained by shared memory:
-  static inline
+  inline
   unsigned local_block_size( const FunctorType & f )
     {
       // blockDim.y must be power of two = 128 (4 warps) or 256 (8 warps) or 512 (16 warps)
@@ -2114,7 +1838,7 @@ public:
       // 4 warps was 10% faster than 8 warps and 20% faster than 16 warps in unit testing
 
       unsigned n = CudaTraits::WarpSize * 4 ;
-      while ( n && CudaTraits::SharedMemoryCapacity < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
+      while ( n && unsigned(m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock) < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
       return n ;
     }
 
@@ -2140,18 +1864,18 @@ public:
         // How many block are really needed for this much work:
         const int grid_x = ( nwork + work_per_block - 1 ) / work_per_block ;
 
-        m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( m_functor ) * grid_x );
-        m_scratch_flags = cuda_internal_scratch_flags( sizeof(size_type) * 1 );
+        m_scratch_space = cuda_internal_scratch_space( m_policy.space(), ValueTraits::value_size( m_functor ) * grid_x );
+        m_scratch_flags = cuda_internal_scratch_flags( m_policy.space(), sizeof(size_type) * 1 );
 
         const dim3 grid( grid_x , 1 , 1 );
         const dim3 block( 1 , block_size , 1 ); // REQUIRED DIMENSIONS ( 1 , N , 1 )
         const int shmem = ValueTraits::value_size( m_functor ) * ( block_size + 2 );
 
         m_final = false ;
-        CudaParallelLaunch< ParallelScan, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+        CudaParallelLaunch< ParallelScan, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
 
         m_final = true ;
-        CudaParallelLaunch< ParallelScan, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+        CudaParallelLaunch< ParallelScan, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
       }
     }
 
@@ -2173,9 +1897,10 @@ class ParallelScanWithTotal< FunctorType
                            , Kokkos::Cuda
                            >
 {
-private:
-
+public:
   typedef Kokkos::RangePolicy< Traits ... >  Policy ;
+
+private:
   typedef typename Policy::member_type  Member ;
   typedef typename Policy::work_tag     WorkTag ;
   typedef typename Policy::WorkRange    WorkRange ;
@@ -2332,7 +2057,7 @@ public:
   }
 
   // Determine block size constrained by shared memory:
-  static inline
+  inline
   unsigned local_block_size( const FunctorType & f )
     {
       // blockDim.y must be power of two = 128 (4 warps) or 256 (8 warps) or 512 (16 warps)
@@ -2341,7 +2066,7 @@ public:
       // 4 warps was 10% faster than 8 warps and 20% faster than 16 warps in unit testing
 
       unsigned n = CudaTraits::WarpSize * 4 ;
-      while ( n && CudaTraits::SharedMemoryCapacity < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
+      while ( n && unsigned(m_policy.space().impl_internal_space_instance()->m_maxShmemPerBlock) < cuda_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
       return n ;
     }
 
@@ -2367,18 +2092,18 @@ public:
         // How many block are really needed for this much work:
         const int grid_x = ( nwork + work_per_block - 1 ) / work_per_block ;
 
-        m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( m_functor ) * grid_x );
-        m_scratch_flags = cuda_internal_scratch_flags( sizeof(size_type) * 1 );
+        m_scratch_space = cuda_internal_scratch_space( m_policy.space(), ValueTraits::value_size( m_functor ) * grid_x );
+        m_scratch_flags = cuda_internal_scratch_flags( m_policy.space(), sizeof(size_type) * 1 );
 
         const dim3 grid( grid_x , 1 , 1 );
         const dim3 block( 1 , block_size , 1 ); // REQUIRED DIMENSIONS ( 1 , N , 1 )
         const int shmem = ValueTraits::value_size( m_functor ) * ( block_size + 2 );
 
         m_final = false ;
-        CudaParallelLaunch< ParallelScanWithTotal, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+        CudaParallelLaunch< ParallelScanWithTotal, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
 
         m_final = true ;
-        CudaParallelLaunch< ParallelScanWithTotal, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+        CudaParallelLaunch< ParallelScanWithTotal, LaunchBounds >( *this, grid, block, shmem , m_policy.space().impl_internal_space_instance() , false ); // copy to device and execute
 
         const int size = ValueTraits::value_size( m_functor );
         DeepCopy<HostSpace,CudaSpace>( &m_returnvalue, m_scratch_space + (grid_x - 1)*size/sizeof(int), size );
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
index d09854c3a5e7a4d20336f8c7e6f539a0fc21c6b8..c39dddb19822519be550b8ef2b9592578415cbd6 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
@@ -376,13 +376,13 @@ template< class ReducerType >
 __device__ inline
 typename std::enable_if< Kokkos::is_reducer<ReducerType>::value >::type
 cuda_intra_warp_reduction( const ReducerType& reducer,
+                           typename ReducerType::value_type& result,
                            const uint32_t max_active_thread = blockDim.y) {
 
   typedef typename ReducerType::value_type ValueType;
 
   unsigned int shift = 1;
 
-  ValueType result = reducer.reference();
   //Reduce over values from threads with different threadIdx.y
   while(blockDim.x * shift < 32 ) {
     const ValueType tmp = shfl_down(result, blockDim.x*shift,32u);
@@ -400,6 +400,7 @@ template< class ReducerType >
 __device__ inline
 typename std::enable_if< Kokkos::is_reducer<ReducerType>::value >::type
 cuda_inter_warp_reduction( const ReducerType& reducer,
+                           typename ReducerType::value_type value,
                            const int max_active_thread = blockDim.y) {
 
   typedef typename ReducerType::value_type ValueType;
@@ -410,7 +411,6 @@ cuda_inter_warp_reduction( const ReducerType& reducer,
   // could lead to race conditions
   __shared__ double sh_result[(sizeof(ValueType)+7)/8*STEP_WIDTH];
   ValueType* result = (ValueType*) & sh_result;
-  ValueType value = reducer.reference();
   const int step = 32 / blockDim.x;
   int shift = STEP_WIDTH;
   const int id = threadIdx.y%step==0?threadIdx.y/step:65000;
@@ -438,9 +438,18 @@ template< class ReducerType >
 __device__ inline
 typename std::enable_if< Kokkos::is_reducer<ReducerType>::value >::type
 cuda_intra_block_reduction( const ReducerType& reducer,
+                            typename ReducerType::value_type value,
                             const int max_active_thread = blockDim.y) {
-  cuda_intra_warp_reduction(reducer,max_active_thread);
-  cuda_inter_warp_reduction(reducer,max_active_thread);
+  cuda_intra_warp_reduction(reducer,value,max_active_thread);
+  cuda_inter_warp_reduction(reducer,value,max_active_thread);
+}
+
+template< class ReducerType >
+__device__ inline
+typename std::enable_if< Kokkos::is_reducer<ReducerType>::value >::type
+cuda_intra_block_reduction( const ReducerType& reducer,
+                            const int max_active_thread = blockDim.y) {
+  cuda_intra_block_reduction(reducer,reducer.reference(),max_active_thread);
 }
 
 template< class ReducerType>
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.cpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.cpp
index ee949583f1363a6f8dd03dd636c9da62cf98e3d6..ac36cfd67e3e74cd99db374e2c3ef50463b44bde 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.cpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.cpp
@@ -54,194 +54,8 @@
 namespace Kokkos {
 namespace Impl {
 
-template class TaskQueue< Kokkos::Cuda > ;
-
-//----------------------------------------------------------------------------
-
-__device__
-void TaskQueueSpecialization< Kokkos::Cuda >::driver
-  ( TaskQueueSpecialization< Kokkos::Cuda >::queue_type * const queue 
-  , int32_t shmem_per_warp )
-{
-  using Member = TaskExec< Kokkos::Cuda > ;
-  using Queue  = TaskQueue< Kokkos::Cuda > ;
-  using task_root_type = TaskBase< void , void , void > ;
-
-  extern __shared__ int32_t shmem_all[];
-
-  task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
-
-  int32_t * const warp_shmem =
-    shmem_all + ( threadIdx.z * shmem_per_warp ) / sizeof(int32_t);
-
-  task_root_type * const task_shmem = (task_root_type *) warp_shmem ;
-
-  const int warp_lane = threadIdx.x + threadIdx.y * blockDim.x ;
-
-  Member single_exec( warp_shmem , 1 );
-  Member team_exec( warp_shmem , blockDim.y );
-
-  task_root_type * task_ptr ;
-
-  // Loop until all queues are empty and no tasks in flight
-
-  do {
-
-    // Each team lead attempts to acquire either a thread team task
-    // or collection of single thread tasks for the team.
-
-    if ( 0 == warp_lane ) {
-
-      task_ptr = 0 < *((volatile int *) & queue->m_ready_count) ? end : 0 ;
-
-      // Loop by priority and then type
-      for ( int i = 0 ; i < Queue::NumQueue && end == task_ptr ; ++i ) {
-        for ( int j = 0 ; j < 2 && end == task_ptr ; ++j ) {
-          task_ptr = Queue::pop_ready_task( & queue->m_ready[i][j] );
-        }
-      }
-
-#if 0
-printf("TaskQueue<Cuda>::driver(%d,%d) task(%lx)\n",threadIdx.z,blockIdx.x
-      , uintptr_t(task_ptr));
-#endif
-
-    }
-
-    // Synchronize warp with memory fence before broadcasting task pointer:
-
-    // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "A" );
-    KOKKOS_IMPL_CUDA_SYNCWARP ;
-
-    // Broadcast task pointer:
-
-    ((int*) & task_ptr )[0] = KOKKOS_IMPL_CUDA_SHFL( ((int*) & task_ptr )[0] , 0 , 32 );
-    ((int*) & task_ptr )[1] = KOKKOS_IMPL_CUDA_SHFL( ((int*) & task_ptr )[1] , 0 , 32 );
-
-#if defined( KOKKOS_DEBUG )
-    KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "TaskQueue CUDA task_ptr" );
-#endif
-
-    if ( 0 == task_ptr ) break ; // 0 == queue->m_ready_count
-
-    if ( end != task_ptr ) {
-
-      // Whole warp copy task's closure to/from shared memory.
-      // Use all threads of warp for coalesced read/write.
-
-      int32_t const b = sizeof(task_root_type) / sizeof(int32_t);
-      int32_t const e = *((int32_t volatile *)( & task_ptr->m_alloc_size )) / sizeof(int32_t);
-
-      int32_t volatile * const task_mem = (int32_t volatile *) task_ptr ;
-
-      // copy task closure from global to shared memory:
-
-      for ( int32_t i = warp_lane ; i < e ; i += CudaTraits::WarpSize ) {
-        warp_shmem[i] = task_mem[i] ;
-      }
-
-      // Synchronize threads of the warp and insure memory
-      // writes are visible to all threads in the warp.
-
-      // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "B" );
-      KOKKOS_IMPL_CUDA_SYNCWARP ;
-
-      if ( task_root_type::TaskTeam == task_shmem->m_task_type ) {
-        // Thread Team Task
-        (*task_shmem->m_apply)( task_shmem , & team_exec );
-      }
-      else if ( 0 == threadIdx.y ) {
-        // Single Thread Task
-        (*task_shmem->m_apply)( task_shmem , & single_exec );
-      }
-
-      // Synchronize threads of the warp and insure memory
-      // writes are visible to all threads in the warp.
-
-      // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "C" );
-      KOKKOS_IMPL_CUDA_SYNCWARP ;
-
-      // copy task closure from shared to global memory:
-
-      for ( int32_t i = b + warp_lane ; i < e ; i += CudaTraits::WarpSize ) {
-        task_mem[i] = warp_shmem[i] ;
-      }
-
-      // Synchronize threads of the warp and insure memory
-      // writes are visible to root thread of the warp for
-      // respawn or completion.
-
-      // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "D" );
-      KOKKOS_IMPL_CUDA_SYNCWARP ;
-
-      // If respawn requested copy respawn data back to main memory
-
-      if ( 0 == warp_lane ) {
-
-        if ( ((task_root_type *) task_root_type::LockTag) != task_shmem->m_next ) {
-          ( (volatile task_root_type *) task_ptr )->m_next = task_shmem->m_next ;
-          ( (volatile task_root_type *) task_ptr )->m_priority = task_shmem->m_priority ;
-        }
-
-        queue->complete( task_ptr );
-      }
-    }
-  } while(1);
-}
-
-namespace {
-
-__global__
-void cuda_task_queue_execute( TaskQueue< Kokkos::Cuda > * queue 
-                            , int32_t shmem_size )
-{ TaskQueueSpecialization< Kokkos::Cuda >::driver( queue , shmem_size ); }
-
-}
-
-void TaskQueueSpecialization< Kokkos::Cuda >::execute
-  ( TaskQueue< Kokkos::Cuda > * const queue )
-{
-  const int shared_per_warp = 2048 ;
-  const int warps_per_block = 4 ;
-  const dim3 grid( Kokkos::Impl::cuda_internal_multiprocessor_count() , 1 , 1 );
-  const dim3 block( 1 , Kokkos::Impl::CudaTraits::WarpSize , warps_per_block );
-  const int shared_total = shared_per_warp * warps_per_block ;
-  const cudaStream_t stream = 0 ;
-
-  CUDA_SAFE_CALL( cudaDeviceSynchronize() );
-
-#if 0
-printf("cuda_task_queue_execute before\n");
-#endif
-
-  // Query the stack size, in bytes:
-
-  size_t previous_stack_size = 0 ;
-  CUDA_SAFE_CALL( cudaDeviceGetLimit( & previous_stack_size , cudaLimitStackSize ) );
-
-  // If not large enough then set the stack size, in bytes:
-
-  const size_t larger_stack_size = 2048 ;
-
-  if ( previous_stack_size < larger_stack_size ) {
-    CUDA_SAFE_CALL( cudaDeviceSetLimit( cudaLimitStackSize , larger_stack_size ) );
-  }
-
-  cuda_task_queue_execute<<< grid , block , shared_total , stream >>>( queue , shared_per_warp );
-
-  CUDA_SAFE_CALL( cudaGetLastError() );
-
-  CUDA_SAFE_CALL( cudaDeviceSynchronize() );
-
-  if ( previous_stack_size < larger_stack_size ) {
-    CUDA_SAFE_CALL( cudaDeviceSetLimit( cudaLimitStackSize , previous_stack_size ) );
-  }
-
-#if 0
-printf("cuda_task_queue_execute after\n");
-#endif
-
-}
+template class TaskQueue< Kokkos::Cuda, Impl::default_tasking_memory_space_for_execution_space_t<Kokkos::Cuda> > ;
+template class TaskQueueMultiple< Kokkos::Cuda, Impl::default_tasking_memory_space_for_execution_space_t<Kokkos::Cuda> > ;
 
 }} /* namespace Kokkos::Impl */
 
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.hpp
index 8fa11925672259f24b86212d9cfa4c1c21007361..c35987e49ed6ec209652617dcffb63650b21cde6 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Task.hpp
@@ -50,6 +50,14 @@
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
+#include <Kokkos_Core_fwd.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <Cuda/Kokkos_Cuda_Error.hpp> // CUDA_SAFE_CALL
+#include <impl/Kokkos_TaskTeamMember.hpp>
+
+//----------------------------------------------------------------------------
+
 namespace Kokkos {
 namespace Impl {
 namespace {
@@ -57,54 +65,498 @@ namespace {
 template< typename TaskType >
 __global__
 void set_cuda_task_base_apply_function_pointer
-  ( TaskBase<void,void,void>::function_type * ptr )
-{ *ptr = TaskType::apply ; }
+  ( typename TaskType::function_type * ptr, typename TaskType::destroy_type* dtor )
+{ 
+  *ptr = TaskType::apply;
+  *dtor = TaskType::destroy;
+}
 
+template< typename Scheduler >
+__global__
+void cuda_task_queue_execute( Scheduler scheduler, int32_t shmem_size ) {
+  TaskQueueSpecialization< Scheduler >::driver( std::move(scheduler) , shmem_size );
 }
 
-template< class > class TaskExec ;
+}
+
+template <class, class> class TaskExec ;
+
+template<class QueueType>
+class TaskQueueSpecialization<
+  SimpleTaskScheduler<Kokkos::Cuda, QueueType>
+>
+{
+public:
+
+  using scheduler_type = SimpleTaskScheduler<Kokkos::Cuda, QueueType>;
+  using execution_space = Kokkos::Cuda;
+  using memory_space = Kokkos::CudaUVMSpace;
+  using member_type = TaskExec<Kokkos::Cuda, scheduler_type> ;
+
+  enum : long { max_league_size = 16 };
+  enum : int { warps_per_block = 4 };
+
+  KOKKOS_INLINE_FUNCTION
+  static
+  void iff_single_thread_recursive_execute( scheduler_type const& ) {}
+
+  static int get_max_team_count(
+    execution_space const&
+  ) {
+    return Kokkos::Impl::cuda_internal_multiprocessor_count() * warps_per_block;
+  }
+
+  __device__
+  static void driver(scheduler_type scheduler, int32_t shmem_per_warp)
+  {
+    using queue_type = typename scheduler_type::task_queue_type;
+    using task_base_type = typename scheduler_type::task_base_type;
+    using runnable_task_base_type = typename scheduler_type::runnable_task_base_type;
+    using scheduling_info_storage_type =
+      SchedulingInfoStorage<
+        runnable_task_base_type,
+        typename scheduler_type::task_scheduling_info_type
+      >;
+
+    extern __shared__ int32_t shmem_all[];
+
+    int32_t* const warp_shmem = shmem_all + (threadIdx.z * shmem_per_warp) / sizeof(int32_t);
+
+    task_base_type* const shared_memory_task_copy = (task_base_type*)warp_shmem;
+
+    const int warp_lane = threadIdx.x + threadIdx.y * blockDim.x;
+
+    member_type single_exec(scheduler, warp_shmem, 1);
+    member_type team_exec(scheduler, warp_shmem, blockDim.y);
+
+    auto& queue = scheduler.queue();
+    auto& team_scheduler = team_exec.scheduler();
+
+    auto current_task = OptionalRef<task_base_type>();
+
+    // Loop until all queues are empty and no tasks in flight
+    while(not queue.is_done()) {
+
+      if(warp_lane == 0) {  // should be (?) same as team_exec.team_rank() == 0
+        // pop off a task
+        current_task = queue.pop_ready_task(team_scheduler.team_scheduler_info());
+      }
+
+      // Broadcast task pointer:
+
+      // Sync before the broadcast
+      KOKKOS_IMPL_CUDA_SYNCWARP;
+      
+      // pretend it's an int* for shuffle purposes
+      ((int*) &current_task)[0] = KOKKOS_IMPL_CUDA_SHFL(((int*) &current_task)[0], 0, 32);
+      ((int*) &current_task)[1] = KOKKOS_IMPL_CUDA_SHFL(((int*) &current_task)[1], 0, 32);
+
+      if(current_task) {
+
+        KOKKOS_ASSERT(!current_task->as_runnable_task().get_respawn_flag());
+
+        int32_t b = sizeof(scheduling_info_storage_type) / sizeof(int32_t);
+        static_assert(
+          sizeof(scheduling_info_storage_type) % sizeof(int32_t) == 0,
+          "bad task size"
+        );
+        int32_t const e = current_task->get_allocation_size() / sizeof(int32_t);
+        KOKKOS_ASSERT(current_task->get_allocation_size() % sizeof(int32_t) == 0);
+
+        int32_t volatile* const task_mem = (int32_t volatile*)current_task.get();
+
+        // do a coordinated copy of the task closure from global to shared memory:
+        for(int32_t i = warp_lane; i < e; i += CudaTraits::WarpSize) {
+          warp_shmem[i] = task_mem[i];
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to all threads in the warp.
+        KOKKOS_IMPL_CUDA_SYNCWARP;
+
+        if(shared_memory_task_copy->is_team_runnable()) {
+          // Thread Team Task
+          shared_memory_task_copy->as_runnable_task().run(team_exec);
+        }
+        else if(threadIdx.y == 0) {
+          // TODO @tasking @optimization DSH Change this to warp_lane == 0 when we allow blockDim.x to be more than 1
+          // Single Thread Task
+          shared_memory_task_copy->as_runnable_task().run(single_exec);
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to all threads in the warp.
+
+        KOKKOS_IMPL_CUDA_SYNCWARP;
+
+        //if(warp_lane < b % CudaTraits::WarpSize) b += CudaTraits::WarpSize;
+        //b -= b % CudaTraits::WarpSize;
+
+        // copy task closure from shared to global memory:
+        for (int32_t i = b + warp_lane; i < e; i += CudaTraits::WarpSize) {
+          task_mem[i] = warp_shmem[i];
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to root thread of the warp for
+        // respawn or completion.
+
+        KOKKOS_IMPL_CUDA_SYNCWARP;
+
+
+        if (warp_lane == 0) {
+          // If respawn requested copy respawn data back to main memory
+          if(shared_memory_task_copy->as_runnable_task().get_respawn_flag()) {
+            if(shared_memory_task_copy->as_runnable_task().has_predecessor()) {
+              // It's not necessary to make this a volatile write because
+              // the next read of the predecessor is on this thread in complete,
+              // and the predecessor is cleared there (using a volatile write)
+              current_task->as_runnable_task().acquire_predecessor_from(
+                shared_memory_task_copy->as_runnable_task()
+              );
+            }
+
+            // It may not necessary to make this a volatile write, since the
+            // next read will be done by this thread in complete where the
+            // rescheduling occurs, but since the task could be stolen later
+            // before this is written again, we should do the volatile write
+            // here.  (It might not be necessary though because I don't know
+            // where else the priority would be read after it is scheduled
+            // by this thread; for now, we leave it volatile, but we should
+            // benchmark the cost of this.)
+            current_task.as_volatile()->set_priority(shared_memory_task_copy->get_priority());
+
+            // It's not necessary to make this a volatile write, since the
+            // next read of it (if true) will be by this thread in `complete()`,
+            // which will unset the flag (using volatile) once it has handled
+            // the respawn
+            current_task->as_runnable_task().set_respawn_flag();
+
+          }
+
+          queue.complete(
+            (*std::move(current_task)).as_runnable_task(),
+            team_scheduler.team_scheduler_info()
+          );
+        }
+
+      }
+    }
+  }
+
+  static
+  void execute(scheduler_type const& scheduler)
+  {
+    const int shared_per_warp = 2048 ;
+    const dim3 grid(Kokkos::Impl::cuda_internal_multiprocessor_count(), 1, 1);
+    const dim3 block(1, Kokkos::Impl::CudaTraits::WarpSize, warps_per_block);
+    const int shared_total = shared_per_warp * warps_per_block;
+    const cudaStream_t stream = nullptr;
+
+    KOKKOS_ASSERT(
+      static_cast<long>(grid.x * grid.y * grid.z * block.x * block.y * block.z)
+        == static_cast<long>(get_max_team_count(scheduler.get_execution_space()) * Kokkos::Impl::CudaTraits::WarpSize)
+    );
+
+    auto& queue = scheduler.queue();
+
+    CUDA_SAFE_CALL(cudaDeviceSynchronize());
+
+    // Query the stack size, in bytes:
+
+    size_t previous_stack_size = 0;
+    CUDA_SAFE_CALL(cudaDeviceGetLimit(&previous_stack_size, cudaLimitStackSize));
+
+    // If not large enough then set the stack size, in bytes:
 
-template<>
-class TaskQueueSpecialization< Kokkos::Cuda >
+    const size_t larger_stack_size = 1 << 11;
+
+    if (previous_stack_size < larger_stack_size) {
+      CUDA_SAFE_CALL(cudaDeviceSetLimit(cudaLimitStackSize, larger_stack_size));
+    }
+
+    cuda_task_queue_execute<<<grid, block, shared_total, stream>>>(scheduler, shared_per_warp);
+
+    CUDA_SAFE_CALL(cudaGetLastError());
+
+    CUDA_SAFE_CALL(cudaDeviceSynchronize());
+
+    if (previous_stack_size < larger_stack_size) {
+      CUDA_SAFE_CALL(cudaDeviceSetLimit(cudaLimitStackSize, previous_stack_size));
+    }
+  }
+
+  template <typename TaskType>
+  static
+  // TODO @tasking @optimiazation DSH specialize this for trivially destructible types
+  void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  )
+  {
+    using function_type = typename TaskType::function_type;
+    using destroy_type = typename TaskType::destroy_type;
+
+    // TODO @tasking @minor DSH make sure there aren't any alignment concerns?
+    void* storage = cuda_internal_scratch_unified( 
+      Kokkos::Cuda(),
+      sizeof(function_type) + sizeof(destroy_type)
+    );
+    function_type* ptr_ptr = (function_type*)storage;
+    destroy_type* dtor_ptr = (destroy_type*)((char*)storage + sizeof(function_type));
+
+    CUDA_SAFE_CALL( cudaDeviceSynchronize() );
+
+    set_cuda_task_base_apply_function_pointer<TaskType><<<1,1>>>(ptr_ptr, dtor_ptr);
+
+    CUDA_SAFE_CALL( cudaGetLastError() );
+    CUDA_SAFE_CALL( cudaDeviceSynchronize() );
+
+    ptr = *ptr_ptr;
+    dtor = *dtor_ptr;
+  }
+};
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template<class Scheduler>
+class TaskQueueSpecializationConstrained<
+  Scheduler,
+  typename std::enable_if<
+    std::is_same<typename Scheduler::execution_space, Kokkos::Cuda>::value
+  >::type
+>
 {
 public:
 
-  using execution_space = Kokkos::Cuda ;
-  using memory_space    = Kokkos::CudaUVMSpace ;
-  using queue_type      = TaskQueue< execution_space > ;
-  using member_type     = TaskExec< Kokkos::Cuda > ;
+  using scheduler_type = Scheduler;
+  using execution_space = Kokkos::Cuda;
+  using memory_space = Kokkos::CudaUVMSpace;
+  using member_type = TaskExec<Kokkos::Cuda, Scheduler> ;
 
+  enum : long { max_league_size = 16 };
+
+  KOKKOS_INLINE_FUNCTION
   static
-  void iff_single_thread_recursive_execute( queue_type * const ) {}
+  void iff_single_thread_recursive_execute( scheduler_type const& ) {}
 
   __device__
-  static void driver( queue_type * const , int32_t );
+  static void driver(scheduler_type scheduler, int32_t shmem_per_warp)
+  {
+    using queue_type = typename scheduler_type::queue_type;
+    using task_root_type = TaskBase;
+
+    extern __shared__ int32_t shmem_all[];
+
+    task_root_type* const end = (task_root_type *) task_root_type::EndTag ;
+    task_root_type* const no_more_tasks_sentinel = nullptr;
+
+    int32_t * const warp_shmem =
+      shmem_all + ( threadIdx.z * shmem_per_warp ) / sizeof(int32_t);
+
+    task_root_type * const task_shmem = (task_root_type *) warp_shmem ;
+
+    const int warp_lane = threadIdx.x + threadIdx.y * blockDim.x ;
+
+    member_type single_exec(scheduler, warp_shmem, 1);
+    member_type team_exec(scheduler, warp_shmem, blockDim.y);
+
+    auto& team_queue = team_exec.scheduler().queue();
+
+    task_root_type * task_ptr = no_more_tasks_sentinel;
+
+    // Loop until all queues are empty and no tasks in flight
+
+    do {
+
+      // Each team lead attempts to acquire either a thread team task
+      // or collection of single thread tasks for the team.
+
+      if ( 0 == warp_lane ) {
+
+        if( *((volatile int *) & team_queue.m_ready_count) > 0 ) {
+          task_ptr = end;
+          // Attempt to acquire a task
+          // Loop by priority and then type
+          for ( int i = 0 ; i < queue_type::NumQueue && end == task_ptr ; ++i ) {
+            for ( int j = 0 ; j < 2 && end == task_ptr ; ++j ) {
+              task_ptr = queue_type::pop_ready_task( & team_queue.m_ready[i][j] );
+            }
+          }
+        }
+        else {
+          // returns nullptr if and only if all other queues have a ready
+          // count of 0 also. Otherwise, returns a task from another queue
+          // or `end` if one couldn't be popped
+          task_ptr = team_queue.attempt_to_steal_task();
+          #if 0
+          if(task != no_more_tasks_sentinel && task != end) {
+            std::printf("task stolen on rank %d\n", team_exec.league_rank());
+          }
+          #endif
+        }
+
+      }
+
+      // Synchronize warp with memory fence before broadcasting task pointer:
+
+      // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "A" );
+      KOKKOS_IMPL_CUDA_SYNCWARP ;
+
+      // Broadcast task pointer:
+
+      ((int*) & task_ptr )[0] = KOKKOS_IMPL_CUDA_SHFL( ((int*) & task_ptr )[0] , 0 , 32 );
+      ((int*) & task_ptr )[1] = KOKKOS_IMPL_CUDA_SHFL( ((int*) & task_ptr )[1] , 0 , 32 );
+
+      #if defined( KOKKOS_DEBUG )
+      KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "TaskQueue CUDA task_ptr" );
+      #endif
+
+      if ( 0 == task_ptr ) break ; // 0 == queue->m_ready_count
+
+      if ( end != task_ptr ) {
+
+        // Whole warp copy task's closure to/from shared memory.
+        // Use all threads of warp for coalesced read/write.
+
+        int32_t const b = sizeof(task_root_type) / sizeof(int32_t);
+        int32_t const e = *((int32_t volatile *)( & task_ptr->m_alloc_size )) / sizeof(int32_t);
+
+        int32_t volatile * const task_mem = (int32_t volatile *) task_ptr ;
+
+        KOKKOS_ASSERT(e * sizeof(int32_t) < shmem_per_warp);
+
+        // copy task closure from global to shared memory:
+
+        for ( int32_t i = warp_lane ; i < e ; i += CudaTraits::WarpSize ) {
+          warp_shmem[i] = task_mem[i] ;
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to all threads in the warp.
+
+        // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "B" );
+        KOKKOS_IMPL_CUDA_SYNCWARP ;
+
+        if ( task_root_type::TaskTeam == task_shmem->m_task_type ) {
+          // Thread Team Task
+          (*task_shmem->m_apply)( task_shmem , & team_exec );
+        }
+        else if ( 0 == threadIdx.y ) {
+          // Single Thread Task
+          (*task_shmem->m_apply)( task_shmem , & single_exec );
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to all threads in the warp.
+
+        // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "C" );
+        KOKKOS_IMPL_CUDA_SYNCWARP ;
+
+        // copy task closure from shared to global memory:
+
+        for ( int32_t i = b + warp_lane ; i < e ; i += CudaTraits::WarpSize ) {
+          task_mem[i] = warp_shmem[i] ;
+        }
+
+        // Synchronize threads of the warp and insure memory
+        // writes are visible to root thread of the warp for
+        // respawn or completion.
+
+        // KOKKOS_IMPL_CUDA_SYNCWARP_OR_RETURN( "D" );
+        KOKKOS_IMPL_CUDA_SYNCWARP ;
+
+        // If respawn requested copy respawn data back to main memory
+
+        if ( 0 == warp_lane ) {
+
+          if ( ((task_root_type *) task_root_type::LockTag) != task_shmem->m_next ) {
+            ( (volatile task_root_type *) task_ptr )->m_next = task_shmem->m_next ;
+            ( (volatile task_root_type *) task_ptr )->m_priority = task_shmem->m_priority ;
+          }
+
+          team_queue.complete( task_ptr );
+        }
+
+      }
+    } while(1);
+  }
 
   static
-  void execute( queue_type * const );
+  void execute(scheduler_type const& scheduler)
+  {
+    const int shared_per_warp = 2048 ;
+    const int warps_per_block = 4 ;
+    const dim3 grid( Kokkos::Impl::cuda_internal_multiprocessor_count() , 1 , 1 );
+    //const dim3 grid( 1 , 1 , 1 );
+    const dim3 block( 1 , Kokkos::Impl::CudaTraits::WarpSize , warps_per_block );
+    const int shared_total = shared_per_warp * warps_per_block ;
+    const cudaStream_t stream = 0 ;
+
+    auto& queue = scheduler.queue();
+    queue.initialize_team_queues(warps_per_block * grid.x);
+
+    CUDA_SAFE_CALL( cudaDeviceSynchronize() );
+
+    // Query the stack size, in bytes:
+
+    size_t previous_stack_size = 0 ;
+    CUDA_SAFE_CALL( cudaDeviceGetLimit( & previous_stack_size , cudaLimitStackSize ) );
+
+    // If not large enough then set the stack size, in bytes:
+
+    const size_t larger_stack_size = 2048 ;
+
+    if ( previous_stack_size < larger_stack_size ) {
+      CUDA_SAFE_CALL( cudaDeviceSetLimit( cudaLimitStackSize , larger_stack_size ) );
+    }
+
+    cuda_task_queue_execute<<< grid , block , shared_total , stream >>>( scheduler , shared_per_warp );
+
+    CUDA_SAFE_CALL( cudaGetLastError() );
+
+    CUDA_SAFE_CALL( cudaDeviceSynchronize() );
+
+    if ( previous_stack_size < larger_stack_size ) {
+      CUDA_SAFE_CALL( cudaDeviceSetLimit( cudaLimitStackSize , previous_stack_size ) );
+    }
+
+  }
 
   template< typename TaskType >
   static
-  typename TaskType::function_type
-  get_function_pointer()
+  void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  )
     {
-      using function_type = typename TaskType::function_type ;
+      using function_type = typename TaskType::function_type;
+      using destroy_type = typename TaskType::destroy_type;
 
-      function_type * const ptr =
-        (function_type*) cuda_internal_scratch_unified( sizeof(function_type) );
+      void* storage = cuda_internal_scratch_unified(
+        Kokkos::Cuda(),
+        sizeof(function_type) + sizeof(destroy_type)
+      );
+      function_type* ptr_ptr = (function_type*)storage;
+      destroy_type* dtor_ptr = (destroy_type*)((char*)storage + sizeof(function_type));
 
       CUDA_SAFE_CALL( cudaDeviceSynchronize() );
 
-      set_cuda_task_base_apply_function_pointer<TaskType><<<1,1>>>(ptr);
+      set_cuda_task_base_apply_function_pointer<TaskType><<<1,1>>>(ptr_ptr, dtor_ptr);
 
       CUDA_SAFE_CALL( cudaGetLastError() );
       CUDA_SAFE_CALL( cudaDeviceSynchronize() );
 
-      return *ptr ;
+      ptr = *ptr_ptr;
+      dtor = *dtor_ptr;
+
     }
 };
 
-extern template class TaskQueue< Kokkos::Cuda > ;
+extern template class TaskQueue< Kokkos::Cuda, default_tasking_memory_space_for_execution_space_t<Kokkos::Cuda> > ;
 
 }} /* namespace Kokkos::Impl */
 
@@ -136,8 +588,8 @@ namespace Impl {
  *  When executing a single thread task the syncwarp or other
  *  warp synchronizing functions must not be called.
  */
-template<>
-class TaskExec< Kokkos::Cuda >
+template <class Scheduler>
+class TaskExec<Kokkos::Cuda, Scheduler>
 {
 private:
 
@@ -148,24 +600,39 @@ private:
   TaskExec & operator = ( TaskExec && ) = delete ;
   TaskExec & operator = ( TaskExec const & ) = delete ;
 
-  friend class Kokkos::Impl::TaskQueue< Kokkos::Cuda > ;
-  friend class Kokkos::Impl::TaskQueueSpecialization< Kokkos::Cuda > ;
+  friend class Kokkos::Impl::TaskQueue< Kokkos::Cuda, default_tasking_memory_space_for_execution_space_t<Kokkos::Cuda> > ;
+  template <class, class>
+  friend class Kokkos::Impl::TaskQueueSpecializationConstrained;
+  template <class>
+  friend class Kokkos::Impl::TaskQueueSpecialization;
 
   int32_t * m_team_shmem ;
   const int m_team_size ;
+  Scheduler m_scheduler;
 
   // If constructed with arg_team_size == 1 the object
   // can only be used by 0 == threadIdx.y.
-  __device__
-  TaskExec( int32_t * arg_team_shmem , int arg_team_size = blockDim.y )
-    : m_team_shmem( arg_team_shmem )
-    , m_team_size( arg_team_size ) {}
+  KOKKOS_INLINE_FUNCTION
+  TaskExec(
+    Scheduler const& parent_scheduler,
+    int32_t* arg_team_shmem,
+    int arg_team_size = blockDim.y
+  )
+    : m_team_shmem(arg_team_shmem),
+      m_team_size(arg_team_size),
+      m_scheduler(parent_scheduler.get_team_scheduler(league_rank()))
+  { }
 
 public:
 
+  using thread_team_member = TaskExec;
+
 #if defined( __CUDA_ARCH__ )
-  __device__ int  team_rank() const { return threadIdx.y ; }
-  __device__ int  team_size() const { return m_team_size ; }
+  __device__ int team_rank() const { return threadIdx.y ; }
+  __device__ int team_size() const { return m_team_size ; }
+  //__device__ int league_rank() const { return threadIdx.z; }
+  __device__ int league_rank() const { return blockIdx.x * blockDim.z + threadIdx.z; }
+  __device__ int league_size() const { return blockDim.z * gridDim.x; }
 
   __device__ void team_barrier() const
     {
@@ -186,13 +653,18 @@ public:
     }
 
 #else
-  __host__ int  team_rank() const { return 0 ; }
-  __host__ int  team_size() const { return 0 ; }
+  __host__ int team_rank() const { return 0 ; }
+  __host__ int team_size() const { return 0 ; }
+  __host__ int league_rank() const { return 0; }
+  __host__ int league_size() const { return 0; }
   __host__ void team_barrier() const {}
   template< class ValueType >
   __host__ void team_broadcast( ValueType & , const int ) const {}
 #endif
 
+  KOKKOS_INLINE_FUNCTION Scheduler const& scheduler() const noexcept { return m_scheduler; }
+  KOKKOS_INLINE_FUNCTION Scheduler& scheduler() noexcept { return m_scheduler; }
+
 };
 
 }} /* namespace Kokkos::Impl */
@@ -203,20 +675,22 @@ public:
 namespace Kokkos {
 namespace Impl {
 
-template<typename iType>
-struct TeamThreadRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
+template<typename iType, typename Scheduler>
+struct TeamThreadRangeBoundariesStruct<iType, TaskExec<Kokkos::Cuda, Scheduler>>
 {
-  typedef iType index_type;
+  using index_type = iType;
+  using member_type = TaskExec<Kokkos::Cuda, Scheduler>;
+
   const iType start ;
   const iType end ;
   const iType increment ;
-  const TaskExec< Kokkos::Cuda > & thread;
+  member_type const& thread;
 
 #if defined( __CUDA_ARCH__ )
 
   __device__ inline
   TeamThreadRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const iType& arg_count)
+    ( member_type const& arg_thread, const iType& arg_count)
     : start( threadIdx.y )
     , end(arg_count)
     , increment( blockDim.y )
@@ -225,7 +699,7 @@ struct TeamThreadRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 
   __device__ inline
   TeamThreadRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread
+    ( member_type const& arg_thread
     , const iType & arg_start
     , const iType & arg_end
     )
@@ -238,10 +712,10 @@ struct TeamThreadRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 #else
 
   TeamThreadRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const iType& arg_count);
+    ( member_type const& arg_thread, const iType& arg_count);
 
   TeamThreadRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread
+    ( member_type const& arg_thread
     , const iType & arg_start
     , const iType & arg_end
     );
@@ -252,20 +726,22 @@ struct TeamThreadRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 
 //----------------------------------------------------------------------------
 
-template<typename iType>
-struct ThreadVectorRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
+template<typename iType, typename Scheduler>
+struct ThreadVectorRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda, Scheduler > >
 {
-  typedef iType index_type;
+  using index_type = iType;
+  using member_type = TaskExec<Kokkos::Cuda, Scheduler>;
+
   const index_type start ;
   const index_type end ;
   const index_type increment ;
-  const TaskExec< Kokkos::Cuda > & thread;
+  const member_type& thread;
 
 #if defined( __CUDA_ARCH__ )
 
   __device__ inline
   ThreadVectorRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const index_type& arg_count )
+    ( member_type const& arg_thread, const index_type& arg_count )
     : start( threadIdx.x )
     , end(arg_count)
     , increment( blockDim.x )
@@ -274,9 +750,9 @@ struct ThreadVectorRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 
   __device__ inline
   ThreadVectorRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const index_type& arg_begin, const index_type& arg_end )
+    ( member_type const& arg_thread, const index_type& arg_begin, const index_type& arg_end )
     : start( arg_begin + threadIdx.x )
-    , end(arg_count)
+    , end(arg_end)
     , increment( blockDim.x )
     , thread(arg_thread)
     {}
@@ -284,10 +760,10 @@ struct ThreadVectorRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 #else
 
   ThreadVectorRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const index_type& arg_count );
+    ( member_type const& arg_thread, const index_type& arg_count );
 
   ThreadVectorRangeBoundariesStruct
-    ( const TaskExec< Kokkos::Cuda > & arg_thread, const index_type& arg_begin, const index_type& arg_end);
+    ( member_type const& arg_thread, const index_type& arg_begin, const index_type& arg_end);
 
 #endif
 
@@ -299,69 +775,69 @@ struct ThreadVectorRangeBoundariesStruct<iType, TaskExec< Kokkos::Cuda > >
 
 namespace Kokkos {
 
-template<typename iType>
-KOKKOS_INLINE_FUNCTION
-Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >
-TeamThreadRange( const Impl::TaskExec< Kokkos::Cuda > & thread, const iType & count )
-{
-  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >( thread, count );
-}
-
-template<typename iType1, typename iType2>
-KOKKOS_INLINE_FUNCTION
-Impl::TeamThreadRangeBoundariesStruct
-  < typename std::common_type<iType1,iType2>::type
-  , Impl::TaskExec< Kokkos::Cuda > >
-TeamThreadRange( const Impl::TaskExec< Kokkos::Cuda > & thread
-               , const iType1 & begin, const iType2 & end )
-{
-  typedef typename std::common_type< iType1, iType2 >::type iType;
-  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >(
-           thread, iType(begin), iType(end) );
-}
-
-template<typename iType>
-KOKKOS_INLINE_FUNCTION
-Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >
-ThreadVectorRange( const Impl::TaskExec< Kokkos::Cuda > & thread
-                 , const iType & count )
-{
-  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >(thread,count);
-}
-
-template<typename iType>
-KOKKOS_INLINE_FUNCTION
-Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >
-ThreadVectorRange( const Impl::TaskExec< Kokkos::Cuda > & thread
-                 , const iType & arg_begin
-                 , const iType & arg_end )
-{
-  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >(thread,arg_begin,arg_end);
-}
-
-KOKKOS_INLINE_FUNCTION
-Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >
-PerTeam(const Impl::TaskExec< Kokkos::Cuda >& thread)
-{
-  return Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >(thread);
-}
-
-KOKKOS_INLINE_FUNCTION
-Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >
-PerThread(const Impl::TaskExec< Kokkos::Cuda >& thread)
-{
-  return Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >(thread);
-}
+//template<typename iType>
+//KOKKOS_INLINE_FUNCTION
+//Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >
+//TeamThreadRange( const Impl::TaskExec< Kokkos::Cuda > & thread, const iType & count )
+//{
+//  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >( thread, count );
+//}
+//
+//template<typename iType1, typename iType2>
+//KOKKOS_INLINE_FUNCTION
+//Impl::TeamThreadRangeBoundariesStruct
+//  < typename std::common_type<iType1,iType2>::type
+//  , Impl::TaskExec< Kokkos::Cuda > >
+//TeamThreadRange( const Impl::TaskExec< Kokkos::Cuda > & thread
+//               , const iType1 & begin, const iType2 & end )
+//{
+//  typedef typename std::common_type< iType1, iType2 >::type iType;
+//  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::TaskExec< Kokkos::Cuda > >(
+//           thread, iType(begin), iType(end) );
+//}
+//
+//template<typename iType>
+//KOKKOS_INLINE_FUNCTION
+//Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >
+//ThreadVectorRange( const Impl::TaskExec< Kokkos::Cuda > & thread
+//                 , const iType & count )
+//{
+//  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >(thread,count);
+//}
+//
+//template<typename iType>
+//KOKKOS_INLINE_FUNCTION
+//Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >
+//ThreadVectorRange( const Impl::TaskExec< Kokkos::Cuda > & thread
+//                 , const iType & arg_begin
+//                 , const iType & arg_end )
+//{
+//  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >(thread,arg_begin,arg_end);
+//}
+
+// KOKKOS_INLINE_FUNCTION
+// Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >
+// PerTeam(const Impl::TaskExec< Kokkos::Cuda >& thread)
+// {
+//   return Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >(thread);
+// }
+
+// KOKKOS_INLINE_FUNCTION
+// Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >
+// PerThread(const Impl::TaskExec< Kokkos::Cuda >& thread)
+// {
+//   return Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >(thread);
+// }
 
 /** \brief  Inter-thread parallel_for. Executes lambda(iType i) for each i=0..N-1.
  *
  * The range i=0..N-1 is mapped to all threads of the the calling thread team.
  * This functionality requires C++11 support.
 */
-template<typename iType, class Lambda>
+template<typename iType, class Lambda, class Scheduler>
 KOKKOS_INLINE_FUNCTION
 void parallel_for
-  ( const Impl::TeamThreadRangeBoundariesStruct<iType,Impl:: TaskExec< Kokkos::Cuda > >& loop_boundaries
+  ( const Impl::TeamThreadRangeBoundariesStruct<iType,Impl:: TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries
   , const Lambda& lambda
   )
 {
@@ -370,10 +846,10 @@ void parallel_for
   }
 }
 
-template< typename iType, class Lambda >
+template< typename iType, class Lambda, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_for
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Lambda & lambda) {
   for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
     lambda(i);
@@ -459,14 +935,14 @@ void parallel_reduce
 // blockDim.y == team_size
 // threadIdx.x == position in vec
 // threadIdx.y == member number
-template< typename iType, class Lambda, typename ValueType >
+template< typename iType, class Lambda, typename ValueType, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_reduce
-  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Lambda & lambda,
    ValueType& initialized_result) {
 
-  //TODO what is the point of creating this temporary?
+  //TODO @internal_documentation what is the point of creating this temporary?
   ValueType result = initialized_result;
   for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
     lambda(i,result);
@@ -487,15 +963,15 @@ void parallel_reduce
   }
 }
 
-template< typename iType, class Lambda, typename ReducerType >
+template< typename iType, class Lambda, typename ReducerType, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_reduce
-  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Lambda & lambda,
    const ReducerType& reducer) {
 
   typedef typename ReducerType::value_type ValueType;
-  //TODO what is the point of creating this temporary?
+  //TODO @internal_documentation what is the point of creating this temporary?
   ValueType result = ValueType();
   reducer.init(result);
 
@@ -549,10 +1025,10 @@ void parallel_reduce
 // blockDim.y == team_size
 // threadIdx.x == position in vec
 // threadIdx.y == member number
-template< typename iType, class Lambda, typename ValueType >
+template< typename iType, class Lambda, typename ValueType, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_reduce
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Lambda & lambda,
    ValueType& initialized_result) {
 
@@ -576,10 +1052,10 @@ void parallel_reduce
   }
 }
 
-template< typename iType, class Lambda, typename ReducerType >
+template< typename iType, class Lambda, typename ReducerType, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_reduce
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Lambda & lambda,
    const ReducerType& reducer) {
 
@@ -611,10 +1087,10 @@ void parallel_reduce
 // blockDim.y == team_size
 // threadIdx.x == position in vec
 // threadIdx.y == member number
-template< typename iType, class Closure >
+template< typename iType, class Closure, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_scan
-  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Closure & closure )
 {
   // Extract value_type from closure
@@ -676,10 +1152,10 @@ void parallel_scan
 // blockDim.y == team_size
 // threadIdx.x == position in vec
 // threadIdx.y == member number
-template< typename iType, class Closure >
+template< typename iType, class Closure, class Scheduler >
 KOKKOS_INLINE_FUNCTION
 void parallel_scan
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda > >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::TaskExec< Kokkos::Cuda, Scheduler > >& loop_boundaries,
    const Closure & closure )
 {
   // Extract value_type from closure
@@ -735,25 +1211,25 @@ void parallel_scan
 
 namespace Kokkos {
 
-  template<class FunctorType>
+  template<class FunctorType, class Scheduler>
   KOKKOS_INLINE_FUNCTION
-  void single(const Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >& , const FunctorType& lambda) {
+  void single(const Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda, Scheduler > >& , const FunctorType& lambda) {
 #ifdef __CUDA_ARCH__
     if(threadIdx.x == 0) lambda();
 #endif
   }
   
-  template<class FunctorType>
+  template<class FunctorType, class Scheduler>
   KOKKOS_INLINE_FUNCTION
-  void single(const Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >& , const FunctorType& lambda) {
+  void single(const Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda, Scheduler > >& , const FunctorType& lambda) {
 #ifdef __CUDA_ARCH__
     if(threadIdx.x == 0 && threadIdx.y == 0) lambda();
 #endif
   }
   
-  template<class FunctorType, class ValueType>
+  template<class FunctorType, class ValueType, class Scheduler>
   KOKKOS_INLINE_FUNCTION
-  void single(const Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda > >& s , const FunctorType& lambda, ValueType& val) {
+  void single(const Impl::VectorSingleStruct<Impl::TaskExec< Kokkos::Cuda, Scheduler > >& s , const FunctorType& lambda, ValueType& val) {
 #ifdef __CUDA_ARCH__
     if(threadIdx.x == 0) lambda(val);
     if ( 1 < s.team_member.team_size() ) {
@@ -762,9 +1238,9 @@ namespace Kokkos {
 #endif
   }
   
-  template<class FunctorType, class ValueType>
+  template<class FunctorType, class ValueType, class Scheduler>
   KOKKOS_INLINE_FUNCTION
-  void single(const Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda > >& single_struct, const FunctorType& lambda, ValueType& val) {
+  void single(const Impl::ThreadSingleStruct<Impl::TaskExec< Kokkos::Cuda, Scheduler > >& single_struct, const FunctorType& lambda, ValueType& val) {
 #ifdef __CUDA_ARCH__
     if(threadIdx.x == 0 && threadIdx.y == 0) {
       lambda(val);
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
index 18271a51469ace822f0e4f483a3ee8c576a151b9..587ad6001dfa78d57fe0c0e22246f2b7cfa811e5 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
@@ -56,9 +56,9 @@
 #include <utility>
 #include <Kokkos_Parallel.hpp>
 
-#include <Cuda/Kokkos_CudaExec.hpp>
+#include <Cuda/Kokkos_Cuda_KernelLaunch.hpp>
 #include <Cuda/Kokkos_Cuda_ReduceScan.hpp>
-#include <Cuda/Kokkos_Cuda_Internal.hpp>
+#include <Cuda/Kokkos_Cuda_BlockSize_Deduction.hpp>
 #include <Kokkos_Vectorization.hpp>
 
 #if defined(KOKKOS_ENABLE_PROFILING)
@@ -101,11 +101,13 @@ struct CudaJoinFunctor {
  *  total available shared memory must be partitioned among teams.
  */
 class CudaTeamMember {
-private:
 
+public:
   typedef Kokkos::Cuda                           execution_space ;
   typedef execution_space::scratch_memory_space  scratch_memory_space ;
 
+private:
+
   mutable void        * m_team_reduce ;
   scratch_memory_space  m_team_shared ;
   int                   m_team_reduce_size ;
@@ -221,12 +223,21 @@ public:
   KOKKOS_INLINE_FUNCTION
   typename std::enable_if< is_reducer< ReducerType >::value >::type
   team_reduce( ReducerType const & reducer ) const noexcept
+    {
+      team_reduce(reducer,reducer.reference());
+    }
+  
+  template< typename ReducerType >
+  KOKKOS_INLINE_FUNCTION
+  typename std::enable_if< is_reducer< ReducerType >::value >::type
+  team_reduce( ReducerType const & reducer, typename ReducerType::value_type& value ) const noexcept
     {
       #ifdef __CUDA_ARCH__
-      cuda_intra_block_reduction(reducer,blockDim.y);
+      cuda_intra_block_reduction(reducer,value,blockDim.y);
       #endif /* #ifdef __CUDA_ARCH__ */
     }
 
+
   //--------------------------------------------------------------------------
   /** \brief  Intra-team exclusive prefix sum with team_rank() ordering
    *          with intra-team non-deterministic ordering accumulation.
@@ -281,20 +292,28 @@ public:
   template< typename ReducerType >
   KOKKOS_INLINE_FUNCTION static
   typename std::enable_if< is_reducer< ReducerType >::value >::type
-  vector_reduce( ReducerType const & reducer )
+  vector_reduce( ReducerType const & reducer ) {
+    vector_reduce(reducer,reducer.reference());
+  }
+
+  template< typename ReducerType >
+  KOKKOS_INLINE_FUNCTION static
+  typename std::enable_if< is_reducer< ReducerType >::value >::type
+  vector_reduce( ReducerType const & reducer, typename ReducerType::value_type& value )
     {
 
       #ifdef __CUDA_ARCH__
       if(blockDim.x == 1) return;
 
       // Intra vector lane shuffle reduction:
-      typename ReducerType::value_type tmp ( reducer.reference() );
+      typename ReducerType::value_type tmp ( value );
+      typename ReducerType::value_type tmp2 = tmp;
 
       unsigned mask = blockDim.x==32?0xffffffff:((1<<blockDim.x)-1)<<((threadIdx.y%(32/blockDim.x))*blockDim.x);
 
       for ( int i = blockDim.x ; ( i >>= 1 ) ; ) {
-        cuda_shfl_down( reducer.reference() , tmp , i , blockDim.x , mask );
-        if ( (int)threadIdx.x < i ) { reducer.join( tmp , reducer.reference() ); }
+        cuda_shfl_down( tmp2 , tmp , i , blockDim.x , mask );
+        if ( (int)threadIdx.x < i ) { reducer.join( tmp , tmp2 ); }
       }
 
       // Broadcast from root lane to all other lanes.
@@ -302,7 +321,9 @@ public:
       // because floating point summation is not associative
       // and thus different threads could have different results.
 
-      cuda_shfl( reducer.reference() , tmp , 0 , blockDim.x , mask );
+      cuda_shfl( tmp2 , tmp , 0 , blockDim.x , mask );
+      value = tmp2;
+      reducer.reference() = tmp2;
       #endif
     }
 
@@ -543,19 +564,37 @@ struct TeamThreadRangeBoundariesStruct<iType,CudaTeamMember> {
   const iType end;
 
   KOKKOS_INLINE_FUNCTION
-  TeamThreadRangeBoundariesStruct (const CudaTeamMember& thread_, const iType& count)
+  TeamThreadRangeBoundariesStruct (const CudaTeamMember& thread_, iType count)
     : member(thread_)
     , start( 0 )
     , end( count ) {}
 
   KOKKOS_INLINE_FUNCTION
-  TeamThreadRangeBoundariesStruct (const CudaTeamMember& thread_,  const iType& begin_, const iType& end_)
+  TeamThreadRangeBoundariesStruct (const CudaTeamMember& thread_, iType begin_, iType end_)
     : member(thread_)
     , start( begin_ )
     , end( end_ ) {}
 };
 
+template<typename iType>
+struct TeamVectorRangeBoundariesStruct<iType,CudaTeamMember> {
+  typedef iType index_type;
+  const CudaTeamMember& member;
+  const iType start;
+  const iType end;
+
+  KOKKOS_INLINE_FUNCTION
+  TeamVectorRangeBoundariesStruct (const CudaTeamMember& thread_, const iType& count)
+    : member(thread_)
+    , start( 0 )
+    , end( count ) {}
 
+  KOKKOS_INLINE_FUNCTION
+  TeamVectorRangeBoundariesStruct (const CudaTeamMember& thread_,  const iType& begin_, const iType& end_)
+    : member(thread_)
+    , start( begin_ )
+    , end( end_ ) {}
+};
 
 template<typename iType>
 struct ThreadVectorRangeBoundariesStruct<iType,CudaTeamMember> {
@@ -564,19 +603,19 @@ struct ThreadVectorRangeBoundariesStruct<iType,CudaTeamMember> {
   const index_type end;
 
   KOKKOS_INLINE_FUNCTION
-  ThreadVectorRangeBoundariesStruct (const CudaTeamMember, const index_type& count)
+  ThreadVectorRangeBoundariesStruct (const CudaTeamMember, index_type count)
     : start( static_cast<index_type>(0) ), end( count ) {}
 
   KOKKOS_INLINE_FUNCTION
-  ThreadVectorRangeBoundariesStruct (const index_type& count)
+  ThreadVectorRangeBoundariesStruct (index_type count)
     : start( static_cast<index_type>(0) ), end( count ) {}
 
   KOKKOS_INLINE_FUNCTION
-  ThreadVectorRangeBoundariesStruct (const CudaTeamMember, const index_type& arg_begin, const index_type& arg_end)
+  ThreadVectorRangeBoundariesStruct (const CudaTeamMember, index_type arg_begin, index_type arg_end)
     : start( arg_begin ), end( arg_end ) {}
 
   KOKKOS_INLINE_FUNCTION
-  ThreadVectorRangeBoundariesStruct (const index_type& arg_begin, const index_type& arg_end)
+  ThreadVectorRangeBoundariesStruct (index_type arg_begin, index_type arg_end)
     : start( arg_begin ), end( arg_end ) {}
 };
 
@@ -585,7 +624,7 @@ struct ThreadVectorRangeBoundariesStruct<iType,CudaTeamMember> {
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::TeamThreadRangeBoundariesStruct< iType, Impl::CudaTeamMember >
-TeamThreadRange( const Impl::CudaTeamMember & thread, const iType & count ) {
+TeamThreadRange( const Impl::CudaTeamMember & thread, iType count ) {
   return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::CudaTeamMember >( thread, count );
 }
 
@@ -593,22 +632,38 @@ template< typename iType1, typename iType2 >
 KOKKOS_INLINE_FUNCTION
 Impl::TeamThreadRangeBoundariesStruct< typename std::common_type< iType1, iType2 >::type,
                                        Impl::CudaTeamMember >
-TeamThreadRange( const Impl::CudaTeamMember & thread, const iType1 & begin, const iType2 & end ) {
+TeamThreadRange( const Impl::CudaTeamMember & thread, iType1 begin, iType2 end ) {
   typedef typename std::common_type< iType1, iType2 >::type iType;
   return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::CudaTeamMember >( thread, iType(begin), iType(end) );
 }
 
+template<typename iType>
+KOKKOS_INLINE_FUNCTION
+Impl::TeamVectorRangeBoundariesStruct< iType, Impl::CudaTeamMember >
+TeamVectorRange( const Impl::CudaTeamMember & thread, const iType & count ) {
+  return Impl::TeamVectorRangeBoundariesStruct< iType, Impl::CudaTeamMember >( thread, count );
+}
+
+template< typename iType1, typename iType2 >
+KOKKOS_INLINE_FUNCTION
+Impl::TeamVectorRangeBoundariesStruct< typename std::common_type< iType1, iType2 >::type,
+                                       Impl::CudaTeamMember >
+TeamVectorRange( const Impl::CudaTeamMember & thread, const iType1 & begin, const iType2 & end ) {
+  typedef typename std::common_type< iType1, iType2 >::type iType;
+  return Impl::TeamVectorRangeBoundariesStruct< iType, Impl::CudaTeamMember >( thread, iType(begin), iType(end) );
+}
+
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember >
-ThreadVectorRange(const Impl::CudaTeamMember& thread, const iType& count) {
+ThreadVectorRange(const Impl::CudaTeamMember& thread, iType count) {
   return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember >(thread,count);
 }
 
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember >
-ThreadVectorRange(const Impl::CudaTeamMember& thread, const iType& arg_begin, const iType& arg_end) {
+ThreadVectorRange(const Impl::CudaTeamMember& thread, iType arg_begin, iType arg_end) {
   return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember >(thread,arg_begin,arg_end);
 }
 
@@ -667,16 +722,16 @@ parallel_reduce
   )
 {
 #ifdef __CUDA_ARCH__
-
-  reducer.init( reducer.reference() );
+  typename ReducerType::value_type value;
+  reducer.init( value );
 
   for( iType i = loop_boundaries.start + threadIdx.y
      ; i < loop_boundaries.end
      ; i += blockDim.y ) {
-    closure(i,reducer.reference());
+    closure(i,value);
   }
 
-  loop_boundaries.member.team_reduce( reducer );
+  loop_boundaries.member.team_reduce( reducer, value );
 
 #endif
 }
@@ -701,19 +756,88 @@ parallel_reduce
   )
 {
 #ifdef __CUDA_ARCH__
-
-  Kokkos::Sum<ValueType> reducer(result);
+  ValueType val;
+  Kokkos::Sum<ValueType> reducer(val);
 
   reducer.init( reducer.reference() );
 
   for( iType i = loop_boundaries.start + threadIdx.y
      ; i < loop_boundaries.end
      ; i += blockDim.y ) {
-    closure(i,result);
+    closure(i,val);
   }
 
-  loop_boundaries.member.team_reduce( reducer );
+  loop_boundaries.member.team_reduce( reducer , val);
+  result = reducer.reference();
+#endif
+}
+
+template<typename iType, class Closure >
+KOKKOS_INLINE_FUNCTION
+void parallel_for
+  ( const Impl::TeamVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember>&
+      loop_boundaries
+  , const Closure & closure
+  )
+{
+  #ifdef __CUDA_ARCH__
+  for( iType i = loop_boundaries.start + threadIdx.y * blockDim.x + threadIdx.x
+     ; i < loop_boundaries.end
+     ; i += blockDim.y*blockDim.x )
+    closure(i);
+  #endif
+}
+
+template< typename iType, class Closure, class ReducerType >
+KOKKOS_INLINE_FUNCTION
+typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
+parallel_reduce
+  ( const Impl::TeamVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember> &
+      loop_boundaries
+  , const Closure & closure
+  , const ReducerType & reducer
+  )
+{
+#ifdef __CUDA_ARCH__
+  typename ReducerType::value_type value;
+  reducer.init( value );
+
+  for( iType i = loop_boundaries.start + threadIdx.y * blockDim.x + threadIdx.x
+     ; i < loop_boundaries.end
+     ; i += blockDim.y * blockDim.x ) {
+    closure(i,value);
+  }
+
+  loop_boundaries.member.vector_reduce( reducer, value );
+  loop_boundaries.member.team_reduce( reducer, value );
+#endif
+}
+
+template< typename iType, class Closure, typename ValueType >
+KOKKOS_INLINE_FUNCTION
+typename std::enable_if< ! Kokkos::is_reducer< ValueType >::value >::type
+parallel_reduce
+  ( const Impl::TeamVectorRangeBoundariesStruct<iType,Impl::CudaTeamMember> &
+      loop_boundaries
+  , const Closure & closure
+  , ValueType & result
+  )
+{
+#ifdef __CUDA_ARCH__
+  ValueType val;
+  Kokkos::Sum<ValueType> reducer(val);
 
+  reducer.init( reducer.reference() );
+
+  for( iType i = loop_boundaries.start + threadIdx.y * blockDim.x + threadIdx.x
+     ; i < loop_boundaries.end
+     ; i += blockDim.y * blockDim.x ) {
+    closure(i,val);
+  }
+
+  loop_boundaries.member.vector_reduce( reducer );
+  loop_boundaries.member.team_reduce( reducer );
+  result = reducer.reference();
 #endif
 }
 
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
index af2aff8b35cc46834bb08100162ec6f3938a0e43..2fe9d8ccf7543f160f935bb6797b7dceb4944de4 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
@@ -241,7 +241,7 @@ class ViewDataHandle< Traits ,
       sizeof(typename Traits::const_value_type) == 16 )
     &&
     // Random access trait
-    ( Traits::memory_traits::RandomAccess != 0 )
+    ( Traits::memory_traits::is_random_access != 0 )
   )>::type >
 {
 public:
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_WorkGraphPolicy.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_WorkGraphPolicy.hpp
index 94e293d7c7b1658bf13358edab19ec536243acf8..9c0ac470c84887c831009432bf9818629787e64c 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_WorkGraphPolicy.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_WorkGraphPolicy.hpp
@@ -102,9 +102,8 @@ public:
     const dim3 grid( Kokkos::Impl::cuda_internal_multiprocessor_count() , 1 , 1 );
     const dim3 block( 1 , Kokkos::Impl::CudaTraits::WarpSize , warps_per_block );
     const int shared = 0 ;
-    const cudaStream_t stream = 0 ;
 
-    Kokkos::Impl::CudaParallelLaunch<Self>(*this, grid, block, shared, stream);
+    Kokkos::Impl::CudaParallelLaunch<Self>(*this, grid, block, shared, Cuda().impl_internal_space_instance() , false );
   }
 
   inline
diff --git a/lib/kokkos/core/src/HPX/Kokkos_HPX.cpp b/lib/kokkos/core/src/HPX/Kokkos_HPX.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..da9783467ce34899cc6e7ec2dd0be036ef216f30
--- /dev/null
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX.cpp
@@ -0,0 +1,152 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+
+#include <Kokkos_Macros.hpp>
+
+#ifdef KOKKOS_ENABLE_HPX
+#include <Kokkos_HPX.hpp>
+
+#include <hpx/util/yield_while.hpp>
+
+namespace Kokkos {
+namespace Experimental {
+
+bool HPX::m_hpx_initialized = false;
+Kokkos::Impl::thread_buffer HPX::m_buffer;
+#if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+hpx::future<void> HPX::m_future = hpx::make_ready_future<void>();
+#endif
+
+int HPX::concurrency() {
+  hpx::runtime *rt = hpx::get_runtime_ptr();
+  if (rt == nullptr) {
+    return hpx::threads::hardware_concurrency();
+  } else {
+    if (hpx::threads::get_self_ptr() == nullptr) {
+      return hpx::resource::get_thread_pool(0).get_os_thread_count();
+    } else {
+      return hpx::this_thread::get_pool()->get_os_thread_count();
+    }
+  }
+}
+
+void HPX::impl_initialize(int thread_count) {
+  hpx::runtime *rt = hpx::get_runtime_ptr();
+  if (rt == nullptr) {
+    std::vector<std::string> config = {
+        "hpx.os_threads=" + std::to_string(thread_count),
+#ifdef KOKKOS_DEBUG
+        "--hpx:attach-debugger=exception",
+#endif
+    };
+    int argc_hpx = 1;
+    char name[] = "kokkos_hpx";
+    char *argv_hpx[] = {name, nullptr};
+    hpx::start(nullptr, argc_hpx, argv_hpx, config);
+
+    // NOTE: Wait for runtime to start. hpx::start returns as soon as
+    // possible, meaning some operations are not allowed immediately
+    // after hpx::start. Notably, hpx::stop needs state_running. This
+    // needs to be fixed in HPX itself.
+
+    // Get runtime pointer again after it has been started.
+    rt = hpx::get_runtime_ptr();
+    hpx::util::yield_while(
+        [rt]() { return rt->get_state() < hpx::state_running; });
+
+    m_hpx_initialized = true;
+  }
+}
+
+void HPX::impl_initialize() {
+  hpx::runtime *rt = hpx::get_runtime_ptr();
+  if (rt == nullptr) {
+    std::vector<std::string> config = {
+#ifdef KOKKOS_DEBUG
+        "--hpx:attach-debugger=exception",
+#endif
+    };
+    int argc_hpx = 1;
+    char name[] = "kokkos_hpx";
+    char *argv_hpx[] = {name, nullptr};
+    hpx::start(nullptr, argc_hpx, argv_hpx, config);
+
+    // NOTE: Wait for runtime to start. hpx::start returns as soon as
+    // possible, meaning some operations are not allowed immediately
+    // after hpx::start. Notably, hpx::stop needs state_running. This
+    // needs to be fixed in HPX itself.
+
+    // Get runtime pointer again after it has been started.
+    rt = hpx::get_runtime_ptr();
+    hpx::util::yield_while(
+        [rt]() { return rt->get_state() < hpx::state_running; });
+
+    m_hpx_initialized = true;
+  }
+}
+
+bool HPX::impl_is_initialized() noexcept {
+  hpx::runtime *rt = hpx::get_runtime_ptr();
+  return rt != nullptr;
+}
+
+void HPX::impl_finalize() {
+  if (m_hpx_initialized) {
+    hpx::runtime *rt = hpx::get_runtime_ptr();
+    if (rt != nullptr) {
+      hpx::apply([]() { hpx::finalize(); });
+      hpx::stop();
+    } else {
+      Kokkos::abort("Kokkos::Experimental::HPX::impl_finalize: Kokkos started "
+                    "HPX but something else already stopped HPX\n");
+    }
+  }
+}
+
+} // namespace Experimental
+} // namespace Kokkos
+
+#else
+void KOKKOS_CORE_SRC_IMPL_HPX_PREVENT_LINK_ERROR() {}
+#endif //#ifdef KOKKOS_ENABLE_HPX
diff --git a/lib/kokkos/core/src/impl/Kokkos_StaticAssert.hpp b/lib/kokkos/core/src/HPX/Kokkos_HPX_Task.cpp
similarity index 76%
rename from lib/kokkos/core/src/impl/Kokkos_StaticAssert.hpp
rename to lib/kokkos/core/src/HPX/Kokkos_HPX_Task.cpp
index d001e0a88c56c8de3e970c096d3ee0604d897b75..df7c40368538194d5acfa77c0ca8dc42c9058735 100644
--- a/lib/kokkos/core/src/impl/Kokkos_StaticAssert.hpp
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX_Task.cpp
@@ -41,38 +41,25 @@
 //@HEADER
 */
 
-#ifndef KOKKOS_STATICASSERT_HPP
-#define KOKKOS_STATICASSERT_HPP
+#include <Kokkos_Macros.hpp>
+#if defined(KOKKOS_ENABLE_HPX) && defined(KOKKOS_ENABLE_TASKDAG)
 
-namespace Kokkos {
-namespace Impl {
-
-template < bool , class T = void >
-struct StaticAssert ;
-
-template< class T >
-struct StaticAssert< true , T > {
-  typedef T type ;
-  static const bool value = true ;
-};
+#include <Kokkos_Core.hpp>
 
-template < class A , class B >
-struct StaticAssertSame ;
+#include <impl/Kokkos_TaskQueue_impl.hpp>
 
-template < class A >
-struct StaticAssertSame<A,A> { typedef A type ; };
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
 
-template < class A , class B >
-struct StaticAssertAssignable ;
-
-template < class A >
-struct StaticAssertAssignable<A,A> { typedef A type ; };
+namespace Kokkos {
+namespace Impl {
 
-template < class A >
-struct StaticAssertAssignable< const A , A > { typedef const A type ; };
+template class TaskQueue<Kokkos::Experimental::HPX,
+                         Kokkos::Experimental::HPX::memory_space>;
 
 } // namespace Impl
 } // namespace Kokkos
 
-#endif /* KOKKOS_STATICASSERT_HPP */
-
+#else
+void KOKKOS_CORE_SRC_IMPL_HPX_TASK_PREVENT_LINK_ERROR() {}
+#endif // #if defined( KOKKOS_ENABLE_HPX ) && defined( KOKKOS_ENABLE_TASKDAG )
diff --git a/lib/kokkos/core/src/HPX/Kokkos_HPX_Task.hpp b/lib/kokkos/core/src/HPX/Kokkos_HPX_Task.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..c3a14efee6554ccbe0a8f13c53340f496b30468d
--- /dev/null
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX_Task.hpp
@@ -0,0 +1,298 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_HPX_TASK_HPP
+#define KOKKOS_HPX_TASK_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined(KOKKOS_ENABLE_HPX) && defined(KOKKOS_ENABLE_TASKDAG)
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+
+#include <Kokkos_HPX.hpp>
+
+#include <hpx/apply.hpp>
+#include <hpx/lcos/local/counting_semaphore.hpp>
+
+#include <type_traits>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template <class QueueType>
+class TaskQueueSpecialization<
+    SimpleTaskScheduler<Kokkos::Experimental::HPX, QueueType>> {
+public:
+  using execution_space = Kokkos::Experimental::HPX;
+  using scheduler_type =
+      SimpleTaskScheduler<Kokkos::Experimental::HPX, QueueType>;
+  using member_type =
+      TaskTeamMemberAdapter<Kokkos::Impl::HPXTeamMember, scheduler_type>;
+  using memory_space = Kokkos::HostSpace;
+
+  static void execute(scheduler_type const &scheduler) {
+    // NOTE: We create an instance so that we can use dispatch_execute_task.
+    // This is not necessarily the most efficient, but can be improved later.
+    TaskQueueSpecialization<scheduler_type> task_queue;
+    task_queue.scheduler = &scheduler;
+    Kokkos::Impl::dispatch_execute_task(&task_queue);
+    Kokkos::Experimental::HPX().fence();
+  }
+
+  // Must provide task queue execution function
+  void execute_task() const {
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+    using task_base_type = typename scheduler_type::task_base_type;
+
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, 512);
+
+    auto &queue = scheduler->queue();
+
+    counting_semaphore sem(0);
+
+    for (int thread = 0; thread < num_worker_threads; ++thread) {
+      apply([this, &sem, &queue, &buffer, num_worker_threads, thread]() {
+        // NOTE: This implementation has been simplified based on the
+        // assumption that team_size = 1. The HPX backend currently only
+        // supports a team size of 1.
+        std::size_t t = Kokkos::Experimental::HPX::impl_hardware_thread_id();
+
+        buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id());
+        HPXTeamMember member(TeamPolicyInternal<Kokkos::Experimental::HPX>(
+                                 Kokkos::Experimental::HPX(), num_worker_threads, 1),
+                             0, t, buffer.get(t), 512);
+
+        member_type single_exec(*scheduler, member);
+        member_type &team_exec = single_exec;
+
+        auto &team_scheduler = team_exec.scheduler();
+        auto current_task = OptionalRef<task_base_type>(nullptr);
+
+        while (!queue.is_done()) {
+          current_task =
+              queue.pop_ready_task(team_scheduler.team_scheduler_info());
+
+          if (current_task) {
+            KOKKOS_ASSERT(current_task->is_single_runnable() ||
+                          current_task->is_team_runnable());
+            current_task->as_runnable_task().run(single_exec);
+            queue.complete((*std::move(current_task)).as_runnable_task(),
+                           team_scheduler.team_scheduler_info());
+          }
+        }
+
+        sem.signal(1);
+      });
+    }
+
+    sem.wait(num_worker_threads);
+  }
+
+  static uint32_t get_max_team_count(execution_space const &espace) {
+    return static_cast<uint32_t>(espace.concurrency());
+  }
+
+  template <typename TaskType>
+  static void get_function_pointer(typename TaskType::function_type &ptr,
+                                   typename TaskType::destroy_type &dtor) {
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
+
+private:
+  const scheduler_type *scheduler;
+};
+
+template <class Scheduler>
+class TaskQueueSpecializationConstrained<
+    Scheduler, typename std::enable_if<
+                   std::is_same<typename Scheduler::execution_space,
+                                Kokkos::Experimental::HPX>::value>::type> {
+public:
+  using execution_space = Kokkos::Experimental::HPX;
+  using scheduler_type = Scheduler;
+  using member_type =
+      TaskTeamMemberAdapter<Kokkos::Impl::HPXTeamMember, scheduler_type>;
+  using memory_space = Kokkos::HostSpace;
+
+  static void
+  iff_single_thread_recursive_execute(scheduler_type const &scheduler) {
+    using task_base_type = typename scheduler_type::task_base;
+    using queue_type = typename scheduler_type::queue_type;
+
+    if (1 == Kokkos::Experimental::HPX::concurrency()) {
+      task_base_type *const end = (task_base_type *)task_base_type::EndTag;
+      task_base_type *task = end;
+
+      HPXTeamMember member(TeamPolicyInternal<Kokkos::Experimental::HPX>(
+                               Kokkos::Experimental::HPX(), 1, 1),
+                           0, 0, nullptr, 0);
+      member_type single_exec(scheduler, member);
+
+      do {
+        task = end;
+
+        // Loop by priority and then type
+        for (int i = 0; i < queue_type::NumQueue && end == task; ++i) {
+          for (int j = 0; j < 2 && end == task; ++j) {
+            task =
+                queue_type::pop_ready_task(&scheduler.m_queue->m_ready[i][j]);
+          }
+        }
+
+        if (end == task)
+          break;
+
+        (*task->m_apply)(task, &single_exec);
+
+        scheduler.m_queue->complete(task);
+
+      } while (true);
+    }
+  }
+
+  static void execute(scheduler_type const &scheduler) {
+    // NOTE: We create an instance so that we can use dispatch_execute_task.
+    // This is not necessarily the most efficient, but can be improved later.
+    TaskQueueSpecializationConstrained<scheduler_type> task_queue;
+    task_queue.scheduler = &scheduler;
+    Kokkos::Impl::dispatch_execute_task(&task_queue);
+    Kokkos::Experimental::HPX().fence();
+  }
+
+  // Must provide task queue execution function
+  void execute_task() const {
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+    using task_base_type = typename scheduler_type::task_base;
+    using queue_type = typename scheduler_type::queue_type;
+
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+    static task_base_type *const end = (task_base_type *)task_base_type::EndTag;
+    constexpr task_base_type *no_more_tasks_sentinel = nullptr;
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, 512);
+
+    auto &queue = scheduler->queue();
+    queue.initialize_team_queues(num_worker_threads);
+
+    counting_semaphore sem(0);
+
+    for (int thread = 0; thread < num_worker_threads; ++thread) {
+      apply([this, &sem, &buffer, num_worker_threads, thread]() {
+        // NOTE: This implementation has been simplified based on the assumption
+        // that team_size = 1. The HPX backend currently only supports a team
+        // size of 1.
+        std::size_t t = Kokkos::Experimental::HPX::impl_hardware_thread_id();
+
+        buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id());
+        HPXTeamMember member(
+            TeamPolicyInternal<Kokkos::Experimental::HPX>(
+                Kokkos::Experimental::HPX(), num_worker_threads, 1),
+            0, t, buffer.get(t), 512);
+
+        member_type single_exec(*scheduler, member);
+        member_type &team_exec = single_exec;
+
+        auto &team_queue = team_exec.scheduler().queue();
+        task_base_type *task = no_more_tasks_sentinel;
+
+        do {
+          if (task != no_more_tasks_sentinel && task != end) {
+            team_queue.complete(task);
+          }
+
+          if (*((volatile int *)&team_queue.m_ready_count) > 0) {
+            task = end;
+            for (int i = 0; i < queue_type::NumQueue && end == task; ++i) {
+              for (int j = 0; j < 2 && end == task; ++j) {
+                task = queue_type::pop_ready_task(&team_queue.m_ready[i][j]);
+              }
+            }
+          } else {
+            task = team_queue.attempt_to_steal_task();
+          }
+
+          if (task != no_more_tasks_sentinel && task != end) {
+            (*task->m_apply)(task, &single_exec);
+          }
+        } while (task != no_more_tasks_sentinel);
+
+        sem.signal(1);
+      });
+    }
+
+    sem.wait(num_worker_threads);
+  }
+
+  template <typename TaskType>
+  static void get_function_pointer(typename TaskType::function_type &ptr,
+                                   typename TaskType::destroy_type &dtor) {
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
+
+private:
+  const scheduler_type *scheduler;
+};
+
+extern template class TaskQueue<
+    Kokkos::Experimental::HPX,
+    typename Kokkos::Experimental::HPX::memory_space>;
+
+} // namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_HPX_TASK_HPP */
diff --git a/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIAvail.hpp b/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIAvail.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..bbc1b33bf97cd153a13537c558460c12cd9eed45
--- /dev/null
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIAvail.hpp
@@ -0,0 +1,57 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_HPX_VIEWETIAVAIL_HPP
+#define KOKKOS_HPX_VIEWETIAVAIL_HPP
+
+namespace Kokkos {
+namespace Impl {
+#define KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE Kokkos::Experimental::HPX
+
+#include<eti/common/Kokkos_ViewFillCopyETIAvail_Macros.hpp>
+
+#undef KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE
+}
+}
+#endif
+
diff --git a/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIDecl.hpp b/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIDecl.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..aa1c2f15185ab653a39b14e994f57a903227e809
--- /dev/null
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX_ViewCopyETIDecl.hpp
@@ -0,0 +1,57 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_HPX_VIEWETIDECL_HPP
+#define KOKKOS_HPX_VIEWETIDECL_HPP
+
+namespace Kokkos {
+namespace Impl {
+#define KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE Kokkos::Experimental::HPX
+
+#include<eti/common/Kokkos_ViewFillCopyETIDecl_Macros.hpp>
+
+#undef KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE
+}
+}
+#endif
+
diff --git a/lib/kokkos/core/src/HPX/Kokkos_HPX_WorkGraphPolicy.hpp b/lib/kokkos/core/src/HPX/Kokkos_HPX_WorkGraphPolicy.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..4dd28dd994ca6884515b8af7a16cee622a489b89
--- /dev/null
+++ b/lib/kokkos/core/src/HPX/Kokkos_HPX_WorkGraphPolicy.hpp
@@ -0,0 +1,116 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_HPX_WORKGRAPHPOLICY_HPP
+#define KOKKOS_HPX_WORKGRAPHPOLICY_HPP
+
+#include <hpx/apply.hpp>
+#include <hpx/lcos/local/counting_semaphore.hpp>
+
+namespace Kokkos {
+namespace Impl {
+
+template <class FunctorType, class... Traits>
+class ParallelFor<FunctorType, Kokkos::WorkGraphPolicy<Traits...>,
+                  Kokkos::Experimental::HPX> {
+private:
+  using Policy = Kokkos::WorkGraphPolicy<Traits...>;
+  using WorkTag = typename Policy::work_tag;
+
+  Policy m_policy;
+  FunctorType m_functor;
+
+  template <class TagType>
+  typename std::enable_if<std::is_same<TagType, void>::value>::type
+  execute_functor(const std::int32_t w) const noexcept {
+    m_functor(w);
+  }
+
+  template <class TagType>
+  typename std::enable_if<!std::is_same<TagType, void>::value>::type
+  execute_functor(const std::int32_t w) const noexcept {
+    const TagType t{};
+    m_functor(t, w);
+  }
+
+public:
+  void execute() const {
+    dispatch_execute_task(this);
+    Kokkos::Experimental::HPX().fence();
+  }
+
+  void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+
+    for (int thread = 0; thread < num_worker_threads; ++thread) {
+      apply([this, &sem]() {
+        std::int32_t w = m_policy.pop_work();
+        while (w != Policy::COMPLETED_TOKEN) {
+          if (w != Policy::END_TOKEN) {
+            execute_functor<WorkTag>(w);
+            m_policy.completed_work(w);
+          }
+
+          w = m_policy.pop_work();
+        }
+
+        sem.signal(1);
+      });
+    }
+
+    sem.wait(num_worker_threads);
+  }
+
+  inline ParallelFor(const FunctorType &arg_functor, const Policy &arg_policy)
+      : m_policy(arg_policy), m_functor(arg_functor) {}
+};
+
+} // namespace Impl
+} // namespace Kokkos
+
+#endif /* #define KOKKOS_HPX_WORKGRAPHPOLICY_HPP */
diff --git a/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp b/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
index fb0d6cde8424979efe871c1e35bb457eec5b04fa..1972aa485bd3242857486fd2bc8fc2ab4fbd1d1a 100644
--- a/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
+++ b/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
@@ -125,6 +125,8 @@ struct MDRangePolicy
   using traits = Kokkos::Impl::PolicyTraits<Properties ...>;
   using range_policy = RangePolicy<Properties...>;
 
+  typename traits::execution_space m_space;
+
   using impl_range_policy = RangePolicy< typename traits::execution_space
                                        , typename traits::schedule_type
                                        , typename traits::index_type
@@ -132,6 +134,9 @@ struct MDRangePolicy
 
   typedef MDRangePolicy execution_policy; // needed for is_execution_space interrogation
 
+  template<class ... OtherProperties>
+  friend struct MDRangePolicy;
+
   static_assert( !std::is_same<typename traits::iteration_pattern,void>::value
                , "Kokkos Error: MD iteration pattern not defined" );
 
@@ -192,13 +197,54 @@ struct MDRangePolicy
   static constexpr int Right = static_cast<int>( Iterate::Right );
   static constexpr int Left  = static_cast<int>( Iterate::Left );
 
+  KOKKOS_INLINE_FUNCTION const typename traits::execution_space & space() const { return m_space ; }
+  template < typename LT , typename UT , typename TT = array_index_type >
+  MDRangePolicy(std::initializer_list<LT> const& lower, std::initializer_list<UT> const& upper, std::initializer_list<TT> const& tile = {} )
+    : m_space() {
+    init(lower, upper, tile);
+  }
+
+  template < typename LT , typename UT , typename TT = array_index_type >
+  MDRangePolicy(const typename traits::execution_space & work_space,
+    std::initializer_list<LT> const& lower, std::initializer_list<UT> const& upper, std::initializer_list<TT> const& tile = {} )
+    : m_space( work_space ) {
+    init(lower, upper, tile);
+  }
+
   MDRangePolicy( point_type const& lower, point_type const& upper, tile_type const& tile = tile_type{} )
-    : m_lower(lower)
+    : m_space()
+    , m_lower(lower)
     , m_upper(upper)
     , m_tile(tile)
     , m_num_tiles(1)
-    , m_prod_tile_dims(1)
-  {
+    , m_prod_tile_dims(1) {
+    init();
+  }
+
+  MDRangePolicy( const typename traits::execution_space & work_space,
+    point_type const& lower, point_type const& upper, tile_type const& tile = tile_type{} )
+    : m_space( work_space )
+    , m_lower(lower)
+    , m_upper(upper)
+    , m_tile(tile)
+    , m_num_tiles(1)
+    , m_prod_tile_dims(1) {
+    init();
+  }
+
+  template<class ... OtherProperties>
+  MDRangePolicy( const MDRangePolicy<OtherProperties...> p ):
+     m_space(p.m_space),
+     m_lower(p.m_lower),
+     m_upper(p.m_upper),
+     m_tile(p.m_tile),
+     m_tile_end(p.m_tile_end),
+     m_num_tiles(p.m_num_tiles),
+     m_prod_tile_dims(p.m_prod_tile_dims) {}
+
+private:
+
+  void init() {
     // Host
     if ( true
        #if defined(KOKKOS_ENABLE_CUDA)
@@ -211,7 +257,7 @@ struct MDRangePolicy
     {
       index_type span;
       for (int i=0; i<rank; ++i) {
-        span = upper[i] - lower[i];
+        span = m_upper[i] - m_lower[i];
         if ( m_tile[i] <= 0 ) {
           if (  ((int)inner_direction == (int)Right && (i < rank-1))
               || ((int)inner_direction == (int)Left && (i > 0)) )
@@ -311,11 +357,9 @@ struct MDRangePolicy
     #endif
   }
 
-
   template < typename LT , typename UT , typename TT = array_index_type >
-  MDRangePolicy( std::initializer_list<LT> const& lower, std::initializer_list<UT> const& upper, std::initializer_list<TT> const& tile = {} )
+  void init( std::initializer_list<LT> const& lower, std::initializer_list<UT> const& upper, std::initializer_list<TT> const& tile = {} )
   {
-
     if(static_cast<int>(m_lower.size()) != rank || static_cast<int>(m_upper.size()) != rank)
       Kokkos::abort("MDRangePolicy: Constructor initializer lists have wrong size");
 
@@ -589,5 +633,26 @@ void md_parallel_reduce( const std::string& str
 } } // namespace Kokkos::Experimental
 #endif
 
+namespace Kokkos {
+namespace Experimental {
+namespace Impl {
+
+template<unsigned long P, class ... Properties>
+struct PolicyPropertyAdaptor<WorkItemProperty::ImplWorkItemProperty<P>,MDRangePolicy<Properties...>> {
+  typedef MDRangePolicy<Properties...> policy_in_t;
+  typedef MDRangePolicy<typename policy_in_t::traits::execution_space,
+                      typename policy_in_t::traits::schedule_type,
+                      typename policy_in_t::traits::work_tag,
+                      typename policy_in_t::traits::index_type,
+                      typename policy_in_t::traits::iteration_pattern,
+                      typename policy_in_t::traits::launch_bounds,
+                      WorkItemProperty::ImplWorkItemProperty<P>> policy_out_t;
+};
+
+}
+}
+}
+
+
 #endif //KOKKOS_CORE_EXP_MD_RANGE_POLICY_HPP
 
diff --git a/lib/kokkos/core/src/Kokkos_Atomic.hpp b/lib/kokkos/core/src/Kokkos_Atomic.hpp
index cf0f25969dc4778f4909aab35f66557d4721e692..c2268bd35f71b48131492e118f34910a323bd9b3 100644
--- a/lib/kokkos/core/src/Kokkos_Atomic.hpp
+++ b/lib/kokkos/core/src/Kokkos_Atomic.hpp
@@ -90,6 +90,7 @@
 #if ! defined( KOKKOS_ENABLE_GNU_ATOMICS ) && \
     ! defined( KOKKOS_ENABLE_INTEL_ATOMICS ) && \
     ! defined( KOKKOS_ENABLE_OPENMP_ATOMICS ) && \
+    ! defined( KOKKOS_ENABLE_STD_ATOMICS ) && \
     ! defined( KOKKOS_ENABLE_SERIAL_ATOMICS )
 
 // Compiling for non-Cuda atomic implementation has not been pre-selected.
@@ -168,6 +169,12 @@ const char * atomic_query_version()
 
 } // namespace Kokkos
 
+//----------------------------------------------------------------------------
+// Atomic Memory Orders
+//
+// Implements Strongly-typed analogs of C++ standard memory orders
+#include "impl/Kokkos_Atomic_Memory_Order.hpp"
+
 #if defined( KOKKOS_ENABLE_ROCM )
 namespace Kokkos {
 namespace Impl {
@@ -287,6 +294,14 @@ void unlock_address_rocm_space(void* ptr);
 #ifndef _WIN32
 #include "impl/Kokkos_Atomic_Generic.hpp"
 #endif
+
+//----------------------------------------------------------------------------
+// Provide atomic loads and stores with memory order semantics
+
+#include "impl/Kokkos_Atomic_Load.hpp"
+#include "impl/Kokkos_Atomic_Store.hpp"
+
+
 //----------------------------------------------------------------------------
 // This atomic-style macro should be an inlined function, not a macro
 
diff --git a/lib/kokkos/core/src/Kokkos_Complex.hpp b/lib/kokkos/core/src/Kokkos_Complex.hpp
index 08cbba3b31f4a3b1214b9b84418df5d21cb4828f..a3ada5d55ea1a04a0d0512873379767ef567f408 100644
--- a/lib/kokkos/core/src/Kokkos_Complex.hpp
+++ b/lib/kokkos/core/src/Kokkos_Complex.hpp
@@ -631,8 +631,10 @@ RealType real (const complex<RealType>& x) {
 template<class RealType>
 KOKKOS_INLINE_FUNCTION
 RealType abs (const complex<RealType>& x) {
-  // FIXME (mfh 31 Oct 2014) Scale to avoid unwarranted overflow.
-  return std::sqrt (real (x) * real (x) + imag (x) * imag (x));
+#ifndef __CUDA_ARCH__
+  using std::hypot;
+#endif
+  return hypot(x.real(),x.imag());
 }
 
 //! Power of a complex number
diff --git a/lib/kokkos/core/src/Kokkos_Concepts.hpp b/lib/kokkos/core/src/Kokkos_Concepts.hpp
index 117469b0a25cd35b38761791a42b5650530f8217..98ae141de414833e07bdc1128c721f446877f2b5 100644
--- a/lib/kokkos/core/src/Kokkos_Concepts.hpp
+++ b/lib/kokkos/core/src/Kokkos_Concepts.hpp
@@ -79,6 +79,45 @@ struct IndexType
   using type = T;
 };
 
+namespace Experimental {
+  struct WorkItemProperty {
+    template<unsigned long Property>
+    struct ImplWorkItemProperty {
+      static const unsigned value = Property;
+      using work_item_property = ImplWorkItemProperty<Property>;
+    };
+
+    constexpr static const ImplWorkItemProperty<0> None = ImplWorkItemProperty<0>();
+    constexpr static const ImplWorkItemProperty<1> HintLightWeight = ImplWorkItemProperty<1>();
+    constexpr static const ImplWorkItemProperty<2> HintHeavyWeight = ImplWorkItemProperty<2>();
+    constexpr static const ImplWorkItemProperty<4> HintRegular = ImplWorkItemProperty<4>();
+    constexpr static const ImplWorkItemProperty<8> HintIrregular = ImplWorkItemProperty<8>();
+    typedef ImplWorkItemProperty<0> None_t;
+    typedef ImplWorkItemProperty<1> HintLightWeight_t;
+    typedef ImplWorkItemProperty<2> HintHeavyWeight_t;
+    typedef ImplWorkItemProperty<4> HintRegular_t;
+    typedef ImplWorkItemProperty<8> HintIrregular_t;
+  };
+
+template<unsigned long pv1, unsigned long pv2>
+inline constexpr WorkItemProperty::ImplWorkItemProperty<pv1|pv2> operator |
+  (WorkItemProperty::ImplWorkItemProperty<pv1>, WorkItemProperty::ImplWorkItemProperty<pv2>) {
+  return WorkItemProperty::ImplWorkItemProperty<pv1|pv2>();
+}
+
+template<unsigned long pv1, unsigned long pv2>
+inline constexpr WorkItemProperty::ImplWorkItemProperty<pv1&pv2> operator &
+  (WorkItemProperty::ImplWorkItemProperty<pv1>, WorkItemProperty::ImplWorkItemProperty<pv2>) {
+  return WorkItemProperty::ImplWorkItemProperty<pv1&pv2>();
+}
+
+template<unsigned long pv1, unsigned long pv2>
+inline constexpr bool operator == (WorkItemProperty::ImplWorkItemProperty<pv1>, WorkItemProperty::ImplWorkItemProperty<pv2>) {
+  return pv1 ==  pv2;
+}
+
+}
+
 /**\brief Specify Launch Bounds for CUDA execution.
  *
  *  If no launch bounds specified then do not set launch bounds.
@@ -105,9 +144,13 @@ namespace Kokkos {
   template< typename T > struct is_ ## CONCEPT { \
   private: \
     template< typename , typename = std::true_type > struct have : std::false_type {}; \
-    template< typename U > struct have<U,typename std::is_same< \
-     typename std::remove_cv<U>::type, \
-     typename std::remove_cv<typename U:: CONCEPT>::type \
+    template< typename U > struct have<U,typename std::is_base_of< \
+     typename std::remove_cv<typename U:: CONCEPT>::type, \
+     typename std::remove_cv<U>::type \
+   >::type> : std::true_type {}; \
+    template< typename U > struct have<U,typename std::is_base_of< \
+     typename std::remove_cv<typename U:: CONCEPT ## _type>::type, \
+     typename std::remove_cv<U>::type \
    >::type> : std::true_type {}; \
   public: \
     enum { value = is_ ## CONCEPT::template have<T>::value }; \
@@ -121,6 +164,9 @@ KOKKOS_IMPL_IS_CONCEPT( execution_space )
 KOKKOS_IMPL_IS_CONCEPT( execution_policy )
 KOKKOS_IMPL_IS_CONCEPT( array_layout )
 KOKKOS_IMPL_IS_CONCEPT( reducer )
+namespace Experimental {
+KOKKOS_IMPL_IS_CONCEPT( work_item_property )
+}
 
 namespace Impl {
 
@@ -138,6 +184,8 @@ KOKKOS_IMPL_IS_CONCEPT( iteration_pattern )
 KOKKOS_IMPL_IS_CONCEPT( schedule_type )
 KOKKOS_IMPL_IS_CONCEPT( index_type )
 KOKKOS_IMPL_IS_CONCEPT( launch_bounds )
+KOKKOS_IMPL_IS_CONCEPT( thread_team_member )
+KOKKOS_IMPL_IS_CONCEPT( host_thread_team_member )
 
 }
 
diff --git a/lib/kokkos/core/src/Kokkos_CopyViews.hpp b/lib/kokkos/core/src/Kokkos_CopyViews.hpp
index 31605c9d39c4304b0a0ae8287be85f03e1164de7..f919fdb75518f8dc7cd57ab28b34a0a7926a2b46 100644
--- a/lib/kokkos/core/src/Kokkos_CopyViews.hpp
+++ b/lib/kokkos/core/src/Kokkos_CopyViews.hpp
@@ -186,9 +186,9 @@ struct ViewFill<ViewType,Layout,ExecSpace,1,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::RangePolicy<ExecSpace,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-1D",policy_type(0,a.extent(0)),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -206,10 +206,10 @@ struct ViewFill<ViewType,Layout,ExecSpace,2,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-2D",
        policy_type({0,0},{a.extent(0),a.extent(1)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -227,10 +227,10 @@ struct ViewFill<ViewType,Layout,ExecSpace,3,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-3D",
        policy_type({0,0,0},{a.extent(0),a.extent(1),a.extent(2)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -248,10 +248,10 @@ struct ViewFill<ViewType,Layout,ExecSpace,4,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-4D",
        policy_type({0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),a.extent(3)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -269,10 +269,10 @@ struct ViewFill<ViewType,Layout,ExecSpace,5,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-5D",
        policy_type({0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),a.extent(3),a.extent(4)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -290,10 +290,10 @@ struct ViewFill<ViewType,Layout,ExecSpace,6,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-6D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),a.extent(3),a.extent(4),a.extent(5)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -311,11 +311,11 @@ struct ViewFill<ViewType,Layout,ExecSpace,7,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-7D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),a.extent(3),
                                   a.extent(5),a.extent(6)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -335,11 +335,11 @@ struct ViewFill<ViewType,Layout,ExecSpace,8,iType,KOKKOS_IMPL_COMPILING_LIBRARY>
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewFill(const ViewType& a_, typename ViewType::const_value_type& val_):a(a_),val(val_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewFill-8D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(3),
                                   a.extent(5),a.extent(6),a.extent(7)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -437,10 +437,10 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,1,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::RangePolicy<ExecSpace,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-1D",
        policy_type(0,a.extent(0)),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -459,10 +459,10 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,2,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-2D",
        policy_type({0,0},{a.extent(0),a.extent(1)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -482,10 +482,10 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,3,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-3D",
        policy_type({0,0,0},{a.extent(0),a.extent(1),a.extent(2)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -505,11 +505,11 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,4,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-4D",
        policy_type({0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),
                               a.extent(3)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -530,11 +530,11 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,5,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-5D",
        policy_type({0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),
                                 a.extent(3),a.extent(4)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -555,11 +555,11 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,6,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-6D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(2),
                                   a.extent(3),a.extent(4),a.extent(5)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -581,11 +581,11 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,7,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-7D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(3),
                                   a.extent(4),a.extent(5),a.extent(6)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -607,11 +607,11 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,8,iType,KOKKOS_IMPL_COMPILI
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
-    ExecSpace::fence();
+    ExecSpace().fence();
     Kokkos::parallel_for("Kokkos::ViewCopy-8D",
        policy_type({0,0,0,0,0,0},{a.extent(0),a.extent(1),a.extent(3),
                                   a.extent(5),a.extent(6),a.extent(7)}),*this);
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -1538,6 +1538,779 @@ void deep_copy
   }
 }
 
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+namespace Experimental {
+/** \brief  A local deep copy between views of the default specialization, compatible type,
+ *          same non-zero rank.
+ */
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy_contiguous(const TeamType& team, const View<DT,DP...> & dst, const View<ST,SP...> & src) {
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, src.span()), [&] (const int& i) {
+        dst.data()[i] = src.data()[i];
+    });
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy_contiguous(const View<DT,DP...> & dst, const View<ST,SP...> & src) {
+    
+    for(size_t i=0;i<src.span();++i) {
+        dst.data()[i] = src.data()[i];
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 1 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 1
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0);
+
+    team.team_barrier();
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+        dst(i) = src(i);
+    });
+    team.team_barrier();
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 2 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 2
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0 = i%dst.extent(0);
+            int i1 = i/dst.extent(0);
+            dst(i0,i1) = src(i0,i1);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 3 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 3
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+            int i2   = itmp/dst.extent(1);
+            dst(i0,i1,i2) = src(i0,i1,i2);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 4 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 4
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+            int i3   = itmp/dst.extent(2);
+            dst(i0,i1,i2,i3) = src(i0,i1,i2,i3);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 5 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 5
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+            int i4   = itmp/dst.extent(3);
+            dst(i0,i1,i2,i3,i4) = src(i0,i1,i2,i3,i4);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 6 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 6
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4)*dst.extent(5);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+                itmp = itmp/dst.extent(3);
+            int i4   = itmp%dst.extent(4);
+            int i5   = itmp/dst.extent(4);
+            dst(i0,i1,i2,i3,i4,i5) = src(i0,i1,i2,i3,i4,i5);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   const View<ST,SP...> & src,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 7 && 
+                                                                                             unsigned(ViewTraits<ST,SP...>::rank) == 7
+                                                                                           )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4)*dst.extent(5)*dst.extent(6);
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,src);
+        team.team_barrier();
+    } else {
+        team.team_barrier();
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+                itmp = itmp/dst.extent(3);
+            int i4   = itmp%dst.extent(4);
+                itmp = itmp/dst.extent(4);
+            int i5   = itmp%dst.extent(5);
+            int i6   = itmp/dst.extent(5);
+            dst(i0,i1,i2,i3,i4,i5,i6) = src(i0,i1,i2,i3,i4,i5,i6);
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 1 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 1
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0);
+
+    
+    for(size_t i=0;i<N;++i){
+        dst(i) = src(i);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 2 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 2
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                dst(i0,i1) = src(i0,i1);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 3 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 3
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    dst(i0,i1,i2) = src(i0,i1,i2);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 4 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 4
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        dst(i0,i1,i2,i3) = src(i0,i1,i2,i3);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 5 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 5
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            dst(i0,i1,i2,i3,i4) = src(i0,i1,i2,i3,i4);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 6 && 
+                                                                        unsigned(ViewTraits<ST,SP...>::rank) == 6
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            for(size_t i5=0;i5<dst.extent(5);++i5)
+                                dst(i0,i1,i2,i3,i4,i5) = src(i0,i1,i2,i3,i4,i5);
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP , class ST , class ... SP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             const View<ST,SP...> & src,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 7 && 
+                                                                       unsigned(ViewTraits<ST,SP...>::rank) == 7
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() && src.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,src);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            for(size_t i5=0;i5<dst.extent(5);++i5)
+                                for(size_t i6=0;i6<dst.extent(6);++i6)
+                                    dst(i0,i1,i2,i3,i4,i5,i6) = src(i0,i1,i2,i3,i4,i5,i6);
+    }
+}
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+/** \brief  Deep copy a value into a view.  */
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy_contiguous(const TeamType& team, const View<DT,DP...> & dst, typename ViewTraits<DT,DP...>::const_value_type & value) {
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, dst.span()), [&] (const int& i) {
+        dst.data()[i] = value;
+    });
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy_contiguous(const View<DT,DP...> & dst, typename ViewTraits<DT,DP...>::const_value_type & value) {
+    
+    for(size_t i=0;i<dst.span();++i) {
+        dst.data()[i] = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 1 )>::type * = 0 )
+{
+     if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0);
+
+    team.team_barrier();
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+        dst(i) =  value;
+    });
+    team.team_barrier();
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 2 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0 = i%dst.extent(0);
+            int i1 = i/dst.extent(0);
+            dst(i0,i1) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 3 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+            int i2   = itmp/dst.extent(1);
+            dst(i0,i1,i2) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 4 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+            int i3   = itmp/dst.extent(2);
+            dst(i0,i1,i2,i3) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 5 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+            int i4   = itmp/dst.extent(3);
+            dst(i0,i1,i2,i3,i4) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 6 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4)*dst.extent(5);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+                itmp = itmp/dst.extent(3);
+            int i4   = itmp%dst.extent(4);
+            int i5   = itmp/dst.extent(4);
+            dst(i0,i1,i2,i3,i4,i5) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class TeamType, class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const TeamType& team, const View<DT,DP...> & dst, 
+                                                                   typename ViewTraits<DT,DP...>::const_value_type & value,
+                                                                   typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 7 )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0)*dst.extent(1)*dst.extent(2)*dst.extent(3)*dst.extent(4)*dst.extent(5)*dst.extent(6);
+
+    if ( dst.span_is_contiguous() ) {
+        team.team_barrier();
+        local_deep_copy_contiguous(team,dst,value);
+        team.team_barrier();
+    } else {
+        team.team_barrier();    
+        Kokkos::parallel_for(Kokkos::TeamThreadRange(team, N), [&] (const int& i) {
+            int i0   = i%dst.extent(0);
+            int itmp = i/dst.extent(0);
+            int i1   = itmp%dst.extent(1);
+                itmp = itmp/dst.extent(1);
+            int i2   = itmp%dst.extent(2);
+                itmp = itmp/dst.extent(2);
+            int i3   = itmp%dst.extent(3);
+                itmp = itmp/dst.extent(3);
+            int i4   = itmp%dst.extent(4);
+                itmp = itmp/dst.extent(4);
+            int i5   = itmp%dst.extent(5);
+            int i6   = itmp/dst.extent(5);
+            dst(i0,i1,i2,i3,i4,i5,i6) =  value;
+        });
+        team.team_barrier();
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 1
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    const size_t N = dst.extent(0);
+
+    
+    for(size_t i=0;i<N;++i){
+        dst(i) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 2
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                dst(i0,i1) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,  
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 3
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    dst(i0,i1,i2) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 4
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        dst(i0,i1,i2,i3) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 5
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            dst(i0,i1,i2,i3,i4) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 6
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            for(size_t i5=0;i5<dst.extent(5);++i5)
+                                dst(i0,i1,i2,i3,i4,i5) = value;
+    }
+}
+//----------------------------------------------------------------------------
+template< class DT , class ... DP >
+void KOKKOS_INLINE_FUNCTION local_deep_copy (const View<DT,DP...> & dst,
+                                             typename ViewTraits<DT,DP...>::const_value_type & value,
+                                             typename std::enable_if<( unsigned(ViewTraits<DT,DP...>::rank) == 7
+                                                                     )>::type * = 0 )
+{
+    if( dst.data() == nullptr ) {
+        return;
+    }
+
+    if ( dst.span_is_contiguous() ) {
+        local_deep_copy_contiguous(dst,value);
+    } else {
+        
+        for(size_t i0=0;i0<dst.extent(0);++i0)
+            for(size_t i1=0;i1<dst.extent(1);++i1)
+                for(size_t i2=0;i2<dst.extent(2);++i2)
+                    for(size_t i3=0;i3<dst.extent(3);++i3)
+                        for(size_t i4=0;i4<dst.extent(4);++i4)
+                            for(size_t i5=0;i5<dst.extent(5);++i5)
+                                for(size_t i6=0;i6<dst.extent(6);++i6)
+                                    dst(i0,i1,i2,i3,i4,i5,i6) = value;
+    }
+}
+} /* namespace Experimental */
 } /* namespace Kokkos */
 
 //----------------------------------------------------------------------------
@@ -1562,10 +2335,10 @@ void deep_copy
                   typename ViewTraits<DT,DP...>::value_type >::value
     , "deep_copy requires non-const type" );
 
-  ExecSpace::fence();
+  ExecSpace().fence();
   typedef typename View<DT,DP...>::uniform_runtime_nomemspace_type ViewTypeUniform;
   Kokkos::Impl::ViewFill< ViewTypeUniform >( dst , value );
-  ExecSpace::fence();
+  ExecSpace().fence();
 }
 
 /** \brief  Deep copy into a value in Host memory from a view.  */
@@ -2184,6 +2957,25 @@ create_mirror_view_and_copy(const Space& , const Kokkos::View<T,P...> & src
   deep_copy(mirror, src);
   return mirror;
 }
+    
+// Create a mirror view in a new space without initializing (specialization for same space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
+  , Kokkos::Impl::WithoutInitializing_t
+  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  return src;
+}
+    
+// Create a mirror view in a new space without initializing (specialization for different space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
+  , Kokkos::Impl::WithoutInitializing_t
+  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  using Mirror = typename Impl::MirrorViewType<Space,T,P ...>::view_type;
+  return Mirror(Kokkos::ViewAllocateWithoutInitializing(src.label()), src.layout());
+}
 
 } /* namespace Kokkos */
 
diff --git a/lib/kokkos/core/src/Kokkos_Core.hpp b/lib/kokkos/core/src/Kokkos_Core.hpp
index 4d0625ee1b35c38bc92c3e1301ce0f7376d2c695..9fbba0abfa3afb6ea3ed31d51249ad2c8170396d 100644
--- a/lib/kokkos/core/src/Kokkos_Core.hpp
+++ b/lib/kokkos/core/src/Kokkos_Core.hpp
@@ -66,6 +66,10 @@
 #include <Kokkos_Qthreads.hpp>
 #endif
 
+#if defined( KOKKOS_ENABLE_HPX )
+#include <Kokkos_HPX.hpp>
+#endif
+
 #if defined( KOKKOS_ENABLE_THREADS )
 #include <Kokkos_Threads.hpp>
 #endif
@@ -87,6 +91,7 @@
 #include <Kokkos_Atomic.hpp>
 #include <Kokkos_hwloc.hpp>
 #include <Kokkos_Timer.hpp>
+#include <Kokkos_TaskScheduler.hpp>
 
 #include <Kokkos_Complex.hpp>
 
diff --git a/lib/kokkos/core/src/Kokkos_Core_fwd.hpp b/lib/kokkos/core/src/Kokkos_Core_fwd.hpp
index 150865d0f535a430c41dd177885f72983ad3b9ca..55c6a5494ab992bba028d0afc4c67516026cac15 100644
--- a/lib/kokkos/core/src/Kokkos_Core_fwd.hpp
+++ b/lib/kokkos/core/src/Kokkos_Core_fwd.hpp
@@ -100,6 +100,12 @@ class Serial;    ///< Execution space main process on CPU.
 class Qthreads;  ///< Execution space with Qthreads back-end.
 #endif
 
+#if defined( KOKKOS_ENABLE_HPX )
+namespace Experimental {
+class HPX;  ///< Execution space with HPX back-end.
+}
+#endif
+
 #if defined( KOKKOS_ENABLE_THREADS )
 class Threads;   ///< Execution space with pthreads back-end.
 #endif
@@ -156,6 +162,8 @@ namespace Kokkos {
   typedef Threads DefaultExecutionSpace;
 //#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_QTHREADS )
 //  typedef Qthreads DefaultExecutionSpace;
+#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_HPX )
+  typedef Kokkos::Experimental::HPX DefaultExecutionSpace;
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_SERIAL )
   typedef Serial DefaultExecutionSpace;
 #else
@@ -176,6 +184,8 @@ namespace Kokkos {
   typedef Threads DefaultHostExecutionSpace;
 //#elif defined( KOKKOS_ENABLE_QTHREADS )
 //  typedef Qthreads DefaultHostExecutionSpace;
+#elif defined( KOKKOS_ENABLE_HPX )
+  typedef Kokkos::Experimental::HPX DefaultHostExecutionSpace;
 #elif defined( KOKKOS_ENABLE_SERIAL )
   typedef Serial DefaultHostExecutionSpace;
 #else
diff --git a/lib/kokkos/core/src/Kokkos_Crs.hpp b/lib/kokkos/core/src/Kokkos_Crs.hpp
index ccc3944d86fb5f3ab3d59d15aea47682b6269ff0..8412ced9213d6c01dc2b6045446de5c8b8b6ec66 100644
--- a/lib/kokkos/core/src/Kokkos_Crs.hpp
+++ b/lib/kokkos/core/src/Kokkos_Crs.hpp
@@ -187,7 +187,7 @@ class GetCrsTransposeCounts {
     using closure_type = Kokkos::Impl::ParallelFor<self_type, policy_type>;
     const closure_type closure(*this, policy_type(0, index_type(in.entries.size())));
     closure.execute();
-    execution_space::fence();
+    execution_space().fence();
   }
 };
 
@@ -266,7 +266,7 @@ class FillCrsTransposeEntries {
     using closure_type = Kokkos::Impl::ParallelFor<self_type, policy_type>;
     const closure_type closure(*this, policy_type(0, index_type(in.numRows())));
     closure.execute();
-    execution_space::fence();
+    execution_space().fence();
   }
 };
 
diff --git a/lib/kokkos/core/src/Kokkos_Cuda.hpp b/lib/kokkos/core/src/Kokkos_Cuda.hpp
index 726a5749616f8e20a94f8d74daf3358415355aee..4eb8ab4d4bae25e43c217d97812727592da8373f 100644
--- a/lib/kokkos/core/src/Kokkos_Cuda.hpp
+++ b/lib/kokkos/core/src/Kokkos_Cuda.hpp
@@ -52,6 +52,7 @@
 #include <iosfwd>
 #include <vector>
 
+#include <impl/Kokkos_AnalyzePolicy.hpp>
 #include <Kokkos_CudaSpace.hpp>
 
 #include <Kokkos_Parallel.hpp>
@@ -67,6 +68,7 @@
 namespace Kokkos {
 namespace Impl {
 class CudaExec ;
+class CudaInternal ;
 } // namespace Impl
 } // namespace Kokkos
 
@@ -74,6 +76,23 @@ class CudaExec ;
 
 namespace Kokkos {
 
+namespace Impl {
+  namespace Experimental {
+    enum class CudaLaunchMechanism:unsigned{Default=0,ConstantMemory=1,GlobalMemory=2,LocalMemory=4};
+
+    constexpr inline CudaLaunchMechanism operator | (CudaLaunchMechanism p1, CudaLaunchMechanism p2) {
+      return static_cast<CudaLaunchMechanism>(static_cast<unsigned>(p1) |  static_cast<unsigned>(p2));
+    }
+    constexpr inline CudaLaunchMechanism operator & (CudaLaunchMechanism p1, CudaLaunchMechanism p2) {
+      return static_cast<CudaLaunchMechanism>(static_cast<unsigned>(p1) &  static_cast<unsigned>(p2));
+    }
+
+    template<CudaLaunchMechanism l>
+    struct CudaDispatchProperties {
+      CudaLaunchMechanism launch_mechanism = l;
+    };
+  }
+}
 /// \class Cuda
 /// \brief Kokkos Execution Space that uses CUDA to run on GPUs.
 ///
@@ -153,7 +172,13 @@ public:
   /// return asynchronously, before the functor completes.  This
   /// method does not return until all dispatched functors on this
   /// device have completed.
+  static void impl_static_fence();
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   static void fence();
+  #else
+  void fence() const;
+  #endif
 
   /** \brief  Return the maximum amount of concurrency.  */
   static int concurrency();
@@ -165,15 +190,18 @@ public:
   //--------------------------------------------------
   //! \name  Cuda space instances
 
+  KOKKOS_INLINE_FUNCTION
   ~Cuda() {}
+
   Cuda();
-  explicit Cuda( const int instance_id );
 
   Cuda( Cuda && ) = default ;
   Cuda( const Cuda & ) = default ;
   Cuda & operator = ( Cuda && ) = default ;
   Cuda & operator = ( const Cuda & ) = default ;
 
+  Cuda(cudaStream_t stream);
+
   //--------------------------------------------------------------------------
   //! \name Device-specific functions
   //@{
@@ -219,18 +247,18 @@ public:
    */
   static std::vector<unsigned> detect_device_arch();
 
-  cudaStream_t cuda_stream() const { return m_stream ; }
-  int          cuda_device() const { return m_device ; }
+  cudaStream_t cuda_stream() const;
+  int          cuda_device() const;
 
   //@}
   //--------------------------------------------------------------------------
 
   static const char* name();
 
+  inline Impl::CudaInternal* impl_internal_space_instance() const { return m_space_instance; }
 private:
 
-  int          m_device ;
-  cudaStream_t m_stream ;
+  Impl::CudaInternal* m_space_instance;
 };
 
 } // namespace Kokkos
@@ -302,7 +330,8 @@ struct VerifyExecutionCanAccessMemorySpace
 /*--------------------------------------------------------------------------*/
 /*--------------------------------------------------------------------------*/
 
-#include <Cuda/Kokkos_CudaExec.hpp>
+#include <Cuda/Kokkos_Cuda_KernelLaunch.hpp>
+#include <Cuda/Kokkos_Cuda_Instance.hpp>
 #include <Cuda/Kokkos_Cuda_View.hpp>
 #include <Cuda/Kokkos_Cuda_Team.hpp>
 #include <Cuda/Kokkos_Cuda_Parallel.hpp>
diff --git a/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp b/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
index d4693b43c153952b5e7530c3d90f97fde3455d0b..5c85850fda545160e33ed01ed46c7d96baca954f 100644
--- a/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
+++ b/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
@@ -46,12 +46,14 @@
 
 #include <Kokkos_Core_fwd.hpp>
 #include <impl/Kokkos_Traits.hpp>
-#include <impl/Kokkos_StaticAssert.hpp>
 #include <impl/Kokkos_Error.hpp>
 #include <impl/Kokkos_Tags.hpp>
 #include <impl/Kokkos_AnalyzePolicy.hpp>
 #include <Kokkos_Concepts.hpp>
 #include <iostream>
+#if defined(KOKKOS_ENABLE_PROFILING)
+#include <typeinfo>
+#endif // KOKKOS_ENABLE_PROFILING
 
 //----------------------------------------------------------------------------
 
@@ -91,8 +93,9 @@ template<class ... Properties>
 class RangePolicy
   : public Impl::PolicyTraits<Properties ... >
 {
-private:
+public:
   typedef Impl::PolicyTraits<Properties ... > traits;
+private:
 
   typename traits::execution_space m_space ;
   typename traits::index_type  m_begin ;
@@ -100,6 +103,9 @@ private:
   typename traits::index_type  m_granularity ;
   typename traits::index_type  m_granularity_mask ;
 
+  template<class ... OtherProperties>
+  friend class RangePolicy;
+
 public:
   //! Tag this class as an execution policy
   typedef RangePolicy execution_policy;
@@ -118,6 +124,15 @@ public:
   RangePolicy(const RangePolicy&) = default;
   RangePolicy(RangePolicy&&) = default;
 
+  template<class ... OtherProperties>
+  RangePolicy(const RangePolicy<OtherProperties...> p) {
+    m_space = p.m_space;
+    m_begin = p.m_begin;
+    m_end = p.m_end;
+    m_granularity = p.m_granularity;
+    m_granularity_mask = p.m_granularity_mask;
+  }
+
   inline RangePolicy() : m_space(), m_begin(0), m_end(0) {}
 
   /** \brief  Total range */
@@ -523,19 +538,22 @@ class TeamPolicy: public
        typename Impl::PolicyTraits<Properties ... >::execution_space,
        Properties ...> internal_policy;
 
-  typedef Impl::PolicyTraits<Properties ... > traits;
+  template<class ... OtherProperties>
+  friend class TeamPolicy;
 
 public:
+  typedef Impl::PolicyTraits<Properties ... > traits;
+
   typedef TeamPolicy execution_policy;
 
   TeamPolicy& operator = (const TeamPolicy&) = default;
 
   /** \brief  Construct policy with the given instance of the execution space */
-  TeamPolicy( const typename traits::execution_space & , int league_size_request , int team_size_request , int vector_length_request = 1 )
-    : internal_policy(typename traits::execution_space(),league_size_request,team_size_request, vector_length_request) {first_arg = false;}
+  TeamPolicy( const typename traits::execution_space & space_ , int league_size_request , int team_size_request , int vector_length_request = 1 )
+    : internal_policy(space_,league_size_request,team_size_request, vector_length_request) {first_arg = false;}
 
-  TeamPolicy( const typename traits::execution_space & , int league_size_request , const Kokkos::AUTO_t & , int vector_length_request = 1 )
-    : internal_policy(typename traits::execution_space(),league_size_request,Kokkos::AUTO(), vector_length_request) {first_arg = false;}
+  TeamPolicy( const typename traits::execution_space & space_, int league_size_request , const Kokkos::AUTO_t & , int vector_length_request = 1 )
+    : internal_policy(space_,league_size_request,Kokkos::AUTO(), vector_length_request) {first_arg = false;}
 
   /** \brief  Construct policy with the default instance of the execution space */
   TeamPolicy( int league_size_request , int team_size_request , int vector_length_request = 1 )
@@ -618,6 +636,11 @@ public:
   }
 #endif
 
+  template<class ... OtherProperties>
+  TeamPolicy(const TeamPolicy<OtherProperties...> p):internal_policy(p) {
+    first_arg = p.first_arg;
+  }
+
 private:
   bool first_arg;
   TeamPolicy(const internal_policy& p):internal_policy(p) {first_arg = false;}
@@ -754,6 +777,59 @@ public:
     {}
 };
 
+template<typename iType, class TeamMemberType>
+struct TeamVectorRangeBoundariesStruct {
+private:
+
+  KOKKOS_INLINE_FUNCTION static
+  iType ibegin( const iType & arg_begin
+              , const iType & arg_end
+              , const iType & arg_rank
+              , const iType & arg_size
+              )
+    {
+      return arg_begin + ( ( arg_end - arg_begin + arg_size - 1 ) / arg_size ) * arg_rank ;
+    }
+
+  KOKKOS_INLINE_FUNCTION static
+  iType iend( const iType & arg_begin
+            , const iType & arg_end
+            , const iType & arg_rank
+            , const iType & arg_size
+            )
+    {
+      const iType end_ = arg_begin + ( ( arg_end - arg_begin + arg_size - 1 ) / arg_size ) * ( arg_rank + 1 );
+      return end_ < arg_end ? end_ : arg_end ;
+    }
+
+public:
+
+  typedef iType index_type;
+  const iType start;
+  const iType end;
+  enum {increment = 1};
+  const TeamMemberType& thread;
+
+  KOKKOS_INLINE_FUNCTION
+  TeamVectorRangeBoundariesStruct( const TeamMemberType& arg_thread
+                                 , const iType& arg_end
+                                 )
+    : start( ibegin( 0 , arg_end , arg_thread.team_rank() , arg_thread.team_size() ) )
+    , end(   iend(   0 , arg_end , arg_thread.team_rank() , arg_thread.team_size() ) )
+    , thread( arg_thread )
+    {}
+
+  KOKKOS_INLINE_FUNCTION
+  TeamVectorRangeBoundariesStruct( const TeamMemberType& arg_thread
+                                , const iType& arg_begin
+                                , const iType& arg_end
+                                )
+    : start( ibegin( arg_begin , arg_end , arg_thread.team_rank() , arg_thread.team_size() ) )
+    , end(   iend(   arg_begin , arg_end , arg_thread.team_rank() , arg_thread.team_size() ) )
+    , thread( arg_thread )
+    {}
+};
+
 template<typename iType, class TeamMemberType>
 struct ThreadVectorRangeBoundariesStruct {
   typedef iType index_type;
@@ -804,10 +880,10 @@ struct VectorSingleStruct {
  *  This policy is used together with a parallel pattern as a nested layer within a kernel launched
  *  with the TeamPolicy. This variant expects a single count. So the range is (0,count].
  */
-template<typename iType, class TeamMemberType>
-KOKKOS_INLINE_FUNCTION
+template<typename iType, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
 Impl::TeamThreadRangeBoundariesStruct<iType,TeamMemberType>
-TeamThreadRange( const TeamMemberType&, const iType& count );
+TeamThreadRange( const TeamMemberType&, const iType& count ) = delete;
 
 /** \brief  Execution policy for parallel work over a threads within a team.
  *
@@ -815,10 +891,32 @@ TeamThreadRange( const TeamMemberType&, const iType& count );
  *  This policy is used together with a parallel pattern as a nested layer within a kernel launched
  *  with the TeamPolicy. This variant expects a begin and end. So the range is (begin,end].
  */
-template<typename iType1, typename iType2, class TeamMemberType>
-KOKKOS_INLINE_FUNCTION
+template<typename iType1, typename iType2, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
 Impl::TeamThreadRangeBoundariesStruct<typename std::common_type<iType1, iType2>::type, TeamMemberType>
-TeamThreadRange( const TeamMemberType&, const iType1& begin, const iType2& end );
+TeamThreadRange( const TeamMemberType&, const iType1& begin, const iType2& end ) = delete;
+
+/** \brief  Execution policy for parallel work over a threads within a team.
+ *
+ *  The range is split over all threads in a team. The Mapping scheme depends on the architecture.
+ *  This policy is used together with a parallel pattern as a nested layer within a kernel launched
+ *  with the TeamPolicy. This variant expects a single count. So the range is (0,count].
+ */
+template<typename iType, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
+Impl::TeamThreadRangeBoundariesStruct<iType,TeamMemberType>
+TeamVectorRange( const TeamMemberType&, const iType& count ) = delete;
+
+/** \brief  Execution policy for parallel work over a threads within a team.
+ *
+ *  The range is split over all threads in a team. The Mapping scheme depends on the architecture.
+ *  This policy is used together with a parallel pattern as a nested layer within a kernel launched
+ *  with the TeamPolicy. This variant expects a begin and end. So the range is (begin,end].
+ */
+template<typename iType1, typename iType2, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
+Impl::TeamThreadRangeBoundariesStruct<typename std::common_type<iType1, iType2>::type, TeamMemberType>
+TeamVectorRange( const TeamMemberType&, const iType1& begin, const iType2& end ) = delete;
 
 /** \brief  Execution policy for a vector parallel loop.
  *
@@ -826,15 +924,15 @@ TeamThreadRange( const TeamMemberType&, const iType1& begin, const iType2& end )
  *  This policy is used together with a parallel pattern as a nested layer within a kernel launched
  *  with the TeamPolicy. This variant expects a single count. So the range is (0,count].
  */
-template<typename iType, class TeamMemberType>
-KOKKOS_INLINE_FUNCTION
+template<typename iType, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
 Impl::ThreadVectorRangeBoundariesStruct<iType,TeamMemberType>
-ThreadVectorRange( const TeamMemberType&, const iType& count );
+ThreadVectorRange( const TeamMemberType&, const iType& count ) = delete;
 
-template<typename iType, class TeamMemberType>
-KOKKOS_INLINE_FUNCTION
+template<typename iType, class TeamMemberType, class _never_use_this_overload>
+KOKKOS_INLINE_FUNCTION_DELETED
 Impl::ThreadVectorRangeBoundariesStruct<iType,TeamMemberType>
-ThreadVectorRange( const TeamMemberType&, const iType& arg_begin, const iType& arg_end );
+ThreadVectorRange( const TeamMemberType&, const iType& arg_begin, const iType& arg_end ) = delete;
 
 #if defined(KOKKOS_ENABLE_PROFILING)
 namespace Impl {
@@ -877,5 +975,44 @@ struct ParallelConstructName<FunctorType, TagType, false> {
 
 } // namespace Kokkos
 
+namespace Kokkos {
+namespace Experimental {
+
+namespace Impl {
+  template<class Property,class Policy>
+  struct PolicyPropertyAdaptor;
+
+  template<unsigned long P, class ... Properties>
+  struct PolicyPropertyAdaptor<WorkItemProperty::ImplWorkItemProperty<P>,RangePolicy<Properties...>> {
+    typedef RangePolicy<Properties...> policy_in_t;
+    typedef RangePolicy<typename policy_in_t::traits::execution_space,
+                        typename policy_in_t::traits::schedule_type,
+                        typename policy_in_t::traits::work_tag,
+                        typename policy_in_t::traits::index_type,
+                        typename policy_in_t::traits::iteration_pattern,
+                        typename policy_in_t::traits::launch_bounds,
+                        WorkItemProperty::ImplWorkItemProperty<P>> policy_out_t;
+  };
+
+  template<unsigned long P, class ... Properties>
+  struct PolicyPropertyAdaptor<WorkItemProperty::ImplWorkItemProperty<P>,TeamPolicy<Properties...>> {
+    typedef TeamPolicy<Properties...> policy_in_t;
+    typedef TeamPolicy<typename policy_in_t::traits::execution_space,
+                        typename policy_in_t::traits::schedule_type,
+                        typename policy_in_t::traits::work_tag,
+                        typename policy_in_t::traits::index_type,
+                        typename policy_in_t::traits::iteration_pattern,
+                        typename policy_in_t::traits::launch_bounds,
+                        WorkItemProperty::ImplWorkItemProperty<P>> policy_out_t;
+  };
+}
+
+template<class PolicyType,unsigned long P>
+constexpr typename Impl::PolicyPropertyAdaptor<WorkItemProperty::ImplWorkItemProperty<P>,PolicyType>::policy_out_t
+  require(const PolicyType p, WorkItemProperty::ImplWorkItemProperty<P>){
+    return typename Impl::PolicyPropertyAdaptor<WorkItemProperty::ImplWorkItemProperty<P>,PolicyType>::policy_out_t(p);
+}
+} //Experimental
+} //Kokkos
 #endif /* #define KOKKOS_EXECPOLICY_HPP */
 
diff --git a/lib/kokkos/core/src/Kokkos_Extents.hpp b/lib/kokkos/core/src/Kokkos_Extents.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..c8b9110485f6336ca38731b3233e9ccbc000b244
--- /dev/null
+++ b/lib/kokkos/core/src/Kokkos_Extents.hpp
@@ -0,0 +1,186 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_KOKKOS_EXTENTS_HPP
+#define KOKKOS_KOKKOS_EXTENTS_HPP
+
+#include <cstddef>
+
+namespace Kokkos {
+namespace Experimental {
+
+constexpr ptrdiff_t dynamic_extent = -1;
+
+template <ptrdiff_t... ExtentSpecs>
+struct Extents {
+  /* TODO @enhancement flesh this out more */
+};
+
+template <class Exts, ptrdiff_t NewExtent>
+struct PrependExtent;
+
+template <ptrdiff_t... Exts, ptrdiff_t NewExtent>
+struct PrependExtent<
+  Extents<Exts...>, NewExtent
+> {
+  using type = Extents<NewExtent, Exts...>;
+};
+
+template <class Exts, ptrdiff_t NewExtent>
+struct AppendExtent;
+
+template <ptrdiff_t... Exts, ptrdiff_t NewExtent>
+struct AppendExtent<
+  Extents<Exts...>, NewExtent
+> {
+  using type = Extents<Exts..., NewExtent>;
+};
+
+} // end namespace Experimental
+
+namespace Impl {
+
+namespace _parse_view_extents_impl {
+
+template <class T>
+struct _all_remaining_extents_dynamic : std::true_type { };
+
+template <class T>
+struct _all_remaining_extents_dynamic<T*>
+  : _all_remaining_extents_dynamic<T>
+{ };
+
+template <class T, unsigned N>
+struct _all_remaining_extents_dynamic<T[N]>
+  : std::false_type
+{ };
+
+template <class T, class Result, class=void>
+struct _parse_impl {
+  using type = Result;
+};
+
+// We have to treat the case of int**[x] specially, since it *doesn't* go backwards
+template <class T, ptrdiff_t... ExtentSpec>
+struct _parse_impl<
+  T*, Experimental::Extents<ExtentSpec...>,
+  typename std::enable_if<_all_remaining_extents_dynamic<T>::value>::type
+>
+  : _parse_impl<
+      T, Experimental::Extents<Experimental::dynamic_extent, ExtentSpec...>
+    >
+{ };
+
+// int*(*[x])[y] should still work also (meaning int[][x][][y])
+template <class T, ptrdiff_t... ExtentSpec>
+struct _parse_impl<
+  T*, Experimental::Extents<ExtentSpec...>,
+  typename std::enable_if<not _all_remaining_extents_dynamic<T>::value>::type
+>
+{
+  using _next = Kokkos::Experimental::AppendExtent<
+    typename _parse_impl<T, Experimental::Extents<ExtentSpec...>, void>::type,
+    Experimental::dynamic_extent
+  >;
+  using type = typename _next::type;
+};
+
+template <class T, ptrdiff_t... ExtentSpec, unsigned N>
+struct _parse_impl<
+  T[N], Experimental::Extents<ExtentSpec...>, void
+>
+  : _parse_impl<
+      T, Experimental::Extents<ExtentSpec..., ptrdiff_t(N)> // TODO @pedantic this could be a narrowing cast
+    >
+{ };
+
+} // end namespace _parse_view_extents_impl
+
+template <class DataType>
+struct ParseViewExtents {
+  using type =
+    typename _parse_view_extents_impl
+      ::_parse_impl<DataType, Experimental::Extents<>>::type;
+};
+
+template <class ValueType, ptrdiff_t Ext>
+struct ApplyExtent
+{
+  using type = ValueType[Ext];
+};
+
+template <class ValueType>
+struct ApplyExtent<ValueType, Experimental::dynamic_extent>
+{
+  using type = ValueType*;
+};
+
+template <class ValueType, unsigned N, ptrdiff_t Ext>
+struct ApplyExtent<ValueType[N], Ext>
+{
+  using type = typename ApplyExtent<ValueType, Ext>::type[N];
+};
+
+template <class ValueType, ptrdiff_t Ext>
+struct ApplyExtent<ValueType*, Ext>
+{
+  using type = ValueType*[Ext];
+};
+
+template <class ValueType>
+struct ApplyExtent<ValueType*, Experimental::dynamic_extent>
+{
+  using type = typename ApplyExtent<ValueType, Experimental::dynamic_extent>::type*;
+};
+
+template <class ValueType, unsigned N>
+struct ApplyExtent<ValueType[N], Experimental::dynamic_extent>
+{
+  using type = typename ApplyExtent<ValueType, Experimental::dynamic_extent>::type[N];
+};
+
+} // end namespace Impl
+
+} // end namespace Kokkos
+
+#endif //KOKKOS_KOKKOS_EXTENTS_HPP
diff --git a/lib/kokkos/core/src/Kokkos_Future.hpp b/lib/kokkos/core/src/Kokkos_Future.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..665ce71cf513c02be8fca72d84a3fade1c6a15bf
--- /dev/null
+++ b/lib/kokkos/core/src/Kokkos_Future.hpp
@@ -0,0 +1,567 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_FUTURE_HPP
+#define KOKKOS_FUTURE_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_TaskScheduler_fwd.hpp>
+//----------------------------------------------------------------------------
+
+#include <impl/Kokkos_TaskQueue.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+#include <impl/Kokkos_TaskBase.hpp>
+#include <Kokkos_Atomic.hpp>
+
+#include <Kokkos_Concepts.hpp> // is_space
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+// For now, hack this in as a partial specialization
+// TODO @tasking @cleanup Make this the "normal" class template and make the old code the specialization
+template <typename ValueType, typename ExecutionSpace, typename QueueType>
+class BasicFuture<ValueType, SimpleTaskScheduler<ExecutionSpace, QueueType>>
+{
+public:
+
+  using value_type = ValueType;
+  using execution_space = ExecutionSpace;
+  using scheduler_type = SimpleTaskScheduler<ExecutionSpace, QueueType>;
+  using queue_type = typename scheduler_type::task_queue_type;
+
+
+private:
+
+  template <class, class>
+  friend class SimpleTaskScheduler;
+  template <class, class>
+  friend class BasicFuture;
+
+  using task_base_type = typename scheduler_type::task_base_type;
+  using task_queue_type = typename scheduler_type::task_queue_type;
+
+  using task_queue_traits = typename scheduler_type::task_queue_traits;
+  using task_scheduling_info_type = typename scheduler_type::task_scheduling_info_type;
+
+  using result_storage_type =
+    Impl::TaskResultStorage<
+      ValueType,
+      Impl::SchedulingInfoStorage<
+        Impl::RunnableTaskBase<task_queue_traits>,
+        task_scheduling_info_type
+      >
+    >;
+
+
+
+  OwningRawPtr<task_base_type> m_task = nullptr;
+
+  KOKKOS_INLINE_FUNCTION
+  explicit
+  BasicFuture(task_base_type* task)
+    : m_task(task)
+  {
+    // Note: reference count starts at 2 to account for initial increment
+    // TODO @tasking @minor DSH verify reference count here and/or encapsulate starting reference count closer to here
+  }
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture() noexcept : m_task(nullptr) { }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture&& rhs) noexcept
+    : m_task(std::move(rhs.m_task))
+  {
+    rhs.m_task = nullptr;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture const& rhs)
+  //  : m_task(rhs.m_task)
+    : m_task(nullptr)
+  {
+    *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+    if(m_task) m_task->increment_reference_count();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture&& rhs) noexcept
+  {
+    if(m_task != rhs.m_task) {
+      clear();
+      //m_task = std::move(rhs.m_task);
+      *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+      // rhs.m_task reference count is unchanged, since this is a move
+    }
+    else {
+      // They're the same, but this is a move, so 1 fewer references now
+      rhs.clear();
+    }
+    rhs.m_task = nullptr;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture const& rhs)
+  {
+    if(m_task != rhs.m_task) {
+      clear();
+      //m_task = rhs.m_task;
+      *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+    }
+    if(m_task != nullptr) { m_task->increment_reference_count(); }
+    return *this;
+  }
+
+  //----------------------------------------
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture<T, S>&& rhs) noexcept // NOLINT(google-explicit-constructor)
+    : m_task(std::move(rhs.m_task))
+  {
+    static_assert(
+      std::is_same<scheduler_type, void>::value ||
+        std::is_same<scheduler_type, S>::value,
+      "Moved Futures must have the same scheduler"
+    );
+
+    static_assert(
+      std::is_same<value_type, void>::value ||
+        std::is_same<value_type, T>::value,
+      "Moved Futures must have the same value_type"
+    );
+
+    // reference counts are unchanged, since this is a move
+    rhs.m_task = nullptr;
+  }
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture<T, S> const& rhs) // NOLINT(google-explicit-constructor)
+    //: m_task(rhs.m_task)
+    : m_task(nullptr)
+  {
+    static_assert(
+      std::is_same<scheduler_type, void>::value ||
+        std::is_same<scheduler_type, S>::value,
+      "Copied Futures must have the same scheduler"
+    );
+
+    static_assert(
+      std::is_same<value_type, void>::value ||
+        std::is_same<value_type, T>::value,
+      "Copied Futures must have the same value_type"
+    );
+
+    *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+    if(m_task) m_task->increment_reference_count();
+  }
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture&
+  operator=(BasicFuture<T, S> const& rhs)
+  {
+    static_assert(
+      std::is_same<scheduler_type, void>::value ||
+        std::is_same<scheduler_type, S>::value,
+      "Assigned Futures must have the same scheduler"
+    );
+
+    static_assert(
+      std::is_same<value_type, void>::value ||
+        std::is_same<value_type, T>::value,
+      "Assigned Futures must have the same value_type"
+    );
+
+    if(m_task != rhs.m_task) {
+      clear();
+      //m_task = rhs.m_task;
+      *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+      if(m_task != nullptr) { m_task->increment_reference_count(); }
+    }
+    return *this;
+  }
+
+  template<class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture<T, S>&& rhs)
+  {
+    static_assert(
+      std::is_same<scheduler_type, void>::value ||
+        std::is_same<scheduler_type, S>::value,
+      "Assigned Futures must have the same scheduler"
+    );
+
+    static_assert(
+      std::is_same<value_type, void>::value ||
+        std::is_same<value_type, T>::value,
+      "Assigned Futures must have the same value_type"
+    );
+
+    if(m_task != rhs.m_task) {
+      clear();
+      //m_task = std::move(rhs.m_task);
+      *static_cast<task_base_type* volatile*>(&m_task) = rhs.m_task;
+      // rhs.m_task reference count is unchanged, since this is a move
+    }
+    else {
+      // They're the same, but this is a move, so 1 fewer references now
+      rhs.clear();
+    }
+    rhs.m_task = nullptr;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ~BasicFuture() noexcept { clear(); }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  void clear() noexcept {
+    if(m_task) {
+      bool should_delete = m_task->decrement_and_check_reference_count();
+      if(should_delete) {
+        static_cast<task_queue_type*>(m_task->ready_queue_base_ptr())
+          ->deallocate(std::move(*m_task));
+      }
+    }
+    //m_task = nullptr;
+    *static_cast<task_base_type* volatile*>(&m_task) = nullptr;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_null() const noexcept {
+    return m_task == nullptr;
+  }
+
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_ready() const noexcept {
+    return (m_task == nullptr) || m_task->wait_queue_is_consumed();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  const typename Impl::TaskResult< ValueType >::reference_type
+  get() const
+  {
+    KOKKOS_EXPECTS(is_ready());
+    return static_cast<result_storage_type*>(m_task)->value_reference();
+    //return Impl::TaskResult<ValueType>::get(m_task);
+  }
+
+};
+
+////////////////////////////////////////////////////////////////////////////////
+// OLD CODE
+////////////////////////////////////////////////////////////////////////////////
+
+template <typename ValueType, typename Scheduler>
+class BasicFuture {
+private:
+
+  template< typename , typename > friend class BasicTaskScheduler ;
+  template< typename , typename > friend class BasicFuture ;
+  friend class Impl::TaskBase ;
+  template< typename , typename , typename > friend class Impl::Task ;
+
+
+  //----------------------------------------
+
+public:
+
+  //----------------------------------------
+
+  using scheduler_type = Scheduler;
+  using queue_type = typename scheduler_type::queue_type;
+  using execution_space = typename scheduler_type::execution_space;
+  using value_type = ValueType;
+
+  //----------------------------------------
+
+private:
+
+  //----------------------------------------
+
+  using task_base  = Impl::TaskBase;
+
+  task_base * m_task ;
+
+  KOKKOS_INLINE_FUNCTION explicit
+  BasicFuture( task_base * task ) : m_task(0)
+  { if ( task ) queue_type::assign( & m_task , task ); }
+
+  //----------------------------------------
+
+public:
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_null() const { return 0 == m_task ; }
+
+  KOKKOS_INLINE_FUNCTION
+  int reference_count() const
+  { return 0 != m_task ? m_task->reference_count() : 0 ; }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  void clear()
+  { if ( m_task ) queue_type::assign( & m_task , (task_base*)0 ); }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  ~BasicFuture() { clear(); }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture() noexcept : m_task(nullptr) { }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture( BasicFuture && rhs ) noexcept
+    : m_task( rhs.m_task )
+  {
+    rhs.m_task = 0;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture( const BasicFuture & rhs )
+    : m_task(0)
+  { if ( rhs.m_task ) queue_type::assign( & m_task , rhs.m_task ); }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture&& rhs) noexcept
+  {
+    clear();
+    m_task = rhs.m_task ;
+    rhs.m_task = 0 ;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture const& rhs)
+  {
+    if ( m_task || rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
+    return *this ;
+  }
+
+  //----------------------------------------
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture<T, S>&& rhs) noexcept // NOLINT(google-explicit-constructor)
+    : m_task( rhs.m_task )
+  {
+    static_assert
+      ( std::is_same<scheduler_type, void>::value ||
+          std::is_same<scheduler_type, S>::value
+        , "Assigned Futures must have the same scheduler" );
+
+    static_assert
+      ( std::is_same< value_type , void >::value ||
+          std::is_same<value_type, T>::value
+        , "Assigned Futures must have the same value_type" );
+
+    rhs.m_task = 0 ;
+  }
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture(BasicFuture<T, S> const& rhs) // NOLINT(google-explicit-constructor)
+    : m_task(nullptr)
+  {
+    static_assert
+      ( std::is_same<scheduler_type, void>::value ||
+          std::is_same<scheduler_type, S>::value
+        , "Assigned Futures must have the same scheduler" );
+
+    static_assert
+      ( std::is_same< value_type , void >::value ||
+          std::is_same<value_type, T>::value
+        , "Assigned Futures must have the same value_type" );
+
+    if ( rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
+  }
+
+  template <class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture&
+  operator=(BasicFuture<T, S> const& rhs)
+  {
+    static_assert
+      ( std::is_same<scheduler_type, void>::value ||
+          std::is_same<scheduler_type, S>::value
+        , "Assigned Futures must have the same scheduler" );
+
+    static_assert
+      ( std::is_same< value_type , void >::value ||
+          std::is_same<value_type, T>::value
+        , "Assigned Futures must have the same value_type" );
+
+    if ( m_task || rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
+    return *this ;
+  }
+
+  template<class T, class S>
+  KOKKOS_INLINE_FUNCTION
+  BasicFuture& operator=(BasicFuture<T, S>&& rhs)
+  {
+    static_assert
+      ( std::is_same<scheduler_type, void>::value ||
+          std::is_same<scheduler_type, S>::value
+        , "Assigned Futures must have the same scheduler" );
+
+    static_assert
+      ( std::is_same< value_type , void >::value ||
+          std::is_same<value_type, T>::value
+        , "Assigned Futures must have the same value_type" );
+
+    clear();
+    m_task = rhs.m_task ;
+    rhs.m_task = 0 ;
+    return *this ;
+  }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  int is_ready() const noexcept
+  { return ( 0 == m_task ) || ( ((task_base*) task_base::LockTag) == m_task->m_wait ); }
+
+  KOKKOS_INLINE_FUNCTION
+  const typename Impl::TaskResult< ValueType >::reference_type
+  get() const
+  {
+    if ( 0 == m_task ) {
+      Kokkos::abort( "Kokkos:::Future::get ERROR: is_null()");
+    }
+    return Impl::TaskResult< ValueType >::get( m_task );
+  }
+};
+
+// Is a Future with the given execution space
+template< typename , typename ExecSpace = void >
+struct is_future : public std::false_type {};
+
+template<typename ValueType, typename Scheduler, typename ExecSpace>
+struct is_future<BasicFuture<ValueType, Scheduler>, ExecSpace>
+  : std::integral_constant<bool,
+      std::is_same<ExecSpace, typename Scheduler::execution_space>::value
+      || std::is_void<ExecSpace>::value
+    >
+{};
+
+////////////////////////////////////////////////////////////////////////////////
+// END OLD CODE
+////////////////////////////////////////////////////////////////////////////////
+
+namespace Impl {
+
+template <class Arg1, class Arg2>
+class ResolveFutureArgOrder {
+private:
+  enum { Arg1_is_space = Kokkos::is_space<Arg1>::value };
+  enum { Arg2_is_space = Kokkos::is_space<Arg2>::value };
+  enum { Arg1_is_value = !Arg1_is_space && !std::is_same<Arg1, void>::value };
+  enum { Arg2_is_value = !Arg2_is_space && !std::is_same<Arg2, void>::value };
+
+  static_assert(
+    ! ( Arg1_is_space && Arg2_is_space ),
+    "Future cannot be given two spaces"
+  );
+
+  static_assert(
+    ! ( Arg1_is_value && Arg2_is_value ),
+    "Future cannot be given two value types"
+  );
+
+  using value_type =
+    typename std::conditional<Arg1_is_value, Arg1,
+      typename std::conditional<Arg2_is_value, Arg2, void>::type
+    >::type;
+
+  using execution_space =
+    typename std::conditional<Arg1_is_space, Arg1,
+      typename std::conditional<Arg2_is_space, Arg2, void>::type
+    >::type::execution_space;
+
+public:
+
+  using type = BasicFuture<value_type, TaskScheduler<execution_space>>;
+
+};
+
+} // end namespace Impl
+
+/**
+ *
+ *  Future< space >  // value_type == void
+ *  Future< value >  // space == Default
+ *  Future< value , space >
+ *
+ */
+template <class Arg1 = void, class Arg2 = void>
+using Future = typename Impl::ResolveFutureArgOrder<Arg1, Arg2>::type;
+
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_FUTURE */
diff --git a/lib/kokkos/core/src/Kokkos_HPX.hpp b/lib/kokkos/core/src/Kokkos_HPX.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..79a2b74da493e8b3cc01f4877091cd363d55c3ae
--- /dev/null
+++ b/lib/kokkos/core/src/Kokkos_HPX.hpp
@@ -0,0 +1,1999 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_HPX_HPP
+#define KOKKOS_HPX_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined(KOKKOS_ENABLE_HPX)
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_HostSpace.hpp>
+#include <cstddef>
+#include <iosfwd>
+
+#ifdef KOKKOS_ENABLE_HBWSPACE
+#include <Kokkos_HBWSpace.hpp>
+#endif
+
+#include <Kokkos_HostSpace.hpp>
+#include <Kokkos_Layout.hpp>
+#include <Kokkos_MemoryTraits.hpp>
+#include <Kokkos_Parallel.hpp>
+#include <Kokkos_ScratchSpace.hpp>
+#include <Kokkos_TaskScheduler.hpp>
+#include <impl/Kokkos_FunctorAdapter.hpp>
+#include <impl/Kokkos_FunctorAnalysis.hpp>
+#include <impl/Kokkos_Profiling_Interface.hpp>
+#include <impl/Kokkos_Tags.hpp>
+#include <impl/Kokkos_TaskQueue.hpp>
+
+#include <KokkosExp_MDRangePolicy.hpp>
+
+#include <hpx/apply.hpp>
+#include <hpx/hpx_start.hpp>
+#include <hpx/lcos/local/barrier.hpp>
+#include <hpx/lcos/local/counting_semaphore.hpp>
+#include <hpx/parallel/algorithms/for_loop.hpp>
+#include <hpx/parallel/algorithms/reduce.hpp>
+#include <hpx/parallel/executors/static_chunk_size.hpp>
+#include <hpx/runtime.hpp>
+#include <hpx/runtime/threads/run_as_hpx_thread.hpp>
+#include <hpx/runtime/threads/threadmanager.hpp>
+
+#include <iostream>
+#include <memory>
+#include <sstream>
+#include <stdexcept>
+#include <type_traits>
+#include <vector>
+
+// There are currently two different implementations for the parallel dispatch
+// functions:
+//
+// - 0: The HPX way. Unfortunately, this comes with unnecessary
+//      overheads at the moment, so there is
+// - 1: The manual way. This way is more verbose and does not take advantage of
+//      e.g. parallel::for_loop in HPX but it is significantly faster in many
+//      benchmarks.
+//
+// In the long run 0 should be the preferred implementation, but until HPX is
+// improved 1 will be the default.
+#ifndef KOKKOS_HPX_IMPLEMENTATION
+#define KOKKOS_HPX_IMPLEMENTATION 1
+#endif
+
+#if (KOKKOS_HPX_IMPLEMENTATION < 0) || (KOKKOS_HPX_IMPLEMENTATION > 1)
+#error "You have chosen an invalid value for KOKKOS_HPX_IMPLEMENTATION"
+#endif
+
+namespace Kokkos {
+namespace Impl {
+class thread_buffer {
+  static constexpr std::size_t m_cache_line_size = 64;
+
+  std::size_t m_num_threads;
+  std::size_t m_size_per_thread;
+  std::size_t m_size_total;
+  char *m_data;
+
+  void pad_to_cache_line(std::size_t &size) {
+    size = ((size + m_cache_line_size - 1) / m_cache_line_size) *
+           m_cache_line_size;
+  }
+
+public:
+  thread_buffer()
+      : m_num_threads(0), m_size_per_thread(0), m_size_total(0),
+        m_data(nullptr) {}
+  thread_buffer(const std::size_t num_threads,
+                const std::size_t size_per_thread) {
+    resize(num_threads, size_per_thread);
+  }
+  ~thread_buffer() { delete[] m_data; }
+
+  thread_buffer(const thread_buffer &) = delete;
+  thread_buffer(thread_buffer &&) = delete;
+  thread_buffer &operator=(const thread_buffer &) = delete;
+  thread_buffer &operator=(thread_buffer) = delete;
+
+  void resize(const std::size_t num_threads,
+              const std::size_t size_per_thread) {
+    m_num_threads = num_threads;
+    m_size_per_thread = size_per_thread;
+
+    pad_to_cache_line(m_size_per_thread);
+
+    std::size_t size_total_new = m_num_threads * m_size_per_thread;
+
+    if (m_size_total < size_total_new) {
+      delete[] m_data;
+      m_data = new char[size_total_new];
+      m_size_total = size_total_new;
+    }
+  }
+
+  char *get(std::size_t thread_num) {
+    assert(thread_num < m_num_threads);
+    if (m_data == nullptr) {
+      return nullptr;
+    }
+    return &m_data[thread_num * m_size_per_thread];
+  }
+
+  std::size_t size_per_thread() const noexcept { return m_size_per_thread; }
+  std::size_t size_total() const noexcept { return m_size_total; }
+};
+} // namespace Impl
+
+namespace Experimental {
+class HPX {
+private:
+  static bool m_hpx_initialized;
+  static Kokkos::Impl::thread_buffer m_buffer;
+#if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+  static hpx::future<void> m_future;
+#endif
+
+public:
+  using execution_space = HPX;
+  using memory_space = HostSpace;
+  using device_type = Kokkos::Device<execution_space, memory_space>;
+  using array_layout = LayoutRight;
+  using size_type = memory_space::size_type;
+  using scratch_memory_space = ScratchMemorySpace<HPX>;
+
+  HPX() noexcept {}
+  static void print_configuration(std::ostream &,
+                                  const bool /* verbose */ = false) {
+    std::cout << "HPX backend" << std::endl;
+  }
+
+  static bool in_parallel(HPX const & = HPX()) noexcept { return false; }
+  static void impl_static_fence(HPX const & = HPX())
+  #if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+    {
+      if (hpx::threads::get_self_ptr() == nullptr) {
+        hpx::threads::run_as_hpx_thread([]() { impl_get_future().wait(); });
+      } else {
+        impl_get_future().wait();
+      }
+    }
+  #else
+        noexcept {
+    }
+  #endif
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+  static void fence(HPX const & = HPX()) {
+  #else
+  void fence() const {
+  #endif
+    impl_static_fence();
+  }
+
+  static bool is_asynchronous(HPX const & = HPX()) noexcept {
+#if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+    return true;
+#else
+    return false;
+#endif
+  }
+
+  static std::vector<HPX> partition(...) {
+    Kokkos::abort("Kokkos::Experimental::HPX::partition_master: can't partition an HPX "
+                  "instance\n");
+    return std::vector<HPX>();
+  }
+
+  template <typename F>
+  static void partition_master(F const &f, int requested_num_partitions = 0,
+                               int requested_partition_size = 0) {
+    if (requested_num_partitions > 1) {
+      Kokkos::abort("Kokkos::Experimental::HPX::partition_master: can't partition an "
+                    "HPX instance\n");
+    }
+  }
+
+  static int concurrency();
+  static void impl_initialize(int thread_count);
+  static void impl_initialize();
+  static bool impl_is_initialized() noexcept;
+  static void impl_finalize();
+
+  static int impl_thread_pool_size() noexcept {
+    hpx::runtime *rt = hpx::get_runtime_ptr();
+    if (rt == nullptr) {
+      return 0;
+    } else {
+      if (hpx::threads::get_self_ptr() == nullptr) {
+        return hpx::resource::get_thread_pool(0).get_os_thread_count();
+      } else {
+        return hpx::this_thread::get_pool()->get_os_thread_count();
+      }
+    }
+  }
+
+  static int impl_thread_pool_rank() noexcept {
+    hpx::runtime *rt = hpx::get_runtime_ptr();
+    if (rt == nullptr) {
+      return 0;
+    } else {
+      if (hpx::threads::get_self_ptr() == nullptr) {
+        return 0;
+      } else {
+        return hpx::this_thread::get_pool()->get_pool_index();
+      }
+    }
+  }
+
+  static int impl_thread_pool_size(int depth) {
+    if (depth == 0) {
+      return impl_thread_pool_size();
+    } else {
+      return 1;
+    }
+  }
+
+  static int impl_max_hardware_threads() noexcept {
+    return hpx::threads::hardware_concurrency();
+  }
+
+  static int impl_hardware_thread_id() noexcept {
+    return hpx::get_worker_thread_num();
+  }
+
+  static Kokkos::Impl::thread_buffer &impl_get_buffer() noexcept {
+    return m_buffer;
+  }
+#if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+  static hpx::future<void> &impl_get_future() noexcept { return m_future; }
+#endif
+
+  static constexpr const char *name() noexcept { return "HPX"; }
+};
+} // namespace Experimental
+
+namespace Impl {
+template <typename Closure>
+inline void dispatch_execute_task(Closure *closure) {
+#if defined(KOKKOS_ENABLE_HPX_ASYNC_DISPATCH)
+  if (hpx::threads::get_self_ptr() == nullptr) {
+    hpx::threads::run_as_hpx_thread([closure]() {
+      hpx::future<void> &fut = Kokkos::Experimental::HPX::impl_get_future();
+      Closure closure_copy = *closure;
+      fut = fut.then([closure_copy](hpx::future<void> &&) {
+        closure_copy.execute_task();
+      });
+    });
+  } else {
+    hpx::future<void> &fut = Kokkos::Experimental::HPX::impl_get_future();
+    Closure closure_copy = *closure;
+    fut = fut.then(
+        [closure_copy](hpx::future<void> &&) { closure_copy.execute_task(); });
+  }
+#else
+  if (hpx::threads::get_self_ptr() == nullptr) {
+    hpx::threads::run_as_hpx_thread([closure]() { closure->execute_task(); });
+  } else {
+    closure->execute_task();
+  }
+#endif
+}
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+template <>
+struct MemorySpaceAccess<Kokkos::Experimental::HPX::memory_space,
+                         Kokkos::Experimental::HPX::scratch_memory_space> {
+  enum { assignable = false };
+  enum { accessible = true };
+  enum { deepcopy = false };
+};
+
+template <>
+struct VerifyExecutionCanAccessMemorySpace<
+    Kokkos::Experimental::HPX::memory_space,
+    Kokkos::Experimental::HPX::scratch_memory_space> {
+  enum { value = true };
+  inline static void verify(void) {}
+  inline static void verify(const void *) {}
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Experimental {
+template <> class UniqueToken<HPX, UniqueTokenScope::Instance> {
+public:
+  using execution_space = HPX;
+  using size_type = int;
+  UniqueToken(execution_space const & = execution_space()) noexcept {}
+
+  // NOTE: Currently this assumes that there is no oversubscription.
+  // hpx::get_num_worker_threads can't be used directly because it may yield
+  // it's task (problematic if called after hpx::get_worker_thread_num).
+  int size() const noexcept { return HPX::impl_max_hardware_threads(); }
+  int acquire() const noexcept { return HPX::impl_hardware_thread_id(); }
+  void release(int) const noexcept {}
+};
+
+template <> class UniqueToken<HPX, UniqueTokenScope::Global> {
+public:
+  using execution_space = HPX;
+  using size_type = int;
+  UniqueToken(execution_space const & = execution_space()) noexcept {}
+
+  // NOTE: Currently this assumes that there is no oversubscription.
+  // hpx::get_num_worker_threads can't be used directly because it may yield
+  // it's task (problematic if called after hpx::get_worker_thread_num).
+  int size() const noexcept { return HPX::impl_max_hardware_threads(); }
+  int acquire() const noexcept { return HPX::impl_hardware_thread_id(); }
+  void release(int) const noexcept {}
+};
+} // namespace Experimental
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+
+struct HPXTeamMember {
+public:
+  using execution_space = Kokkos::Experimental::HPX;
+  using scratch_memory_space =
+      Kokkos::ScratchMemorySpace<Kokkos::Experimental::HPX>;
+
+private:
+  scratch_memory_space m_team_shared;
+  std::size_t m_team_shared_size;
+
+  int m_league_size;
+  int m_league_rank;
+  int m_team_size;
+  int m_team_rank;
+
+public:
+  KOKKOS_INLINE_FUNCTION
+  const scratch_memory_space &team_shmem() const {
+    return m_team_shared.set_team_thread_mode(0, 1, 0);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  const execution_space::scratch_memory_space &team_scratch(const int) const {
+    return m_team_shared.set_team_thread_mode(0, 1, 0);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  const execution_space::scratch_memory_space &thread_scratch(const int) const {
+    return m_team_shared.set_team_thread_mode(0, team_size(), team_rank());
+  }
+
+  KOKKOS_INLINE_FUNCTION int league_rank() const noexcept {
+    return m_league_rank;
+  }
+
+  KOKKOS_INLINE_FUNCTION int league_size() const noexcept {
+    return m_league_size;
+  }
+
+  KOKKOS_INLINE_FUNCTION int team_rank() const noexcept { return m_team_rank; }
+  KOKKOS_INLINE_FUNCTION int team_size() const noexcept { return m_team_size; }
+
+  template <class... Properties>
+  constexpr KOKKOS_INLINE_FUNCTION
+  HPXTeamMember(const TeamPolicyInternal<Kokkos::Experimental::HPX,
+                                         Properties...> &policy,
+                const int team_rank, const int league_rank, void *scratch,
+                int scratch_size) noexcept
+      : m_team_shared(scratch, scratch_size, scratch, scratch_size),
+        m_team_shared_size(scratch_size), m_league_size(policy.league_size()),
+        m_league_rank(league_rank), m_team_size(policy.team_size()),
+        m_team_rank(team_rank) {}
+
+  KOKKOS_INLINE_FUNCTION
+  void team_barrier() const {}
+
+  template <class ValueType>
+  KOKKOS_INLINE_FUNCTION void team_broadcast(ValueType &, const int &) const {
+    static_assert(std::is_trivially_default_constructible<ValueType>(),
+                  "Only trivial constructible types can be broadcasted");
+  }
+
+  template <class Closure, class ValueType>
+  KOKKOS_INLINE_FUNCTION void team_broadcast(const Closure &, ValueType &,
+                                             const int &) const {
+    static_assert(std::is_trivially_default_constructible<ValueType>(),
+                  "Only trivial constructible types can be broadcasted");
+  }
+
+  template <class ValueType, class JoinOp>
+  KOKKOS_INLINE_FUNCTION ValueType team_reduce(const ValueType &value,
+                                               const JoinOp &) const {
+    return value;
+  }
+
+  template <class ReducerType>
+  KOKKOS_INLINE_FUNCTION
+      typename std::enable_if<is_reducer<ReducerType>::value>::type
+      team_reduce(const ReducerType &reducer) const {}
+
+  template <typename Type>
+  KOKKOS_INLINE_FUNCTION Type
+  team_scan(const Type &value, Type *const global_accum = nullptr) const {
+    if (global_accum) {
+      Kokkos::atomic_fetch_add(global_accum, value);
+    }
+
+    return 0;
+  }
+};
+
+template <class... Properties>
+class TeamPolicyInternal<Kokkos::Experimental::HPX, Properties...>
+    : public PolicyTraits<Properties...> {
+  using traits = PolicyTraits<Properties...>;
+
+  int m_league_size;
+  int m_team_size;
+  std::size_t m_team_scratch_size[2];
+  std::size_t m_thread_scratch_size[2];
+  int m_chunk_size;
+
+public:
+  using member_type = HPXTeamMember;
+
+  // NOTE: Max size is 1 for simplicity. In most cases more than 1 is not
+  // necessary on CPU. Implement later if there is a need.
+  template <class FunctorType>
+  inline static int team_size_max(const FunctorType &) {
+    return 1;
+  }
+
+  template <class FunctorType>
+  inline static int team_size_recommended(const FunctorType &) {
+    return 1;
+  }
+
+  template <class FunctorType>
+  inline static int team_size_recommended(const FunctorType &, const int &) {
+    return 1;
+  }
+
+  template <class FunctorType>
+  int team_size_max(const FunctorType &, const ParallelForTag &) const {
+    return 1;
+  }
+
+  template <class FunctorType>
+  int team_size_max(const FunctorType &, const ParallelReduceTag &) const {
+    return 1;
+  }
+  template <class FunctorType>
+  int team_size_recommended(const FunctorType &, const ParallelForTag &) const {
+    return 1;
+  }
+  template <class FunctorType>
+  int team_size_recommended(const FunctorType &,
+                            const ParallelReduceTag &) const {
+    return 1;
+  }
+
+private:
+  inline void init(const int league_size_request, const int team_size_request) {
+    m_league_size = league_size_request;
+    const int max_team_size = 1; // TODO: Can't use team_size_max(...) because
+                                 // it requires a functor as argument.
+    m_team_size =
+        team_size_request > max_team_size ? max_team_size : team_size_request;
+
+    if (m_chunk_size > 0) {
+      if (!Impl::is_integral_power_of_two(m_chunk_size))
+        Kokkos::abort("TeamPolicy blocking granularity must be power of two");
+    } else {
+      int new_chunk_size = 1;
+      while (new_chunk_size * 4 * Kokkos::Experimental::HPX::concurrency() <
+             m_league_size) {
+        new_chunk_size *= 2;
+      }
+
+      if (new_chunk_size < 128) {
+        new_chunk_size = 1;
+        while ((new_chunk_size * Kokkos::Experimental::HPX::concurrency() <
+                m_league_size) &&
+               (new_chunk_size < 128))
+          new_chunk_size *= 2;
+      }
+
+      m_chunk_size = new_chunk_size;
+    }
+  }
+
+public:
+  inline int team_size() const { return m_team_size; }
+  inline int league_size() const { return m_league_size; }
+
+  inline size_t scratch_size(const int &level, int team_size_ = -1) const {
+    if (team_size_ < 0) {
+      team_size_ = m_team_size;
+    }
+    return m_team_scratch_size[level] +
+           team_size_ * m_thread_scratch_size[level];
+  }
+
+public:
+  template <class ExecSpace, class... OtherProperties>
+  friend class TeamPolicyInternal;
+
+  template <class... OtherProperties>
+  TeamPolicyInternal(
+      const TeamPolicyInternal<Kokkos::Experimental::HPX, OtherProperties...> &p) {
+    m_league_size = p.m_league_size;
+    m_team_size = p.m_team_size;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+  }
+
+  TeamPolicyInternal(const typename traits::execution_space &,
+                     int league_size_request, int team_size_request,
+                     int /* vector_length_request */ = 1)
+      : m_team_scratch_size{0, 0}, m_thread_scratch_size{0, 0},
+        m_chunk_size(0) {
+    init(league_size_request, team_size_request);
+  }
+
+  TeamPolicyInternal(const typename traits::execution_space &,
+                     int league_size_request,
+                     const Kokkos::AUTO_t &team_size_request,
+                     int /* vector_length_request */ = 1)
+      : m_team_scratch_size{0, 0}, m_thread_scratch_size{0, 0},
+        m_chunk_size(0) {
+    init(league_size_request, 1);
+  }
+
+  TeamPolicyInternal(int league_size_request, int team_size_request,
+                     int /* vector_length_request */ = 1)
+      : m_team_scratch_size{0, 0}, m_thread_scratch_size{0, 0},
+        m_chunk_size(0) {
+    init(league_size_request, team_size_request);
+  }
+
+  TeamPolicyInternal(int league_size_request,
+                     const Kokkos::AUTO_t &team_size_request,
+                     int /* vector_length_request */ = 1)
+      : m_team_scratch_size{0, 0}, m_thread_scratch_size{0, 0},
+        m_chunk_size(0) {
+    init(league_size_request, 1);
+  }
+
+  inline int chunk_size() const { return m_chunk_size; }
+
+  inline TeamPolicyInternal &
+  set_chunk_size(typename traits::index_type chunk_size_) {
+    m_chunk_size = chunk_size_;
+    return *this;
+  }
+
+  inline TeamPolicyInternal &set_scratch_size(const int &level,
+                                              const PerTeamValue &per_team) {
+    m_team_scratch_size[level] = per_team.value;
+    return *this;
+  }
+
+  inline TeamPolicyInternal &
+  set_scratch_size(const int &level, const PerThreadValue &per_thread) {
+    m_thread_scratch_size[level] = per_thread.value;
+    return *this;
+  }
+
+  inline TeamPolicyInternal &
+  set_scratch_size(const int &level, const PerTeamValue &per_team,
+                   const PerThreadValue &per_thread) {
+    m_team_scratch_size[level] = per_team.value;
+    m_thread_scratch_size[level] = per_thread.value;
+    return *this;
+  }
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+
+template <class FunctorType, class... Traits>
+class ParallelFor<FunctorType, Kokkos::RangePolicy<Traits...>,
+                  Kokkos::Experimental::HPX> {
+private:
+  using Policy = Kokkos::RangePolicy<Traits...>;
+  using WorkTag = typename Policy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+
+  const FunctorType m_functor;
+  const Policy m_policy;
+
+  template <class TagType>
+  static typename std::enable_if<std::is_same<TagType, void>::value>::type
+  execute_functor(const FunctorType &functor, const Member i) {
+    functor(i);
+  }
+
+  template <class TagType>
+  static typename std::enable_if<!std::is_same<TagType, void>::value>::type
+  execute_functor(const FunctorType &functor, const Member i) {
+    const TagType t{};
+    functor(t, i);
+  }
+
+  template <class TagType>
+  static typename std::enable_if<std::is_same<TagType, void>::value>::type
+  execute_functor_range(const FunctorType &functor, const Member i_begin,
+                        const Member i_end) {
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(i);
+    }
+  }
+
+  template <class TagType>
+  static typename std::enable_if<!std::is_same<TagType, void>::value>::type
+  execute_functor_range(const FunctorType &functor, const Member i_begin,
+                        const Member i_end) {
+    const TagType t{};
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(t, i);
+    }
+  }
+
+public:
+  void execute() const { Kokkos::Impl::dispatch_execute_task(this); }
+
+  void execute_task() const {
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+    using hpx::parallel::execution::static_chunk_size;
+
+    for_loop(par.with(static_chunk_size(m_policy.chunk_size())),
+             m_policy.begin(), m_policy.end(), [this](const Member i) {
+               execute_functor<WorkTag>(m_functor, i);
+             });
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (Member i_begin = m_policy.begin(); i_begin < m_policy.end();
+         i_begin += m_policy.chunk_size()) {
+      apply([this, &sem, i_begin]() {
+        const Member i_end =
+            (std::min)(i_begin + m_policy.chunk_size(), m_policy.end());
+        execute_functor_range<WorkTag>(m_functor, i_begin, i_end);
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+#endif
+  }
+
+  inline ParallelFor(const FunctorType &arg_functor, Policy arg_policy)
+      : m_functor(arg_functor), m_policy(arg_policy) {}
+};
+
+template <class FunctorType, class... Traits>
+class ParallelFor<FunctorType, Kokkos::MDRangePolicy<Traits...>,
+                  Kokkos::Experimental::HPX> {
+private:
+  using MDRangePolicy = Kokkos::MDRangePolicy<Traits...>;
+  using Policy = typename MDRangePolicy::impl_range_policy;
+  using WorkTag = typename MDRangePolicy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+  using iterate_type =
+      typename Kokkos::Impl::HostIterateTile<MDRangePolicy, FunctorType,
+                                             WorkTag, void>;
+
+  const FunctorType m_functor;
+  const MDRangePolicy m_mdr_policy;
+  const Policy m_policy;
+
+public:
+  void execute() const { dispatch_execute_task(this); }
+
+  inline void execute_task() const {
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+    using hpx::parallel::execution::static_chunk_size;
+
+    for_loop(par.with(static_chunk_size(m_policy.chunk_size())),
+             m_policy.begin(), m_policy.end(), [this](const Member i) {
+               iterate_type(m_mdr_policy, m_functor)(i);
+             });
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (Member i_begin = m_policy.begin(); i_begin < m_policy.end();
+         i_begin += m_policy.chunk_size()) {
+      apply([this, &sem, i_begin]() {
+        const Member i_end =
+            (std::min)(i_begin + m_policy.chunk_size(), m_policy.end());
+        for (Member i = i_begin; i < i_end; ++i) {
+          iterate_type(m_mdr_policy, m_functor)(i);
+        }
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+#endif
+  }
+
+  inline ParallelFor(const FunctorType &arg_functor, MDRangePolicy arg_policy)
+      : m_functor(arg_functor), m_mdr_policy(arg_policy),
+        m_policy(Policy(0, m_mdr_policy.m_num_tiles).set_chunk_size(1)) {}
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+template <class FunctorType, class ReducerType, class... Traits>
+class ParallelReduce<FunctorType, Kokkos::RangePolicy<Traits...>, ReducerType,
+                     Kokkos::Experimental::HPX> {
+private:
+  using Policy = Kokkos::RangePolicy<Traits...>;
+  using WorkTag = typename Policy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+  using Analysis =
+      FunctorAnalysis<FunctorPatternInterface::REDUCE, Policy, FunctorType>;
+  using ReducerConditional =
+      Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                         FunctorType, ReducerType>;
+  using ReducerTypeFwd = typename ReducerConditional::type;
+  using WorkTagFwd =
+      typename Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                                  WorkTag, void>::type;
+  using ValueInit = Kokkos::Impl::FunctorValueInit<ReducerTypeFwd, WorkTagFwd>;
+  using ValueJoin = Kokkos::Impl::FunctorValueJoin<ReducerTypeFwd, WorkTagFwd>;
+  using ValueOps = Kokkos::Impl::FunctorValueOps<ReducerTypeFwd, WorkTagFwd>;
+  using value_type = typename Analysis::value_type;
+  using pointer_type = typename Analysis::pointer_type;
+  using reference_type = typename Analysis::reference_type;
+
+  const FunctorType m_functor;
+  const Policy m_policy;
+  const ReducerType m_reducer;
+  const pointer_type m_result_ptr;
+
+  bool m_force_synchronous;
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Member i,
+                      reference_type update) {
+    functor(i, update);
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Member i,
+                      reference_type update) {
+    const TagType t{};
+    functor(t, i, update);
+  }
+
+  template <class TagType>
+  inline typename std::enable_if<std::is_same<TagType, void>::value>::type
+  execute_functor_range(reference_type update, const Member i_begin,
+                        const Member i_end) const {
+    for (Member i = i_begin; i < i_end; ++i) {
+      m_functor(i, update);
+    }
+  }
+
+  template <class TagType>
+  inline typename std::enable_if<!std::is_same<TagType, void>::value>::type
+  execute_functor_range(reference_type update, const Member i_begin,
+                        const Member i_end) const {
+    const TagType t{};
+
+    for (Member i = i_begin; i < i_end; ++i) {
+      m_functor(t, i, update);
+    }
+  }
+
+  class value_type_wrapper {
+  private:
+    std::size_t m_value_size;
+    char *m_value_buffer;
+
+  public:
+    value_type_wrapper() : m_value_size(0), m_value_buffer(nullptr) {}
+
+    value_type_wrapper(const std::size_t value_size)
+        : m_value_size(value_size), m_value_buffer(new char[m_value_size]) {}
+
+    value_type_wrapper(const value_type_wrapper &other)
+        : m_value_size(0), m_value_buffer(nullptr) {
+      if (this != &other) {
+        m_value_buffer = new char[other.m_value_size];
+        m_value_size = other.m_value_size;
+
+        std::copy(other.m_value_buffer, other.m_value_buffer + m_value_size,
+                  m_value_buffer);
+      }
+    }
+
+    ~value_type_wrapper() { delete[] m_value_buffer; }
+
+    value_type_wrapper(value_type_wrapper &&other)
+        : m_value_size(0), m_value_buffer(nullptr) {
+      if (this != &other) {
+        m_value_buffer = other.m_value_buffer;
+        m_value_size = other.m_value_size;
+
+        other.m_value_buffer = nullptr;
+        other.m_value_size = 0;
+      }
+    }
+
+    value_type_wrapper &operator=(const value_type_wrapper &other) {
+      if (this != &other) {
+        delete[] m_value_buffer;
+        m_value_buffer = new char[other.m_value_size];
+        m_value_size = other.m_value_size;
+
+        std::copy(other.m_value_buffer, other.m_value_buffer + m_value_size,
+                  m_value_buffer);
+      }
+
+      return *this;
+    }
+
+    value_type_wrapper &operator=(value_type_wrapper &&other) {
+      if (this != &other) {
+        delete[] m_value_buffer;
+        m_value_buffer = other.m_value_buffer;
+        m_value_size = other.m_value_size;
+
+        other.m_value_buffer = nullptr;
+        other.m_value_size = 0;
+      }
+
+      return *this;
+    }
+
+    pointer_type pointer() const {
+      return reinterpret_cast<pointer_type>(m_value_buffer);
+    }
+
+    reference_type reference() const {
+      return ValueOps::reference(
+          reinterpret_cast<pointer_type>(m_value_buffer));
+    }
+  };
+
+public:
+  void execute() const {
+    dispatch_execute_task(this);
+  }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+
+    std::size_t value_size =
+        Analysis::value_size(ReducerConditional::select(m_functor, m_reducer));
+
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    // NOTE: This version makes the most use of HPX functionality, but
+    // requires the struct value_type_wrapper to handle different
+    // reference_types. It is also significantly slower than the version
+    // below due to not reusing the buffer used by other functions.
+    using hpx::parallel::reduction;
+    using hpx::parallel::execution::static_chunk_size;
+
+    value_type_wrapper final_value(value_size);
+    value_type_wrapper identity(value_size);
+
+    ValueInit::init(ReducerConditional::select(m_functor, m_reducer),
+                    final_value.pointer());
+    ValueInit::init(ReducerConditional::select(m_functor, m_reducer),
+                    identity.pointer());
+
+    for_loop(par.with(static_chunk_size(m_policy.chunk_size())),
+             m_policy.begin(), m_policy.end(),
+             reduction(final_value, identity,
+                       [this](value_type_wrapper &a,
+                              value_type_wrapper &b) -> value_type_wrapper & {
+                         ValueJoin::join(
+                             ReducerConditional::select(m_functor, m_reducer),
+                             a.pointer(), b.pointer());
+                         return a;
+                       }),
+             [this](Member i, value_type_wrapper &update) {
+               execute_functor<WorkTag>(m_functor, i, update.reference());
+             });
+
+    pointer_type final_value_ptr = final_value.pointer();
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, value_size);
+
+    for_loop(par, 0, num_worker_threads, [this, &buffer](std::size_t t) {
+      ValueInit::init(ReducerConditional::select(m_functor, m_reducer),
+                      reinterpret_cast<pointer_type>(buffer.get(t)));
+    });
+
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (Member i_begin = m_policy.begin(); i_begin < m_policy.end();
+         i_begin += m_policy.chunk_size()) {
+      apply([this, &buffer, &sem, i_begin]() {
+        reference_type update =
+            ValueOps::reference(reinterpret_cast<pointer_type>(
+                buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id())));
+        const Member i_end =
+            (std::min)(i_begin + m_policy.chunk_size(), m_policy.end());
+        execute_functor_range<WorkTag>(update, i_begin, i_end);
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+
+    for (int i = 1; i < num_worker_threads; ++i) {
+      ValueJoin::join(ReducerConditional::select(m_functor, m_reducer),
+                      reinterpret_cast<pointer_type>(buffer.get(0)),
+                      reinterpret_cast<pointer_type>(buffer.get(i)));
+    }
+
+    pointer_type final_value_ptr =
+        reinterpret_cast<pointer_type>(buffer.get(0));
+#endif
+
+    Kokkos::Impl::FunctorFinal<ReducerTypeFwd, WorkTagFwd>::final(
+        ReducerConditional::select(m_functor, m_reducer), final_value_ptr);
+
+    if (m_result_ptr != nullptr) {
+      const int n = Analysis::value_count(
+          ReducerConditional::select(m_functor, m_reducer));
+
+      for (int j = 0; j < n; ++j) {
+        m_result_ptr[j] = final_value_ptr[j];
+      }
+    }
+  }
+
+  template <class ViewType>
+  inline ParallelReduce(
+      const FunctorType &arg_functor, Policy arg_policy,
+      const ViewType &arg_view,
+      typename std::enable_if<Kokkos::is_view<ViewType>::value &&
+                                  !Kokkos::is_reducer_type<ReducerType>::value,
+                              void *>::type = NULL)
+      : m_functor(arg_functor), m_policy(arg_policy), m_reducer(InvalidType()),
+        m_result_ptr(arg_view.data()),
+        m_force_synchronous(!arg_view.impl_track().has_record()) {}
+
+  inline ParallelReduce(const FunctorType &arg_functor, Policy arg_policy,
+                        const ReducerType &reducer)
+      : m_functor(arg_functor), m_policy(arg_policy), m_reducer(reducer),
+        m_result_ptr(reducer.view().data()),
+        m_force_synchronous(!reducer.view().impl_track().has_record()) {}
+};
+
+template <class FunctorType, class ReducerType, class... Traits>
+class ParallelReduce<FunctorType, Kokkos::MDRangePolicy<Traits...>, ReducerType,
+                     Kokkos::Experimental::HPX> {
+private:
+  using MDRangePolicy = Kokkos::MDRangePolicy<Traits...>;
+  using Policy = typename MDRangePolicy::impl_range_policy;
+  using WorkTag = typename MDRangePolicy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+  using Analysis = FunctorAnalysis<FunctorPatternInterface::REDUCE,
+                                   MDRangePolicy, FunctorType>;
+  using ReducerConditional =
+      Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                         FunctorType, ReducerType>;
+  using ReducerTypeFwd = typename ReducerConditional::type;
+  using WorkTagFwd =
+      typename Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                                  WorkTag, void>::type;
+  using ValueInit = Kokkos::Impl::FunctorValueInit<ReducerTypeFwd, WorkTagFwd>;
+  using ValueJoin = Kokkos::Impl::FunctorValueJoin<ReducerTypeFwd, WorkTagFwd>;
+  using ValueOps = Kokkos::Impl::FunctorValueOps<ReducerTypeFwd, WorkTagFwd>;
+  using pointer_type = typename Analysis::pointer_type;
+  using value_type = typename Analysis::value_type;
+  using reference_type = typename Analysis::reference_type;
+  using iterate_type =
+      typename Kokkos::Impl::HostIterateTile<MDRangePolicy, FunctorType,
+                                             WorkTag, reference_type>;
+
+  const FunctorType m_functor;
+  const MDRangePolicy m_mdr_policy;
+  const Policy m_policy;
+  const ReducerType m_reducer;
+  const pointer_type m_result_ptr;
+
+  bool m_force_synchronous;
+
+public:
+  void execute() const {
+    dispatch_execute_task(this);
+  }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+    const std::size_t value_size =
+        Analysis::value_size(ReducerConditional::select(m_functor, m_reducer));
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, value_size);
+
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+
+    for_loop(par, 0, num_worker_threads, [this, &buffer](std::size_t t) {
+      ValueInit::init(ReducerConditional::select(m_functor, m_reducer),
+                      reinterpret_cast<pointer_type>(buffer.get(t)));
+    });
+
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    using hpx::parallel::execution::static_chunk_size;
+
+    for_loop(par.with(static_chunk_size(m_policy.chunk_size())),
+             m_policy.begin(), m_policy.end(), [this, &buffer](const Member i) {
+               reference_type update = ValueOps::reference(
+                   reinterpret_cast<pointer_type>(buffer.get(
+                       Kokkos::Experimental::HPX::impl_hardware_thread_id())));
+               iterate_type(m_mdr_policy, m_functor, update)(i);
+             });
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (Member i_begin = m_policy.begin(); i_begin < m_policy.end();
+         i_begin += m_policy.chunk_size()) {
+      apply([this, &buffer, &sem, i_begin]() {
+        reference_type update =
+            ValueOps::reference(reinterpret_cast<pointer_type>(
+                buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id())));
+        const Member i_end =
+            (std::min)(i_begin + m_policy.chunk_size(), m_policy.end());
+
+        for (Member i = i_begin; i < i_end; ++i) {
+          iterate_type(m_mdr_policy, m_functor, update)(i);
+        }
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+#endif
+
+    for (int i = 1; i < num_worker_threads; ++i) {
+      ValueJoin::join(ReducerConditional::select(m_functor, m_reducer),
+                      reinterpret_cast<pointer_type>(buffer.get(0)),
+                      reinterpret_cast<pointer_type>(buffer.get(i)));
+    }
+
+    Kokkos::Impl::FunctorFinal<ReducerTypeFwd, WorkTagFwd>::final(
+        ReducerConditional::select(m_functor, m_reducer),
+        reinterpret_cast<pointer_type>(buffer.get(0)));
+
+    if (m_result_ptr != nullptr) {
+      const int n = Analysis::value_count(
+          ReducerConditional::select(m_functor, m_reducer));
+
+      for (int j = 0; j < n; ++j) {
+        m_result_ptr[j] = reinterpret_cast<pointer_type>(buffer.get(0))[j];
+      }
+    }
+  }
+
+  template <class ViewType>
+  inline ParallelReduce(
+      const FunctorType &arg_functor, MDRangePolicy arg_policy,
+      const ViewType &arg_view,
+      typename std::enable_if<Kokkos::is_view<ViewType>::value &&
+                                  !Kokkos::is_reducer_type<ReducerType>::value,
+                              void *>::type = NULL)
+      : m_functor(arg_functor), m_mdr_policy(arg_policy),
+        m_policy(Policy(0, m_mdr_policy.m_num_tiles).set_chunk_size(1)),
+        m_reducer(InvalidType()), m_result_ptr(arg_view.data()),
+        m_force_synchronous(!arg_view.impl_track().has_record()) {}
+
+  inline ParallelReduce(const FunctorType &arg_functor,
+                        MDRangePolicy arg_policy, const ReducerType &reducer)
+      : m_functor(arg_functor), m_mdr_policy(arg_policy),
+        m_policy(Policy(0, m_mdr_policy.m_num_tiles).set_chunk_size(1)),
+        m_reducer(reducer), m_result_ptr(reducer.view().data()),
+        m_force_synchronous(!reducer.view().impl_track().has_record()) {}
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+
+template <class FunctorType, class... Traits>
+class ParallelScan<FunctorType, Kokkos::RangePolicy<Traits...>,
+                   Kokkos::Experimental::HPX> {
+private:
+  using Policy = Kokkos::RangePolicy<Traits...>;
+  using WorkTag = typename Policy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+  using Analysis =
+      FunctorAnalysis<FunctorPatternInterface::SCAN, Policy, FunctorType>;
+  using ValueInit = Kokkos::Impl::FunctorValueInit<FunctorType, WorkTag>;
+  using ValueJoin = Kokkos::Impl::FunctorValueJoin<FunctorType, WorkTag>;
+  using ValueOps = Kokkos::Impl::FunctorValueOps<FunctorType, WorkTag>;
+  using pointer_type = typename Analysis::pointer_type;
+  using reference_type = typename Analysis::reference_type;
+  using value_type = typename Analysis::value_type;
+
+  const FunctorType m_functor;
+  const Policy m_policy;
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Member i_begin,
+                            const Member i_end, reference_type update,
+                            const bool final) {
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(i, update, final);
+    }
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Member i_begin,
+                            const Member i_end, reference_type update,
+                            const bool final) {
+    const TagType t{};
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(t, i, update, final);
+    }
+  }
+
+public:
+  void execute() const { dispatch_execute_task(this); }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+    const int value_count = Analysis::value_count(m_functor);
+    const std::size_t value_size = Analysis::value_size(m_functor);
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, 2 * value_size);
+
+    using hpx::lcos::local::barrier;
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+    using hpx::parallel::execution::static_chunk_size;
+
+    barrier bar(num_worker_threads);
+
+    for_loop(par.with(static_chunk_size(1)), 0, num_worker_threads,
+             [this, &buffer, &bar, num_worker_threads, value_count,
+              value_size](std::size_t const t) {
+               reference_type update_sum = ValueInit::init(
+                   m_functor, reinterpret_cast<pointer_type>(buffer.get(t)));
+
+               const WorkRange range(m_policy, t, num_worker_threads);
+               execute_functor_range<WorkTag>(m_functor, range.begin(),
+                                              range.end(), update_sum, false);
+
+               bar.wait();
+
+               if (t == 0) {
+                 ValueInit::init(m_functor, reinterpret_cast<pointer_type>(
+                                                buffer.get(0) + value_size));
+
+                 for (int i = 1; i < num_worker_threads; ++i) {
+                   pointer_type ptr_1_prev =
+                       reinterpret_cast<pointer_type>(buffer.get(i - 1));
+                   pointer_type ptr_2_prev = reinterpret_cast<pointer_type>(
+                       buffer.get(i - 1) + value_size);
+                   pointer_type ptr_2 = reinterpret_cast<pointer_type>(
+                       buffer.get(i) + value_size);
+
+                   for (int j = 0; j < value_count; ++j) {
+                     ptr_2[j] = ptr_2_prev[j];
+                   }
+
+                   ValueJoin::join(m_functor, ptr_2, ptr_1_prev);
+                 }
+               }
+
+               bar.wait();
+
+               reference_type update_base = ValueOps::reference(
+                   reinterpret_cast<pointer_type>(buffer.get(t) + value_size));
+
+               execute_functor_range<WorkTag>(m_functor, range.begin(),
+                                              range.end(), update_base, true);
+             });
+  }
+
+  inline ParallelScan(const FunctorType &arg_functor, const Policy &arg_policy)
+      : m_functor(arg_functor), m_policy(arg_policy) {}
+};
+
+template <class FunctorType, class ReturnType, class... Traits>
+class ParallelScanWithTotal<FunctorType, Kokkos::RangePolicy<Traits...>,
+                            ReturnType, Kokkos::Experimental::HPX> {
+private:
+  using Policy = Kokkos::RangePolicy<Traits...>;
+  using WorkTag = typename Policy::work_tag;
+  using WorkRange = typename Policy::WorkRange;
+  using Member = typename Policy::member_type;
+  using Analysis =
+      FunctorAnalysis<FunctorPatternInterface::SCAN, Policy, FunctorType>;
+  using ValueInit = Kokkos::Impl::FunctorValueInit<FunctorType, WorkTag>;
+  using ValueJoin = Kokkos::Impl::FunctorValueJoin<FunctorType, WorkTag>;
+  using ValueOps = Kokkos::Impl::FunctorValueOps<FunctorType, WorkTag>;
+  using pointer_type = typename Analysis::pointer_type;
+  using reference_type = typename Analysis::reference_type;
+  using value_type = typename Analysis::value_type;
+
+  const FunctorType m_functor;
+  const Policy m_policy;
+  ReturnType &m_returnvalue;
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Member i_begin,
+                            const Member i_end, reference_type update,
+                            const bool final) {
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(i, update, final);
+    }
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Member i_begin,
+                            const Member i_end, reference_type update,
+                            const bool final) {
+    const TagType t{};
+    for (Member i = i_begin; i < i_end; ++i) {
+      functor(t, i, update, final);
+    }
+  }
+
+public:
+  void execute() const { dispatch_execute_task(this); }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+    const int value_count = Analysis::value_count(m_functor);
+    const std::size_t value_size = Analysis::value_size(m_functor);
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, 2 * value_size);
+
+    using hpx::lcos::local::barrier;
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+    using hpx::parallel::execution::static_chunk_size;
+
+    barrier bar(num_worker_threads);
+
+    for_loop(par.with(static_chunk_size(1)), 0, num_worker_threads,
+             [this, &buffer, &bar, num_worker_threads, value_count,
+              value_size](std::size_t const t) {
+               reference_type update_sum = ValueInit::init(
+                   m_functor, reinterpret_cast<pointer_type>(buffer.get(t)));
+
+               const WorkRange range(m_policy, t, num_worker_threads);
+               execute_functor_range<WorkTag>(m_functor, range.begin(),
+                                              range.end(), update_sum, false);
+
+               bar.wait();
+
+               if (t == 0) {
+                 ValueInit::init(m_functor, reinterpret_cast<pointer_type>(
+                                                buffer.get(0) + value_size));
+
+                 for (int i = 1; i < num_worker_threads; ++i) {
+                   pointer_type ptr_1_prev =
+                       reinterpret_cast<pointer_type>(buffer.get(i - 1));
+                   pointer_type ptr_2_prev = reinterpret_cast<pointer_type>(
+                       buffer.get(i - 1) + value_size);
+                   pointer_type ptr_2 = reinterpret_cast<pointer_type>(
+                       buffer.get(i) + value_size);
+
+                   for (int j = 0; j < value_count; ++j) {
+                     ptr_2[j] = ptr_2_prev[j];
+                   }
+
+                   ValueJoin::join(m_functor, ptr_2, ptr_1_prev);
+                 }
+               }
+
+               bar.wait();
+
+               reference_type update_base = ValueOps::reference(
+                   reinterpret_cast<pointer_type>(buffer.get(t) + value_size));
+
+               execute_functor_range<WorkTag>(m_functor, range.begin(),
+                                              range.end(), update_base, true);
+
+               if (t == std::size_t(num_worker_threads - 1)) {
+                 m_returnvalue = update_base;
+               }
+             });
+  }
+
+  inline ParallelScanWithTotal(const FunctorType &arg_functor,
+                               const Policy &arg_policy,
+                               ReturnType &arg_returnvalue)
+      : m_functor(arg_functor), m_policy(arg_policy),
+        m_returnvalue(arg_returnvalue) {}
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+namespace Impl {
+template <class FunctorType, class... Properties>
+class ParallelFor<FunctorType, Kokkos::TeamPolicy<Properties...>,
+                  Kokkos::Experimental::HPX> {
+private:
+  using Policy = TeamPolicyInternal<Kokkos::Experimental::HPX, Properties...>;
+  using WorkTag = typename Policy::work_tag;
+  using Member = typename Policy::member_type;
+  using memory_space = Kokkos::HostSpace;
+
+  const FunctorType m_functor;
+  const Policy m_policy;
+  const int m_league;
+  const std::size_t m_shared;
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Policy &policy,
+                      const int league_rank, char *local_buffer,
+                      const std::size_t local_buffer_size) {
+    functor(Member(policy, 0, league_rank, local_buffer, local_buffer_size));
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Policy &policy,
+                      const int league_rank, char *local_buffer,
+                      const std::size_t local_buffer_size) {
+    const TagType t{};
+    functor(t, Member(policy, 0, league_rank, local_buffer, local_buffer_size));
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Policy &policy,
+                            const int league_rank_begin,
+                            const int league_rank_end, char *local_buffer,
+                            const std::size_t local_buffer_size) {
+    for (int league_rank = league_rank_begin; league_rank < league_rank_end;
+         ++league_rank) {
+      functor(Member(policy, 0, league_rank, local_buffer, local_buffer_size));
+    }
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Policy &policy,
+                            const int league_rank_begin,
+                            const int league_rank_end, char *local_buffer,
+                            const std::size_t local_buffer_size) {
+    const TagType t{};
+    for (int league_rank = league_rank_begin; league_rank < league_rank_end;
+         ++league_rank) {
+      functor(t,
+              Member(policy, 0, league_rank, local_buffer, local_buffer_size));
+    }
+  }
+
+public:
+  void execute() const { dispatch_execute_task(this); }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, m_shared);
+
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+    using hpx::parallel::execution::static_chunk_size;
+
+    for_loop(par.with(static_chunk_size(m_policy.chunk_size())), 0,
+             m_policy.league_size(), [this, &buffer](const int league_rank) {
+               execute_functor<WorkTag>(
+                   m_functor, m_policy, league_rank,
+                   buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id()),
+                   m_shared);
+             });
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (int league_rank_begin = 0; league_rank_begin < m_policy.league_size();
+         league_rank_begin += m_policy.chunk_size()) {
+      apply([this, &buffer, &sem, league_rank_begin]() {
+        const int league_rank_end = (std::min)(
+            league_rank_begin + m_policy.chunk_size(), m_policy.league_size());
+        execute_functor_range<WorkTag>(
+            m_functor, m_policy, league_rank_begin, league_rank_end,
+            buffer.get(Kokkos::Experimental::HPX::impl_hardware_thread_id()), m_shared);
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+#endif
+  }
+
+  ParallelFor(const FunctorType &arg_functor, const Policy &arg_policy)
+      : m_functor(arg_functor), m_policy(arg_policy),
+        m_league(arg_policy.league_size()),
+        m_shared(arg_policy.scratch_size(0) + arg_policy.scratch_size(1) +
+                 FunctorTeamShmemSize<FunctorType>::value(
+                     arg_functor, arg_policy.team_size())) {}
+};
+
+template <class FunctorType, class ReducerType, class... Properties>
+class ParallelReduce<FunctorType, Kokkos::TeamPolicy<Properties...>,
+                     ReducerType, Kokkos::Experimental::HPX> {
+private:
+  using Policy = TeamPolicyInternal<Kokkos::Experimental::HPX, Properties...>;
+  using Analysis =
+      FunctorAnalysis<FunctorPatternInterface::REDUCE, Policy, FunctorType>;
+  using Member = typename Policy::member_type;
+  using WorkTag = typename Policy::work_tag;
+  using ReducerConditional =
+      Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                         FunctorType, ReducerType>;
+  using ReducerTypeFwd = typename ReducerConditional::type;
+  using WorkTagFwd =
+      typename Kokkos::Impl::if_c<std::is_same<InvalidType, ReducerType>::value,
+                                  WorkTag, void>::type;
+  using ValueInit = Kokkos::Impl::FunctorValueInit<ReducerTypeFwd, WorkTagFwd>;
+  using ValueJoin = Kokkos::Impl::FunctorValueJoin<ReducerTypeFwd, WorkTagFwd>;
+  using ValueOps = Kokkos::Impl::FunctorValueOps<ReducerTypeFwd, WorkTagFwd>;
+  using pointer_type = typename Analysis::pointer_type;
+  using reference_type = typename Analysis::reference_type;
+  using value_type = typename Analysis::value_type;
+
+  const FunctorType m_functor;
+  const int m_league;
+  const Policy m_policy;
+  const ReducerType m_reducer;
+  pointer_type m_result_ptr;
+  const std::size_t m_shared;
+
+  bool m_force_synchronous;
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Policy &policy,
+                      const int league_rank, char *local_buffer,
+                      const std::size_t local_buffer_size,
+                      reference_type update) {
+    functor(Member(policy, 0, league_rank, local_buffer, local_buffer_size),
+            update);
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor(const FunctorType &functor, const Policy &policy,
+                      const int league_rank, char *local_buffer,
+                      const std::size_t local_buffer_size,
+                      reference_type update) {
+    const TagType t{};
+    functor(t, Member(policy, 0, league_rank, local_buffer, local_buffer_size),
+            update);
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Policy &policy,
+                            const int league_rank_begin,
+                            const int league_rank_end, char *local_buffer,
+                            const std::size_t local_buffer_size,
+                            reference_type update) {
+    for (int league_rank = league_rank_begin; league_rank < league_rank_end;
+         ++league_rank) {
+      functor(Member(policy, 0, league_rank, local_buffer, local_buffer_size),
+              update);
+    }
+  }
+
+  template <class TagType>
+  inline static
+      typename std::enable_if<!std::is_same<TagType, void>::value>::type
+      execute_functor_range(const FunctorType &functor, const Policy &policy,
+                            const int league_rank_begin,
+                            const int league_rank_end, char *local_buffer,
+                            const std::size_t local_buffer_size,
+                            reference_type update) {
+    const TagType t{};
+    for (int league_rank = league_rank_begin; league_rank < league_rank_end;
+         ++league_rank) {
+      functor(t,
+              Member(policy, 0, league_rank, local_buffer, local_buffer_size),
+              update);
+    }
+  }
+
+public:
+  void execute() const {
+    dispatch_execute_task(this);
+  }
+
+  inline void execute_task() const {
+    const int num_worker_threads = Kokkos::Experimental::HPX::concurrency();
+    const std::size_t value_size =
+        Analysis::value_size(ReducerConditional::select(m_functor, m_reducer));
+
+    thread_buffer &buffer = Kokkos::Experimental::HPX::impl_get_buffer();
+    buffer.resize(num_worker_threads, value_size + m_shared);
+
+    using hpx::parallel::for_loop;
+    using hpx::parallel::execution::par;
+
+    for_loop(par, 0, num_worker_threads, [this, &buffer](std::size_t t) {
+      ValueInit::init(ReducerConditional::select(m_functor, m_reducer),
+                      reinterpret_cast<pointer_type>(buffer.get(t)));
+    });
+
+#if KOKKOS_HPX_IMPLEMENTATION == 0
+    using hpx::parallel::execution::static_chunk_size;
+
+    hpx::parallel::for_loop(
+        par.with(static_chunk_size(m_policy.chunk_size())), 0,
+        m_policy.league_size(),
+        [this, &buffer, value_size](const int league_rank) {
+          std::size_t t = Kokkos::Experimental::HPX::impl_hardware_thread_id();
+          reference_type update = ValueOps::reference(
+              reinterpret_cast<pointer_type>(buffer.get(t)));
+
+          execute_functor<WorkTag>(m_functor, m_policy, league_rank,
+                                   buffer.get(t) + value_size, m_shared,
+                                   update);
+        });
+
+#elif KOKKOS_HPX_IMPLEMENTATION == 1
+    using hpx::apply;
+    using hpx::lcos::local::counting_semaphore;
+
+    counting_semaphore sem(0);
+    std::size_t num_tasks = 0;
+
+    for (int league_rank_begin = 0; league_rank_begin < m_policy.league_size();
+         league_rank_begin += m_policy.chunk_size()) {
+      apply([this, &buffer, &sem, league_rank_begin, value_size]() {
+        std::size_t t = Kokkos::Experimental::HPX::impl_hardware_thread_id();
+        reference_type update =
+            ValueOps::reference(reinterpret_cast<pointer_type>(buffer.get(t)));
+        const int league_rank_end = (std::min)(
+            league_rank_begin + m_policy.chunk_size(), m_policy.league_size());
+        execute_functor_range<WorkTag>(
+            m_functor, m_policy, league_rank_begin, league_rank_end,
+            buffer.get(t) + value_size, m_shared, update);
+
+        sem.signal(1);
+      });
+
+      ++num_tasks;
+    }
+
+    sem.wait(num_tasks);
+#endif
+
+    const pointer_type ptr = reinterpret_cast<pointer_type>(buffer.get(0));
+    for (int t = 1; t < num_worker_threads; ++t) {
+      ValueJoin::join(ReducerConditional::select(m_functor, m_reducer), ptr,
+                      reinterpret_cast<pointer_type>(buffer.get(t)));
+    }
+
+    Kokkos::Impl::FunctorFinal<ReducerTypeFwd, WorkTagFwd>::final(
+        ReducerConditional::select(m_functor, m_reducer), ptr);
+
+    if (m_result_ptr) {
+      const int n = Analysis::value_count(
+          ReducerConditional::select(m_functor, m_reducer));
+
+      for (int j = 0; j < n; ++j) {
+        m_result_ptr[j] = ptr[j];
+      }
+    }
+  }
+
+  template <class ViewType>
+  ParallelReduce(
+      const FunctorType &arg_functor, const Policy &arg_policy,
+      const ViewType &arg_result,
+      typename std::enable_if<Kokkos::is_view<ViewType>::value &&
+                                  !Kokkos::is_reducer_type<ReducerType>::value,
+                              void *>::type = NULL)
+      : m_functor(arg_functor), m_league(arg_policy.league_size()),
+        m_policy(arg_policy), m_reducer(InvalidType()),
+        m_result_ptr(arg_result.data()),
+        m_shared(arg_policy.scratch_size(0) + arg_policy.scratch_size(1) +
+                 FunctorTeamShmemSize<FunctorType>::value(
+                     m_functor, arg_policy.team_size())),
+        m_force_synchronous(!arg_result.impl_track().has_record()) {}
+
+  inline ParallelReduce(const FunctorType &arg_functor, Policy arg_policy,
+                        const ReducerType &reducer)
+      : m_functor(arg_functor), m_league(arg_policy.league_size()),
+        m_policy(arg_policy), m_reducer(reducer),
+        m_result_ptr(reducer.view().data()),
+        m_shared(arg_policy.scratch_size(0) + arg_policy.scratch_size(1) +
+                 FunctorTeamShmemSize<FunctorType>::value(
+                     arg_functor, arg_policy.team_size())),
+        m_force_synchronous(!reducer.view().impl_track().has_record()) {}
+};
+} // namespace Impl
+} // namespace Kokkos
+
+namespace Kokkos {
+
+template <typename iType>
+KOKKOS_INLINE_FUNCTION
+    Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+    TeamThreadRange(const Impl::HPXTeamMember &thread, const iType &count) {
+  return Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, count);
+}
+
+template <typename iType1, typename iType2>
+KOKKOS_INLINE_FUNCTION Impl::TeamThreadRangeBoundariesStruct<
+    typename std::common_type<iType1, iType2>::type, Impl::HPXTeamMember>
+TeamThreadRange(const Impl::HPXTeamMember &thread, const iType1 &i_begin,
+                const iType2 &i_end) {
+  using iType = typename std::common_type<iType1, iType2>::type;
+  return Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, iType(i_begin), iType(i_end));
+}
+
+template <typename iType>
+KOKKOS_INLINE_FUNCTION
+    Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+    TeamVectorRange(const Impl::HPXTeamMember &thread, const iType &count) {
+  return Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, count);
+}
+
+template <typename iType1, typename iType2>
+KOKKOS_INLINE_FUNCTION Impl::TeamThreadRangeBoundariesStruct<
+    typename std::common_type<iType1, iType2>::type, Impl::HPXTeamMember>
+TeamVectorRange(const Impl::HPXTeamMember &thread, const iType1 &i_begin,
+                const iType2 &i_end) {
+  using iType = typename std::common_type<iType1, iType2>::type;
+  return Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, iType(i_begin), iType(i_end));
+}
+
+template <typename iType>
+KOKKOS_INLINE_FUNCTION
+    Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+    ThreadVectorRange(const Impl::HPXTeamMember &thread, const iType &count) {
+  return Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, count);
+}
+
+template <typename iType>
+KOKKOS_INLINE_FUNCTION
+    Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+    ThreadVectorRange(const Impl::HPXTeamMember &thread, const iType &i_begin,
+                      const iType &i_end) {
+  return Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>(
+      thread, i_begin, i_end);
+}
+
+KOKKOS_INLINE_FUNCTION
+Impl::ThreadSingleStruct<Impl::HPXTeamMember>
+PerTeam(const Impl::HPXTeamMember &thread) {
+  return Impl::ThreadSingleStruct<Impl::HPXTeamMember>(thread);
+}
+
+KOKKOS_INLINE_FUNCTION
+Impl::VectorSingleStruct<Impl::HPXTeamMember>
+PerThread(const Impl::HPXTeamMember &thread) {
+  return Impl::VectorSingleStruct<Impl::HPXTeamMember>(thread);
+}
+
+/** \brief  Inter-thread parallel_for. Executes lambda(iType i) for each
+ * i=0..N-1.
+ *
+ * The range i=0..N-1 is mapped to all threads of the the calling thread team.
+ * This functionality requires C++11 support.*/
+template <typename iType, class Lambda>
+KOKKOS_INLINE_FUNCTION void parallel_for(
+    const Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda) {
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment)
+    lambda(i);
+}
+
+/** \brief  Inter-thread vector parallel_reduce. Executes lambda(iType i,
+ * ValueType & val) for each i=0..N-1.
+ *
+ * The range i=0..N-1 is mapped to all threads of the the calling thread team
+ * and a summation of val is performed and put into result. This functionality
+ * requires C++11 support.*/
+template <typename iType, class Lambda, typename ValueType>
+KOKKOS_INLINE_FUNCTION void parallel_reduce(
+    const Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda, ValueType &result) {
+  result = ValueType();
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, result);
+  }
+}
+
+/** \brief  Intra-thread vector parallel_for. Executes lambda(iType i) for each
+ * i=0..N-1.
+ *
+ * The range i=0..N-1 is mapped to all vector lanes of the the calling thread.
+ * This functionality requires C++11 support.*/
+template <typename iType, class Lambda>
+KOKKOS_INLINE_FUNCTION void parallel_for(
+    const Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda) {
+#ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
+#pragma ivdep
+#endif
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i);
+  }
+}
+
+/** \brief  Intra-thread vector parallel_reduce. Executes lambda(iType i,
+ * ValueType & val) for each i=0..N-1.
+ *
+ * The range i=0..N-1 is mapped to all vector lanes of the the calling thread
+ * and a summation of val is performed and put into result. This functionality
+ * requires C++11 support.*/
+template <typename iType, class Lambda, typename ValueType>
+KOKKOS_INLINE_FUNCTION void parallel_reduce(
+    const Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda, ValueType &result) {
+  result = ValueType();
+#ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
+#pragma ivdep
+#endif
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, result);
+  }
+}
+
+template <typename iType, class Lambda, typename ReducerType>
+KOKKOS_INLINE_FUNCTION void parallel_reduce(
+    const Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda, const ReducerType &reducer) {
+  reducer.init(reducer.reference());
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, reducer.reference());
+  }
+}
+
+template <typename iType, class Lambda, typename ReducerType>
+KOKKOS_INLINE_FUNCTION void parallel_reduce(
+    const Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const Lambda &lambda, const ReducerType &reducer) {
+  reducer.init(reducer.reference());
+#ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
+#pragma ivdep
+#endif
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, reducer.reference());
+  }
+}
+
+template <typename iType, class FunctorType>
+KOKKOS_INLINE_FUNCTION void parallel_scan(
+    Impl::TeamThreadRangeBoundariesStruct<iType, Impl::HPXTeamMember> const
+        &loop_boundaries,
+    const FunctorType &lambda) {
+  using value_type = typename Kokkos::Impl::FunctorAnalysis<
+      Kokkos::Impl::FunctorPatternInterface::SCAN, void,
+      FunctorType>::value_type;
+
+  value_type scan_val = value_type();
+
+  // Intra-member scan
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, scan_val, false);
+  }
+
+  // 'scan_val' output is the exclusive prefix sum
+  scan_val = loop_boundaries.thread.team_scan(scan_val);
+
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, scan_val, true);
+  }
+}
+
+/** \brief  Intra-thread vector parallel exclusive prefix sum. Executes
+ * lambda(iType i, ValueType & val, bool final) for each i=0..N-1.
+ *
+ * The range i=0..N-1 is mapped to all vector lanes in the thread and a scan
+ * operation is performed. Depending on the target execution space the operator
+ * might be called twice: once with final=false and once with final=true. When
+ * final==true val contains the prefix sum value. The contribution of this "i"
+ * needs to be added to val no matter whether final==true or not. In a serial
+ * execution (i.e. team_size==1) the operator is only called once with
+ * final==true. Scan_val will be set to the final sum value over all vector
+ * lanes. This functionality requires C++11 support.*/
+template <typename iType, class FunctorType>
+KOKKOS_INLINE_FUNCTION void parallel_scan(
+    const Impl::ThreadVectorRangeBoundariesStruct<iType, Impl::HPXTeamMember>
+        &loop_boundaries,
+    const FunctorType &lambda) {
+  using ValueTraits = Kokkos::Impl::FunctorValueTraits<FunctorType, void>;
+  using value_type = typename ValueTraits::value_type;
+
+  value_type scan_val = value_type();
+
+#ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
+#pragma ivdep
+#endif
+  for (iType i = loop_boundaries.start; i < loop_boundaries.end;
+       i += loop_boundaries.increment) {
+    lambda(i, scan_val, true);
+  }
+}
+
+template <class FunctorType>
+KOKKOS_INLINE_FUNCTION void
+single(const Impl::VectorSingleStruct<Impl::HPXTeamMember> &single_struct,
+       const FunctorType &lambda) {
+  lambda();
+}
+
+template <class FunctorType>
+KOKKOS_INLINE_FUNCTION void
+single(const Impl::ThreadSingleStruct<Impl::HPXTeamMember> &single_struct,
+       const FunctorType &lambda) {
+  lambda();
+}
+
+template <class FunctorType, class ValueType>
+KOKKOS_INLINE_FUNCTION void
+single(const Impl::VectorSingleStruct<Impl::HPXTeamMember> &single_struct,
+       const FunctorType &lambda, ValueType &val) {
+  lambda(val);
+}
+
+template <class FunctorType, class ValueType>
+KOKKOS_INLINE_FUNCTION void
+single(const Impl::ThreadSingleStruct<Impl::HPXTeamMember> &single_struct,
+       const FunctorType &lambda, ValueType &val) {
+  lambda(val);
+}
+
+} // namespace Kokkos
+
+#include <HPX/Kokkos_HPX_Task.hpp>
+
+#endif /* #if defined( KOKKOS_ENABLE_HPX ) */
+#endif /* #ifndef KOKKOS_HPX_HPP */
diff --git a/lib/kokkos/core/src/Kokkos_HostSpace.hpp b/lib/kokkos/core/src/Kokkos_HostSpace.hpp
index 3fd55d91481309a1f35f97d6ef29c326b9bdcb2c..921ba0df34233adff55da6074efc05ad3f97ab83 100644
--- a/lib/kokkos/core/src/Kokkos_HostSpace.hpp
+++ b/lib/kokkos/core/src/Kokkos_HostSpace.hpp
@@ -57,6 +57,8 @@
 #include <impl/Kokkos_Error.hpp>
 #include <impl/Kokkos_SharedAlloc.hpp>
 
+#include "impl/Kokkos_HostSpace_deepcopy.hpp"
+
 /*--------------------------------------------------------------------------*/
 
 namespace Kokkos {
@@ -113,6 +115,8 @@ public:
   typedef Kokkos::OpenMP    execution_space;
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_THREADS )
   typedef Kokkos::Threads   execution_space;
+#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_HPX )
+  typedef Kokkos::Experimental::HPX execution_space;
 //#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_QTHREADS )
 //  typedef Kokkos::Qthreads  execution_space;
 #elif defined( KOKKOS_ENABLE_OPENMP )
@@ -121,6 +125,8 @@ public:
   typedef Kokkos::Threads   execution_space;
 //#elif defined( KOKKOS_ENABLE_QTHREADS )
 //  typedef Kokkos::Qthreads  execution_space;
+#elif defined( KOKKOS_ENABLE_HPX )
+  typedef Kokkos::Experimental::HPX execution_space;
 #elif defined( KOKKOS_ENABLE_SERIAL )
   typedef Kokkos::Serial    execution_space;
 #else
@@ -291,15 +297,18 @@ namespace Kokkos {
 
 namespace Impl {
 
+#define PAR_DEEP_COPY_USE_MEMCPY
+
 template< class ExecutionSpace >
 struct DeepCopy< HostSpace, HostSpace, ExecutionSpace > {
   DeepCopy( void * dst, const void * src, size_t n ) {
-    memcpy( dst, src, n );
+    hostspace_parallel_deepcopy(dst,src,n);
   }
 
   DeepCopy( const ExecutionSpace& exec, void * dst, const void * src, size_t n ) {
     exec.fence();
-    memcpy( dst, src, n );
+    hostspace_parallel_deepcopy(dst,src,n);
+    exec.fence();
   }
 };
 
diff --git a/lib/kokkos/core/src/Kokkos_Layout.hpp b/lib/kokkos/core/src/Kokkos_Layout.hpp
index 43e117783bfc0d7966179324792cb195a09f58a0..6f423d545f074ff8e35c6c352df1f60e35cea78e 100644
--- a/lib/kokkos/core/src/Kokkos_Layout.hpp
+++ b/lib/kokkos/core/src/Kokkos_Layout.hpp
@@ -193,6 +193,9 @@ struct LayoutStride {
     {}
 };
 
+// ==========================================================================
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+
 //----------------------------------------------------------------------------
 /// \struct LayoutTileLeft
 /// \brief Memory layout tag indicating left-to-right (Fortran scheme)
@@ -243,6 +246,8 @@ struct LayoutTileLeft {
     : dimension { argN0 , argN1 , argN2 , argN3 , argN4 , argN5 , argN6 , argN7 } {}
 };
 
+#endif   // KOKKOS_ENABLE_DEPRECATED_CODE
+// ===================================================================================
 
 //////////////////////////////////////////////////////////////////////////////////////
 
@@ -269,14 +274,14 @@ namespace Experimental {
 template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP,
            unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 = 0,  unsigned ArgN3 = 0,  unsigned ArgN4 = 0,  unsigned ArgN5 = 0,  unsigned ArgN6 = 0,  unsigned ArgN7 = 0, 
            bool IsPowerOfTwo = 
-           ( Impl::is_integral_power_of_two(ArgN0) &&
-             Impl::is_integral_power_of_two(ArgN1) &&
-             (Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
-             (Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
-             (Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
-             (Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
-             (Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
-             (Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
+           ( Kokkos::Impl::is_integral_power_of_two(ArgN0) &&
+               Kokkos::Impl::is_integral_power_of_two(ArgN1) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
+             (Kokkos::Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
            )
          >
 struct LayoutTiled {
diff --git a/lib/kokkos/core/src/Kokkos_Macros.hpp b/lib/kokkos/core/src/Kokkos_Macros.hpp
index 10fc09423e729d0fa1315e7e6c30f726bf6a8981..6b8ae02f824cfa8816bc52b9b3f3aacf6d385985 100644
--- a/lib/kokkos/core/src/Kokkos_Macros.hpp
+++ b/lib/kokkos/core/src/Kokkos_Macros.hpp
@@ -50,6 +50,7 @@
  *  KOKKOS_ENABLE_CUDA                Kokkos::Cuda execution and memory spaces
  *  KOKKOS_ENABLE_THREADS             Kokkos::Threads execution space
  *  KOKKOS_ENABLE_QTHREADS            Kokkos::Qthreads execution space
+ *  KOKKOS_ENABLE_HPX                 Kokkos::Experimental::HPX execution space
  *  KOKKOS_ENABLE_OPENMP              Kokkos::OpenMP execution space
  *  KOKKOS_ENABLE_OPENMPTARGET        Kokkos::Experimental::OpenMPTarget execution space
  *  KOKKOS_ENABLE_HWLOC               HWLOC library is available.
@@ -98,12 +99,14 @@
 
 #if defined(KOKKOS_ENABLE_SERIAL) || defined(KOKKOS_ENABLE_THREADS) || \
     defined(KOKKOS_ENABLE_OPENMP) || defined(KOKKOS_ENABLE_QTHREADS) || \
+    defined(KOKKOS_ENABLE_HPX) || \
     defined(KOKKOS_ENABLE_ROCM) || defined(KOKKOS_ENABLE_OPENMPTARGET)
   #define KOKKOS_INTERNAL_ENABLE_NON_CUDA_BACKEND
 #endif
 
 #if !defined(KOKKOS_ENABLE_THREADS) && !defined(KOKKOS_ENABLE_CUDA) && \
     !defined(KOKKOS_ENABLE_OPENMP) && !defined(KOKKOS_ENABLE_QTHREADS) && \
+    !defined(KOKKOS_ENABLE_HPX) && \
     !defined(KOKKOS_ENABLE_ROCM) && !defined(KOKKOS_ENABLE_OPENMPTARGET)
   #define KOKKOS_INTERNAL_NOT_PARALLEL
 #endif
@@ -174,33 +177,22 @@
   #if ( 10000 > CUDA_VERSION )
     #define KOKKOS_ENABLE_PRE_CUDA_10_DEPRECATION_API
   #endif
-#endif // #if defined( KOKKOS_ENABLE_CUDA ) && defined( __CUDACC__ )
-
-//----------------------------------------------------------------------------
-// Language info: C++, CUDA, OPENMP
 
-#if defined( KOKKOS_ENABLE_CUDA )
-  // Compiling Cuda code to 'ptx'
-
-  #define KOKKOS_FORCEINLINE_FUNCTION  __device__  __host__  __forceinline__
-  #define KOKKOS_INLINE_FUNCTION       __device__  __host__  inline
-  #define KOKKOS_FUNCTION              __device__  __host__
-#endif // #if defined( __CUDA_ARCH__ )
+  #if defined(__CUDA_ARCH__) && (__CUDA_ARCH__ >= 700)
+    // PTX atomics with memory order semantics are only available on volta and later
+    #if !defined(KOKKOS_DISABLE_CUDA_ASM)
+      #if !defined(KOKKOS_ENABLE_CUDA_ASM)
+        #define KOKKOS_ENABLE_CUDA_ASM
+        #if !defined(KOKKOS_DISABLE_CUDA_ASM_ATOMICS)
+          #define KOKKOS_ENABLE_CUDA_ASM_ATOMICS
+        #endif
+      #endif
+    #endif
+  #endif
 
-#if defined( KOKKOS_ENABLE_ROCM ) && defined( __HCC__ )
 
-  #define KOKKOS_FORCEINLINE_FUNCTION  __attribute__((amp,cpu)) inline
-  #define KOKKOS_INLINE_FUNCTION       __attribute__((amp,cpu)) inline
-  #define KOKKOS_FUNCTION              __attribute__((amp,cpu))
-  #define KOKKOS_LAMBDA                [=] __attribute__((amp,cpu))
-#endif
+#endif // #if defined( KOKKOS_ENABLE_CUDA ) && defined( __CUDACC__ )
 
-#if defined( _OPENMP )
-  //  Compiling with OpenMP.
-  //  The value of _OPENMP is an integer value YYYYMM
-  //  where YYYY and MM are the year and month designation
-  //  of the supported OpenMP API version.
-#endif // #if defined( _OPENMP )
 
 //----------------------------------------------------------------------------
 // Mapping compiler built-ins to KOKKOS_COMPILER_*** macros
@@ -263,7 +255,7 @@
   #endif
 #endif
 
-#if defined( __PGIC__ ) 
+#if defined( __PGIC__ )
   #define KOKKOS_COMPILER_PGI __PGIC__*100+__PGIC_MINOR__*10+__PGIC_PATCHLEVEL__
 
   #if ( 1540 > KOKKOS_COMPILER_PGI )
@@ -272,6 +264,36 @@
 #endif
 
 //#endif // #if !defined( __CUDA_ARCH__ )
+//----------------------------------------------------------------------------
+// Language info: C++, CUDA, OPENMP
+
+#if defined( KOKKOS_ENABLE_CUDA )
+  // Compiling Cuda code to 'ptx'
+
+  #define KOKKOS_FORCEINLINE_FUNCTION  __device__  __host__  __forceinline__
+  #define KOKKOS_INLINE_FUNCTION       __device__  __host__  inline
+  #define KOKKOS_FUNCTION              __device__  __host__
+  #if defined( KOKKOS_COMPILER_NVCC )
+    #define KOKKOS_INLINE_FUNCTION_DELETED inline
+  #else
+    #define KOKKOS_INLINE_FUNCTION_DELETED __device__  __host__  inline
+  #endif
+#endif // #if defined( __CUDA_ARCH__ )
+
+#if defined( KOKKOS_ENABLE_ROCM ) && defined( __HCC__ )
+
+  #define KOKKOS_FORCEINLINE_FUNCTION  __attribute__((amp,cpu)) inline
+  #define KOKKOS_INLINE_FUNCTION       __attribute__((amp,cpu)) inline
+  #define KOKKOS_FUNCTION              __attribute__((amp,cpu))
+  #define KOKKOS_LAMBDA                [=] __attribute__((amp,cpu))
+#endif
+
+#if defined( _OPENMP )
+  //  Compiling with OpenMP.
+  //  The value of _OPENMP is an integer value YYYYMM
+  //  where YYYY and MM are the year and month designation
+  //  of the supported OpenMP API version.
+#endif // #if defined( _OPENMP )
 
 //----------------------------------------------------------------------------
 // Intel compiler macros
@@ -320,7 +342,10 @@
 
   #if defined( KOKKOS_ARCH_AVX512MIC )
       #define KOKKOS_ENABLE_RFO_PREFETCH 1
-  #endif 
+      #if (KOKKOS_COMPILER_INTEL < 1800) && !defined(KOKKOS_KNL_USE_ASM_WORKAROUND)
+        #define KOKKOS_KNL_USE_ASM_WORKAROUND 1
+      #endif
+  #endif
 
   #if defined( __MIC__ )
     // Compiling for Xeon Phi
@@ -386,6 +411,8 @@
     #define KOKKOS_FORCEINLINE_FUNCTION inline __attribute__((always_inline))
   #endif
 
+  #define KOKKOS_RESTRICT __restrict__
+
   #if !defined( KOKKOS_ENABLE_ASM ) && !defined( __PGIC__ ) && \
       ( defined( __amd64 ) || defined( __amd64__ ) || \
         defined( __x86_64 ) || defined( __x86_64__ ) || \
@@ -416,7 +443,7 @@
 // Define function marking macros if compiler specific macros are undefined:
 
 #if !defined( KOKKOS_FORCEINLINE_FUNCTION )
-  #define KOKKOS_FORCEINLINE_FUNCTION  inline
+  define KOKKOS_FORCEINLINE_FUNCTION  inline
 #endif
 
 #if !defined( KOKKOS_INLINE_FUNCTION )
@@ -427,6 +454,9 @@
   #define KOKKOS_FUNCTION /**/
 #endif
 
+#if !defined( KOKKOS_INLINE_FUNCTION_DELETED )
+  #define KOKKOS_INLINE_FUNCTION_DELETED inline
+#endif
 //----------------------------------------------------------------------------
 // Define empty macro for restrict if necessary:
 
@@ -459,18 +489,20 @@
           ( defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_OPENMP ) ? 1 : 0 ) + \
           ( defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_THREADS ) ? 1 : 0 ) + \
           ( defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_QTHREADS ) ? 1 : 0 ) + \
+          ( defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_HPX ) ? 1 : 0 ) + \
           ( defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_SERIAL ) ? 1 : 0 ) )
   #error "More than one KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_* specified."
 #endif
 
 // If default is not specified then chose from enabled execution spaces.
-// Priority: CUDA, OPENMP, THREADS, QTHREADS, SERIAL
+// Priority: CUDA, OPENMP, THREADS, QTHREADS, HPX, SERIAL
 #if   defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_CUDA )
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_ROCM )
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_OPENMPTARGET )
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_OPENMP )
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_THREADS )
 //#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_QTHREADS )
+#elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_HPX )
 #elif defined( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_SERIAL )
 #elif defined( KOKKOS_ENABLE_CUDA )
   #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_CUDA
@@ -484,6 +516,8 @@
   #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_THREADS
 //#elif defined( KOKKOS_ENABLE_QTHREADS )
 //  #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_QTHREADS
+#elif defined( KOKKOS_ENABLE_HPX )
+  #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_HPX
 #else
   #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_SERIAL
 #endif
@@ -539,7 +573,27 @@
   #define KOKKOS_IMPL_CTOR_DEFAULT_ARG KOKKOS_INVALID_INDEX
 #endif
 
+#if (defined(KOKKOS_ENABLE_CXX14) || defined(KOKKOS_ENABLE_CXX17) || defined(KOKKOS_ENABLE_CXX20))
+  #define KOKKOS_CONSTEXPR_14 constexpr
+  #define KOKKOS_DEPRECATED [[deprecated]]
+  #define KOKKOS_DEPRECATED_TRAILING_ATTRIBUTE
+#else
+  #define KOKKOS_CONSTEXPR_14
+  #if defined(KOKKOS_COMPILER_GNU) || defined(KOKKOS_COMPILER_CLANG)
+    #define KOKKOS_DEPRECATED
+    #define KOKKOS_DEPRECATED_TRAILING_ATTRIBUTE __attribute__ ((deprecated))
+  #else
+    #define KOKKOS_DEPRECATED
+    #define KOKKOS_DEPRECATED_TRAILING_ATTRIBUTE
+  #endif
+#endif
+
 
+// DJS 05/28/2019: Bugfix: Issue 2155
+// Use KOKKOS_ENABLE_CUDA_LDG_INTRINSIC to avoid memory leak in RandomAccess View
+#if defined(KOKKOS_ENABLE_CUDA) && !defined(KOKKOS_ENABLE_CUDA_LDG_INTRINSIC)
+ #define KOKKOS_ENABLE_CUDA_LDG_INTRINSIC
+#endif
 
 #endif // #ifndef KOKKOS_MACROS_HPP
 
diff --git a/lib/kokkos/core/src/Kokkos_MemoryPool.hpp b/lib/kokkos/core/src/Kokkos_MemoryPool.hpp
index 157345c55200234250c2260f6132e4ea3985db91..365db2baecf139637173badc515ca30432200e22 100644
--- a/lib/kokkos/core/src/Kokkos_MemoryPool.hpp
+++ b/lib/kokkos/core/src/Kokkos_MemoryPool.hpp
@@ -132,12 +132,18 @@ private:
 
 public:
 
+  using memory_space = typename DeviceType::memory_space;
+
   /**\brief  The maximum size of a superblock and block */
   enum : uint32_t { max_superblock_size      = 1LU << 31 /* 2 gigabytes */ };
   enum : uint32_t { max_block_per_superblock = max_bit_count };
 
   //--------------------------------------------------------------------------
 
+  KOKKOS_INLINE_FUNCTION
+  bool operator==(MemoryPool const& other) const
+    { return m_sb_state_array == other.m_sb_state_array; }
+
   KOKKOS_INLINE_FUNCTION
   size_t capacity() const noexcept
     { return size_t(m_sb_count) << m_sb_size_lg2 ; }
diff --git a/lib/kokkos/core/src/Kokkos_MemoryTraits.hpp b/lib/kokkos/core/src/Kokkos_MemoryTraits.hpp
index eebc83cf3ddc12a745f7aa273321add249716d2a..509ac6499e2563a3a8334d299fa09f2f345753bb 100644
--- a/lib/kokkos/core/src/Kokkos_MemoryTraits.hpp
+++ b/lib/kokkos/core/src/Kokkos_MemoryTraits.hpp
@@ -71,13 +71,18 @@ template < unsigned T >
 struct MemoryTraits {
   //! Tag this class as a kokkos memory traits:
   typedef MemoryTraits memory_traits ;
-
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   enum : bool { Unmanaged    = (unsigned(0) != (T & unsigned(Kokkos::Unmanaged))) };
   enum : bool { RandomAccess = (unsigned(0) != (T & unsigned(Kokkos::RandomAccess))) };
   enum : bool { Atomic       = (unsigned(0) != (T & unsigned(Kokkos::Atomic))) };
   enum : bool { Restrict     = (unsigned(0) != (T & unsigned(Kokkos::Restrict))) };
   enum : bool { Aligned      = (unsigned(0) != (T & unsigned(Kokkos::Aligned))) };
-
+#endif
+  enum : bool { is_unmanaged    = (unsigned(0) != (T & unsigned(Kokkos::Unmanaged))) };
+  enum : bool { is_random_access = (unsigned(0) != (T & unsigned(Kokkos::RandomAccess))) };
+  enum : bool { is_atomic       = (unsigned(0) != (T & unsigned(Kokkos::Atomic))) };
+  enum : bool { is_restrict     = (unsigned(0) != (T & unsigned(Kokkos::Restrict))) };
+  enum : bool { is_aligned      = (unsigned(0) != (T & unsigned(Kokkos::Aligned))) };
 };
 
 } // namespace Kokkos
diff --git a/lib/kokkos/core/src/Kokkos_OpenMP.hpp b/lib/kokkos/core/src/Kokkos_OpenMP.hpp
index ed4071a6daa2b074221c5c722c23cc25c8ac1531..6ee8f08dc89541187b9d31258997ef1e2a7d654f 100644
--- a/lib/kokkos/core/src/Kokkos_OpenMP.hpp
+++ b/lib/kokkos/core/src/Kokkos_OpenMP.hpp
@@ -107,8 +107,14 @@ public:
   /// \brief Wait until all dispatched functors complete on the given instance
   ///
   ///  This is a no-op on OpenMP
-  inline
+  static void impl_static_fence( OpenMP const& = OpenMP() ) noexcept;
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   static void fence( OpenMP const& = OpenMP() ) noexcept;
+  #else
+  void fence() const;
+  #endif
+
 
   /// \brief Does the given instance return immediately after launching
   /// a parallel algorithm
diff --git a/lib/kokkos/core/src/Kokkos_Pair.hpp b/lib/kokkos/core/src/Kokkos_Pair.hpp
index 1be763be858a13ccef609dba1daea10d8632b0fd..ab0ab8152a46f49422a785ea77c06bfd1bd83a79 100644
--- a/lib/kokkos/core/src/Kokkos_Pair.hpp
+++ b/lib/kokkos/core/src/Kokkos_Pair.hpp
@@ -528,6 +528,15 @@ KOKKOS_FORCEINLINE_FUNCTION constexpr
 bool operator>= (const pair<T1,void>& lhs, const pair<T1,void>& rhs)
 { return !(lhs<rhs); }
 
+
+namespace Impl {
+
+template <class T> struct is_pair_like : std::false_type { };
+template <class T, class U> struct is_pair_like<Kokkos::pair<T, U>> : std::true_type { };
+template <class T, class U> struct is_pair_like<std::pair<T, U>> : std::true_type { };
+
+} // end namespace Impl
+
 } // namespace Kokkos
 
 
diff --git a/lib/kokkos/core/src/Kokkos_Parallel.hpp b/lib/kokkos/core/src/Kokkos_Parallel.hpp
index b095f5728e63df49fc96ee6c4d0d86b9906545a0..09dcf60b111aaa6a907f801437adc43d4072f576 100644
--- a/lib/kokkos/core/src/Kokkos_Parallel.hpp
+++ b/lib/kokkos/core/src/Kokkos_Parallel.hpp
@@ -525,7 +525,7 @@ void parallel_scan( const ExecutionPolicy & policy
     Kokkos::Profiling::endParallelScan(kpID);
   }
 #endif
-
+  Kokkos::fence();
 }
 
 template< class FunctorType, class ReturnType >
@@ -560,7 +560,7 @@ void parallel_scan( const size_t        work_count
     Kokkos::Profiling::endParallelScan(kpID);
   }
 #endif
-
+  Kokkos::fence();
 }
 
 template< class ExecutionPolicy, class FunctorType, class ReturnType >
diff --git a/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp b/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
index 06aaa6546e8bee697894b91fee6decff4302b14b..36bc6e41535f75d548928f63fbb8cc72f01c03aa 100644
--- a/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
+++ b/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
@@ -69,18 +69,19 @@ public:
   typedef Sum reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  Sum(value_type& value_): value(&value_) {}
+  Sum(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  Sum(const result_view_type& value_): value(value_.data()) {}
+  Sum(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -100,12 +101,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -116,18 +122,19 @@ public:
   typedef Prod reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  Prod(value_type& value_): value(&value_) {}
+  Prod(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  Prod(const result_view_type& value_): value(value_.data()) {}
+  Prod(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -147,12 +154,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -163,18 +175,19 @@ public:
   typedef Min reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  Min(value_type& value_): value(&value_) {}
+  Min(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  Min(const result_view_type& value_): value(value_.data()) {}
+  Min(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -196,12 +209,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -212,18 +230,19 @@ public:
   typedef Max reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  Max(value_type& value_): value(&value_) {}
+  Max(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  Max(const result_view_type& value_): value(value_.data()) {}
+  Max(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -246,12 +265,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -262,18 +286,19 @@ public:
   typedef LAnd reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  LAnd(value_type& value_): value(&value_) {}
+  LAnd(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  LAnd(const result_view_type& value_): value(value_.data()) {}
+  LAnd(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   KOKKOS_INLINE_FUNCTION
   void join(value_type& dest, const value_type& src)  const {
@@ -292,12 +317,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -308,18 +338,19 @@ public:
   typedef LOr reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  LOr(value_type& value_): value(&value_) {}
+  LOr(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  LOr(const result_view_type& value_): value(value_.data()) {}
+  LOr(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -339,12 +370,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -355,18 +391,19 @@ public:
   typedef BAnd reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  BAnd(value_type& value_): value(&value_) {}
+  BAnd(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  BAnd(const result_view_type& value_): value(value_.data()) {}
+  BAnd(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -386,12 +423,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -402,18 +444,19 @@ public:
   typedef BOr reducer;
   typedef typename std::remove_cv<Scalar>::type value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  BOr(value_type& value_): value(&value_) {}
+  BOr(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  BOr(const result_view_type& value_): value(value_.data()) {}
+  BOr(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -433,12 +476,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -471,18 +519,19 @@ public:
   typedef MinLoc reducer;
   typedef ValLocScalar<scalar_type,index_type> value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  MinLoc(value_type& value_): value(&value_) {}
+  MinLoc(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  MinLoc(const result_view_type& value_): value(value_.data()) {}
+  MinLoc(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
 
   //Required
@@ -506,12 +555,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -526,18 +580,19 @@ public:
   typedef MaxLoc reducer;
   typedef ValLocScalar<scalar_type,index_type> value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  MaxLoc(value_type& value_): value(&value_) {}
+  MaxLoc(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  MaxLoc(const result_view_type& value_): value(value_.data()) {}
+  MaxLoc(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -560,12 +615,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -596,18 +656,19 @@ public:
   typedef MinMax reducer;
   typedef MinMaxScalar<scalar_type> value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  MinMax(value_type& value_): value(&value_) {}
+  MinMax(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  MinMax(const result_view_type& value_): value(value_.data()) {}
+  MinMax(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -638,12 +699,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 
@@ -680,18 +746,19 @@ public:
   typedef MinMaxLoc reducer;
   typedef MinMaxLocScalar<scalar_type,index_type> value_type;
 
-  typedef Kokkos::View<value_type, Space, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_type;
+  typedef Kokkos::View<value_type, Space> result_view_type;
 
 private:
-  value_type* value;
+  result_view_type value;
+  bool references_scalar_v;
 
 public:
 
   KOKKOS_INLINE_FUNCTION
-  MinMaxLoc(value_type& value_): value(&value_) {}
+  MinMaxLoc(value_type& value_): value(&value_),references_scalar_v(true) {}
 
   KOKKOS_INLINE_FUNCTION
-  MinMaxLoc(const result_view_type& value_): value(value_.data()) {}
+  MinMaxLoc(const result_view_type& value_): value(value_),references_scalar_v(false) {}
 
   //Required
   KOKKOS_INLINE_FUNCTION
@@ -728,12 +795,17 @@ public:
 
   KOKKOS_INLINE_FUNCTION
   value_type& reference() const {
-    return *value;
+    return *value.data();
   }
 
   KOKKOS_INLINE_FUNCTION
   result_view_type view() const {
-    return result_view_type(value);
+    return value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool references_scalar() const {
+    return references_scalar_v;
   }
 };
 }
@@ -813,7 +885,7 @@ struct ParallelReduceReturnValue<typename std::enable_if<
   typedef typename return_type::value_type value_type;
 
   static return_type return_value(ReturnType& return_val,
-                                  const FunctorType& functor) {
+                                  const FunctorType&) {
     return return_val;
   }
 };
@@ -908,6 +980,37 @@ struct ParallelReducePolicyType<typename std::enable_if<std::is_integral<PolicyT
     \param return_argument A return argument which can be a scalar, a View, or a ReducerStruct. This argument can be left out if the functor has a final function.
 */
 
+// Parallel Reduce Blocking behavior
+
+namespace Impl {
+template <typename T>
+  struct ReducerHasTestReferenceFunction
+  {
+    template <typename E> static std::true_type test_func( decltype(&E::references_scalar) ) ;
+    template <typename E> static std::false_type test_func(...);
+
+    enum { value = std::is_same<std::true_type,decltype(test_func<T>(0))>::value };
+  };
+
+  template<class T, bool is_reducer =  ReducerHasTestReferenceFunction<T>::value>
+  struct ParallelReduceFence {
+    static void fence(const T&) {
+      Kokkos::fence();
+    }
+  };
+  template<class ... Args>
+  struct ParallelReduceFence<View<Args...>, false> {
+    static void fence(const View<Args...>) {};
+  };
+  template<class T>
+  struct ParallelReduceFence<T,true> {
+    static void fence(const T& reducer) {
+      if(reducer.references_scalar())
+        Kokkos::fence();
+    }
+  };
+}
+
 /** \brief  Parallel reduction
  *
  * parallel_reduce performs parallel reductions with arbitrary functions - i.e.
@@ -959,6 +1062,7 @@ void parallel_reduce(const std::string& label,
                        Kokkos::Impl::is_execution_policy<PolicyType>::value
                      >::type * = 0) {
   Impl::ParallelReduceAdaptor<PolicyType,FunctorType,ReturnType>::execute(label,policy,functor,return_value);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class PolicyType, class FunctorType, class ReturnType >
@@ -970,6 +1074,7 @@ void parallel_reduce(const PolicyType& policy,
                        Kokkos::Impl::is_execution_policy<PolicyType>::value
                      >::type * = 0) {
   Impl::ParallelReduceAdaptor<PolicyType,FunctorType,ReturnType>::execute("",policy,functor,return_value);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class FunctorType, class ReturnType >
@@ -979,6 +1084,7 @@ void parallel_reduce(const size_t& policy,
                      ReturnType& return_value) {
   typedef typename Impl::ParallelReducePolicyType<void,size_t,FunctorType>::policy_type policy_type;
   Impl::ParallelReduceAdaptor<policy_type,FunctorType,ReturnType>::execute("",policy_type(0,policy),functor,return_value);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class FunctorType, class ReturnType >
@@ -989,6 +1095,7 @@ void parallel_reduce(const std::string& label,
                      ReturnType& return_value) {
   typedef typename Impl::ParallelReducePolicyType<void,size_t,FunctorType>::policy_type policy_type;
   Impl::ParallelReduceAdaptor<policy_type,FunctorType,ReturnType>::execute(label,policy_type(0,policy),functor,return_value);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 // ReturnValue as View or Reducer: take by copy to allow for inline construction
@@ -1004,6 +1111,7 @@ void parallel_reduce(const std::string& label,
                      >::type * = 0) {
   ReturnType return_value_impl = return_value;
   Impl::ParallelReduceAdaptor<PolicyType,FunctorType,ReturnType>::execute(label,policy,functor,return_value_impl);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class PolicyType, class FunctorType, class ReturnType >
@@ -1016,6 +1124,7 @@ void parallel_reduce(const PolicyType& policy,
                      >::type * = 0) {
   ReturnType return_value_impl = return_value;
   Impl::ParallelReduceAdaptor<PolicyType,FunctorType,ReturnType>::execute("",policy,functor,return_value_impl);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class FunctorType, class ReturnType >
@@ -1026,6 +1135,7 @@ void parallel_reduce(const size_t& policy,
   typedef typename Impl::ParallelReducePolicyType<void,size_t,FunctorType>::policy_type policy_type;
   ReturnType return_value_impl = return_value;
   Impl::ParallelReduceAdaptor<policy_type,FunctorType,ReturnType>::execute("",policy_type(0,policy),functor,return_value_impl);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 template< class FunctorType, class ReturnType >
@@ -1037,6 +1147,7 @@ void parallel_reduce(const std::string& label,
   typedef typename Impl::ParallelReducePolicyType<void,size_t,FunctorType>::policy_type policy_type;
   ReturnType return_value_impl = return_value;
   Impl::ParallelReduceAdaptor<policy_type,FunctorType,ReturnType>::execute(label,policy_type(0,policy),functor,return_value_impl);
+  Impl::ParallelReduceFence<ReturnType>::fence(return_value);
 }
 
 // No Return Argument
diff --git a/lib/kokkos/core/src/Kokkos_PointerOwnership.hpp b/lib/kokkos/core/src/Kokkos_PointerOwnership.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..be76ec3defa855290db04cfc4c22b26c8f1cc56b
--- /dev/null
+++ b/lib/kokkos/core/src/Kokkos_PointerOwnership.hpp
@@ -0,0 +1,74 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_POINTEROWNERSHIP_HPP
+#define KOKKOS_IMPL_POINTEROWNERSHIP_HPP
+
+#include <Kokkos_Macros.hpp>
+
+#include <Kokkos_Core_fwd.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+/// Trivial wrapper for raw pointers that express ownership.
+template <class T>
+using OwningRawPtr = T*;
+
+/// Trivial wrapper for raw pointers that do not express ownership.
+template <class T>
+using ObservingRawPtr = T*;
+
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+
+#endif /* #ifndef KOKKOS_IMPL_POINTEROWNERSHIP_HPP */
+
diff --git a/lib/kokkos/core/src/Kokkos_ROCm.hpp b/lib/kokkos/core/src/Kokkos_ROCm.hpp
index 469d6b27878cc5603313f11c835f765dfcda0b3b..96207e73c65e0822c320c501fec642530ad8839e 100644
--- a/lib/kokkos/core/src/Kokkos_ROCm.hpp
+++ b/lib/kokkos/core/src/Kokkos_ROCm.hpp
@@ -140,7 +140,14 @@ public:
   static bool wake() ;
 
   /** \brief Wait until all dispatched functors complete. A noop for OpenMP. */
-  static void fence() ;
+  static void impl_static_fence();
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+  static void fence();
+  #else
+  void fence() const;
+  #endif
+
 
   /// \brief Print configuration information to the given output stream.
   static void print_configuration( std::ostream & , const bool detail = false );
diff --git a/lib/kokkos/core/src/Kokkos_Serial.hpp b/lib/kokkos/core/src/Kokkos_Serial.hpp
index 01701e53a2783e93b6e272ef7f2e0d577ade9ecd..5821b0c0c5ecc57e393bbadf0917a2096bd9f875 100644
--- a/lib/kokkos/core/src/Kokkos_Serial.hpp
+++ b/lib/kokkos/core/src/Kokkos_Serial.hpp
@@ -118,10 +118,16 @@ public:
   /// return asynchronously, before the functor completes.  This
   /// method does not return until all dispatched functors on this
   /// device have completed.
+  static void impl_static_fence() {}
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   static void fence() {}
+  #else
+  void fence() const {}
+  #endif
 
   /** \brief  Return the maximum amount of concurrency.  */
-  static int concurrency() {return 1;};
+  static int concurrency() {return 1;}
 
   //! Print configuration information to the given output stream.
   static void print_configuration( std::ostream & , const bool /* detail */ = false ) {}
@@ -261,6 +267,20 @@ public:
     return *this;
   }
 
+  template<class ExecSpace, class ... OtherProperties >
+  friend class TeamPolicyInternal;
+
+  template< class ... OtherProperties >
+  TeamPolicyInternal(const TeamPolicyInternal<Kokkos::Serial,OtherProperties...>& p) {
+    m_league_size = p.m_league_size;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+  }
+
+
   //----------------------------------------
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
@@ -302,7 +322,7 @@ public:
         20*1024*1024);
   }
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( execution_space &
+  TeamPolicyInternal( const execution_space &
             , int league_size_request
 #ifndef KOKKOS_ENABLE_DEPRECATED_CODE
             , int team_size_request
@@ -320,7 +340,7 @@ public:
       #endif
     }
 
-  TeamPolicyInternal( execution_space &
+  TeamPolicyInternal( const execution_space &
             , int league_size_request
             , const Kokkos::AUTO_t & /* team_size_request */
             , int /* vector_length_request */ = 1 )
diff --git a/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp b/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
index 5045e9cbbcb67301d13fb872bd9deb4ffb16fc8a..1c3d58af08864e0c67de29eca1884b453fd7f142 100644
--- a/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
+++ b/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
@@ -50,393 +50,203 @@
 #if defined( KOKKOS_ENABLE_TASKDAG )
 
 #include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_TaskScheduler_fwd.hpp>
 //----------------------------------------------------------------------------
 
 #include <Kokkos_MemoryPool.hpp>
 #include <impl/Kokkos_Tags.hpp>
 
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-
-// Forward declarations used in Impl::TaskQueue
-
-template< typename Arg1 = void , typename Arg2 = void >
-class Future ;
-
-template< typename Space >
-class TaskScheduler ;
-
-template< typename Space >
-void wait( TaskScheduler< Space > const & );
-
-template< typename Space >
-struct is_scheduler : public std::false_type {};
-
-template< typename Space >
-struct is_scheduler< TaskScheduler< Space > > : public std::true_type {};
-
-} // namespace Kokkos
-
+#include <Kokkos_Future.hpp>
 #include <impl/Kokkos_TaskQueue.hpp>
+#include <impl/Kokkos_SingleTaskQueue.hpp>
+#include <impl/Kokkos_TaskQueueMultiple.hpp>
+#include <impl/Kokkos_TaskPolicyData.hpp>
+#include <impl/Kokkos_TaskTeamMember.hpp>
+#include <impl/Kokkos_SimpleTaskScheduler.hpp>
 
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
-namespace Kokkos {
-namespace Impl {
-
-/*\brief  Implementation data for task data management, access, and execution.
- *
- *  CRTP Inheritance structure to allow static_cast from the
- *  task root type and a task's FunctorType.
- *
- *    TaskBase< Space , ResultType , FunctorType >
- *      : TaskBase< Space , ResultType , void >
- *      , FunctorType
- *      { ... };
- *
- *    TaskBase< Space , ResultType , void >
- *      : TaskBase< Space , void , void >
- *      { ... };
- */
-template< typename Space , typename ResultType , typename FunctorType >
-class TaskBase ;
-
-} // namespace Impl
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-
 namespace Kokkos {
 
-/**
- *
- *  Future< space >  // value_type == void
- *  Future< value >  // space == Default
- *  Future< value , space >
- *
- */
-template< typename Arg1 , typename Arg2 >
-class Future {
-private:
-
-  template< typename > friend class TaskScheduler ;
-  template< typename , typename > friend class Future ;
-  template< typename , typename , typename > friend class Impl::TaskBase ;
-
-  enum { Arg1_is_space  = Kokkos::is_space< Arg1 >::value };
-  enum { Arg2_is_space  = Kokkos::is_space< Arg2 >::value };
-  enum { Arg1_is_value  = ! Arg1_is_space &&
-                          ! std::is_same< Arg1 , void >::value };
-  enum { Arg2_is_value  = ! Arg2_is_space &&
-                          ! std::is_same< Arg2 , void >::value };
-
-  static_assert( ! ( Arg1_is_space && Arg2_is_space )
-               , "Future cannot be given two spaces" );
-
-  static_assert( ! ( Arg1_is_value && Arg2_is_value )
-               , "Future cannot be given two value types" );
-
-  using ValueType =
-    typename std::conditional< Arg1_is_value , Arg1 ,
-    typename std::conditional< Arg2_is_value , Arg2 , void
-    >::type >::type ;
-
-  using Space =
-    typename std::conditional< Arg1_is_space , Arg1 ,
-    typename std::conditional< Arg2_is_space , Arg2 , void
-    >::type >::type ;
-
-  using task_base  = Impl::TaskBase< void , void , void > ;
-  using queue_type = Impl::TaskQueue< Space > ;
+namespace Impl {
 
-  task_base * m_task ;
+template <class, class>
+class TaskExec;
 
-  KOKKOS_INLINE_FUNCTION explicit
-  Future( task_base * task ) : m_task(0)
-    { if ( task ) queue_type::assign( & m_task , task ); }
+} // end namespace Impl
 
-  //----------------------------------------
 
+template<class ExecSpace, class QueueType>
+class BasicTaskScheduler : public Impl::TaskSchedulerBase
+{
 public:
 
-  using execution_space = typename Space::execution_space ;
-  using value_type      = ValueType ;
+  using scheduler_type = BasicTaskScheduler;
+  using execution_space = ExecSpace;
+  using queue_type = QueueType;
+  using memory_space = typename queue_type::memory_space;
+  using memory_pool = typename queue_type::memory_pool;
+  using specialization = Impl::TaskQueueSpecialization<BasicTaskScheduler>;
+  using member_type = typename specialization::member_type;
+  using team_scheduler_type = BasicTaskScheduler;
+  template <class Functor>
+  using runnable_task_type = Impl::Task<scheduler_type, typename Functor::value_type, Functor>;
+  template <class ValueType>
+  using future_type = Kokkos::BasicFuture<ValueType, BasicTaskScheduler>;
+  template <class FunctorType>
+  using future_type_for_functor = future_type<typename FunctorType::value_type>;
 
-  //----------------------------------------
-
-  KOKKOS_INLINE_FUNCTION
-  bool is_null() const { return 0 == m_task ; }
-
-  KOKKOS_INLINE_FUNCTION
-  int reference_count() const
-    { return 0 != m_task ? m_task->reference_count() : 0 ; }
+private:
 
-  //----------------------------------------
+  using track_type = Kokkos::Impl::SharedAllocationTracker ;
+  using task_base  = Impl::TaskBase;
 
-  KOKKOS_INLINE_FUNCTION
-  void clear()
-    { if ( m_task ) queue_type::assign( & m_task , (task_base*)0 ); }
+  track_type m_track;
+  queue_type * m_queue;
 
   //----------------------------------------
 
-  KOKKOS_INLINE_FUNCTION
-  ~Future() { clear(); }
+  template <typename, typename>
+  friend class Impl::TaskQueue;
+  template <typename>
+  friend struct Impl::TaskQueueSpecialization;
+  template <typename, typename>
+  friend class Impl::TaskQueueSpecializationConstrained;
+  template <typename, typename>
+  friend class Impl::TaskTeamMemberAdapter;
+  template <typename, typename>
+  friend class Impl::TaskExec;
 
   //----------------------------------------
 
   KOKKOS_INLINE_FUNCTION
-  constexpr Future() noexcept : m_task(0) {}
+  BasicTaskScheduler(
+    track_type arg_track,
+    queue_type* arg_queue
+  )
+    : m_track(std::move(arg_track)),
+      m_queue(std::move(arg_queue))
+  { }
 
   KOKKOS_INLINE_FUNCTION
-  Future( Future && rhs )
-    : m_task( rhs.m_task ) { rhs.m_task = 0 ; }
-
-  KOKKOS_INLINE_FUNCTION
-  Future( const Future & rhs )
-    : m_task(0)
-    { if ( rhs.m_task ) queue_type::assign( & m_task , rhs.m_task ); }
-
-  KOKKOS_INLINE_FUNCTION
-  Future & operator = ( Future && rhs )
-    {
-      clear();
-      m_task = rhs.m_task ;
-      rhs.m_task = 0 ;
-      return *this ;
-    }
-
-  KOKKOS_INLINE_FUNCTION
-  Future & operator = ( const Future & rhs )
-    {
-      if ( m_task || rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
-      return *this ;
-    }
+  team_scheduler_type get_team_scheduler(int team_rank) const {
+    return { m_track, &m_queue->get_team_queue(team_rank) };
+  }
 
   //----------------------------------------
 
-  template< class A1 , class A2 >
-  KOKKOS_INLINE_FUNCTION
-  Future( Future<A1,A2> && rhs )
-    : m_task( rhs.m_task )
-    {
-      static_assert
-        ( std::is_same< Space , void >::value ||
-          std::is_same< Space , typename Future<A1,A2>::Space >::value
-        , "Assigned Futures must have the same space" );
-
-      static_assert
-        ( std::is_same< value_type , void >::value ||
-          std::is_same< value_type , typename Future<A1,A2>::value_type >::value
-        , "Assigned Futures must have the same value_type" );
-
-      rhs.m_task = 0 ;
-    }
-
-  template< class A1 , class A2 >
   KOKKOS_INLINE_FUNCTION
-  Future( const Future<A1,A2> & rhs )
-    : m_task(0)
-    {
-      static_assert
-        ( std::is_same< Space , void >::value ||
-          std::is_same< Space , typename Future<A1,A2>::Space >::value
-        , "Assigned Futures must have the same space" );
-
-      static_assert
-        ( std::is_same< value_type , void >::value ||
-          std::is_same< value_type , typename Future<A1,A2>::value_type >::value
-        , "Assigned Futures must have the same value_type" );
-
-      if ( rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
-    }
-
-  template< class A1 , class A2 >
-  KOKKOS_INLINE_FUNCTION
-  Future & operator = ( const Future<A1,A2> & rhs )
-    {
-      static_assert
-        ( std::is_same< Space , void >::value ||
-          std::is_same< Space , typename Future<A1,A2>::Space >::value
-        , "Assigned Futures must have the same space" );
-
-      static_assert
-        ( std::is_same< value_type , void >::value ||
-          std::is_same< value_type , typename Future<A1,A2>::value_type >::value
-        , "Assigned Futures must have the same value_type" );
-
-      if ( m_task || rhs.m_task ) queue_type::assign( & m_task , rhs.m_task );
-      return *this ;
-    }
-
-  template< class A1 , class A2 >
-  KOKKOS_INLINE_FUNCTION
-  Future & operator = ( Future<A1,A2> && rhs )
-    {
-      static_assert
-        ( std::is_same< Space , void >::value ||
-          std::is_same< Space , typename Future<A1,A2>::Space >::value
-        , "Assigned Futures must have the same space" );
-
-      static_assert
-        ( std::is_same< value_type , void >::value ||
-          std::is_same< value_type , typename Future<A1,A2>::value_type >::value
-        , "Assigned Futures must have the same value_type" );
-
-      clear();
-      m_task = rhs.m_task ;
-      rhs.m_task = 0 ;
-      return *this ;
-    }
-
-  //----------------------------------------
+  static constexpr task_base* _get_task_ptr(std::nullptr_t) { return nullptr; }
 
+  template <class ValueType>
   KOKKOS_INLINE_FUNCTION
-  int is_ready() const noexcept
-    { return ( 0 == m_task ) || ( ((task_base*) task_base::LockTag) == m_task->m_wait ); }
+  static constexpr task_base* _get_task_ptr(future_type<ValueType>&& f)
+  {
+    return f.m_task;
+  }
 
-  KOKKOS_INLINE_FUNCTION
-  const typename Impl::TaskResult< ValueType >::reference_type
-  get() const
-    {
-      if ( 0 == m_task ) {
-        Kokkos::abort( "Kokkos:::Future::get ERROR: is_null()");
-      }
-      return Impl::TaskResult< ValueType >::get( m_task );
+  template< int TaskEnum , typename DepTaskType , typename FunctorType >
+  KOKKOS_FUNCTION
+  Kokkos::BasicFuture<typename FunctorType::value_type, scheduler_type>
+  _spawn_impl(
+    DepTaskType* arg_predecessor_task,
+    TaskPriority arg_priority,
+    typename task_base::function_type arg_function,
+    typename task_base::destroy_type arg_destroy,
+    FunctorType&& arg_functor
+  )
+  {
+    using functor_future_type = future_type_for_functor<typename std::decay<FunctorType>::type>;
+    using task_type = Impl::Task<BasicTaskScheduler, typename functor_future_type::value_type, FunctorType>;
+
+    //----------------------------------------
+    // Give single-thread back-ends an opportunity to clear
+    // queue of ready tasks before allocating a new task
+
+    // TODO @tasking @optimization DSH re-enable this, maybe?
+    // specialization::iff_single_thread_recursive_execute(scheduler);
+
+    //----------------------------------------
+
+    functor_future_type f ;
+
+    // Allocate task from memory pool
+
+    const size_t alloc_size =
+      m_queue->template spawn_allocation_size< FunctorType >();
+
+    void* task_storage = m_queue->allocate(alloc_size);
+
+    if (task_storage) {
+
+      // Placement new construction
+      // Reference count starts at two:
+      //   +1 for the matching decrement when task is complete
+      //   +1 for the future
+      f.m_task = new (task_storage) task_type( std::forward<FunctorType>(arg_functor) );
+
+      f.m_task->m_apply      = arg_function;
+      //f.m_task->m_destroy    = arg_destroy;
+      f.m_task->m_queue      = m_queue;
+      f.m_task->m_next       = arg_predecessor_task;
+      f.m_task->m_ref_count  = 2;
+      f.m_task->m_alloc_size = alloc_size;
+      f.m_task->m_task_type  = TaskEnum;
+      f.m_task->m_priority   = (int16_t)arg_priority;
+
+      Kokkos::memory_fence();
+
+      // The dependence (if any) is processed immediately
+      // within the schedule function, as such the dependence's
+      // reference count does not need to be incremented for
+      // the assignment.
+
+      m_queue->schedule_runnable( f.m_task );
+      // This task may be updated or executed at any moment,
+      // even during the call to 'schedule'.
     }
-};
 
-// Is a Future with the given execution space
-template< typename , typename ExecSpace = void >
-struct is_future : public std::false_type {};
-
-template< typename Arg1 , typename Arg2 , typename ExecSpace >
-struct is_future< Future<Arg1,Arg2> , ExecSpace >
-  : public std::integral_constant
-      < bool ,
-      ( std::is_same< ExecSpace , void >::value ||
-        std::is_same< ExecSpace
-                    , typename Future<Arg1,Arg2>::execution_space >::value )
-      > {};
-
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
+    return f;
 
-namespace Kokkos {
-
-enum class TaskPriority : int { High    = 0
-                              , Regular = 1
-                              , Low     = 2 };
-
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-namespace Impl {
-
-//----------------------------------------------------------------------------
-
-template< int TaskEnum , typename DepFutureType >
-struct TaskPolicyData
-{
-  using execution_space = typename DepFutureType::execution_space ;
-  using scheduler_type  = TaskScheduler< execution_space > ;
-
-  enum : int { m_task_type = TaskEnum };
-
-  scheduler_type const * m_scheduler ;
-  DepFutureType  const   m_dependence ;
-  int                    m_priority ;
-
-  TaskPolicyData() = delete ;
-  TaskPolicyData( TaskPolicyData && ) = default ;
-  TaskPolicyData( TaskPolicyData const & ) = default ;
-  TaskPolicyData & operator = ( TaskPolicyData && ) = default ;
-  TaskPolicyData & operator = ( TaskPolicyData const & ) = default ;
-
-  KOKKOS_INLINE_FUNCTION
-  TaskPolicyData( DepFutureType        const & arg_future
-                , Kokkos::TaskPriority const & arg_priority )
-    : m_scheduler( 0 )
-    , m_dependence( arg_future )
-    , m_priority( static_cast<int>( arg_priority ) )
-    {}
-
-  KOKKOS_INLINE_FUNCTION
-  TaskPolicyData( scheduler_type       const & arg_scheduler
-                , Kokkos::TaskPriority const & arg_priority )
-    : m_scheduler( & arg_scheduler )
-    , m_dependence()
-    , m_priority( static_cast<int>( arg_priority ) )
-    {}
-
-  KOKKOS_INLINE_FUNCTION
-  TaskPolicyData( scheduler_type       const & arg_scheduler
-                , DepFutureType        const & arg_future
-                , Kokkos::TaskPriority const & arg_priority )
-    : m_scheduler( & arg_scheduler )
-    , m_dependence( arg_future )
-    , m_priority( static_cast<int>( arg_priority ) )
-    {}
-};
-
-} // namespace Impl
-} // namespace Kokkos
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-
-template< typename ExecSpace >
-class TaskScheduler
-{
-private:
-
-  using track_type = Kokkos::Impl::SharedAllocationTracker ;
-  using queue_type = Kokkos::Impl::TaskQueue< ExecSpace > ;
-  using task_base  = Impl::TaskBase< void , void , void > ;
-
-  track_type   m_track ;
-  queue_type * m_queue ;
-
-  //----------------------------------------
+  }
 
 public:
 
-  using execution_space  = ExecSpace ;
-  using memory_space     = typename queue_type::memory_space ;
-  using memory_pool      = typename queue_type::memory_pool ;
-  using member_type      =
-    typename Kokkos::Impl::TaskQueueSpecialization< ExecSpace >::member_type ;
 
   KOKKOS_INLINE_FUNCTION
-  TaskScheduler() : m_track(), m_queue(0) {}
+  BasicTaskScheduler() : m_track(), m_queue(0) {}
 
   KOKKOS_INLINE_FUNCTION
-  TaskScheduler( TaskScheduler && rhs )
-    : m_track( rhs.m_track ), m_queue( rhs.m_queue ) {}
+  BasicTaskScheduler( BasicTaskScheduler && rhs ) noexcept
+    : m_track(rhs.m_track),  // probably should be a move, but this is deprecated code anyway
+      m_queue(std::move(rhs.m_queue))
+  { }
 
   KOKKOS_INLINE_FUNCTION
-  TaskScheduler( TaskScheduler const & rhs )
-    : m_track( rhs.m_track ), m_queue( rhs.m_queue ) {}
+  BasicTaskScheduler( BasicTaskScheduler const & rhs )
+    : m_track(rhs.m_track),
+      m_queue(rhs.m_queue)
+  { }
 
   KOKKOS_INLINE_FUNCTION
-  TaskScheduler & operator = ( TaskScheduler && rhs )
-    { m_track = rhs.m_track ; m_queue =  rhs.m_queue ; return *this ; }
+  BasicTaskScheduler& operator=(BasicTaskScheduler&& rhs) noexcept
+  {
+    m_track = rhs.m_track;  // probably should be a move, but this is deprecated code anyway
+    m_queue = std::move(rhs.m_queue);
+    return *this;
+  }
 
   KOKKOS_INLINE_FUNCTION
-  TaskScheduler & operator = ( TaskScheduler const & rhs )
-    { m_track = rhs.m_track ; m_queue =  rhs.m_queue ; return *this ; }
-
-  TaskScheduler( memory_pool const & arg_memory_pool )
-    : m_track()
-    , m_queue(0)
+  BasicTaskScheduler& operator=(BasicTaskScheduler const& rhs)
+  {
+    m_track = rhs.m_track;
+    m_queue = rhs.m_queue;
+    return *this;
+  }
+
+  explicit BasicTaskScheduler(memory_pool const & arg_memory_pool) noexcept
+    : m_track(), m_queue(0)
     {
       typedef Kokkos::Impl::SharedAllocationRecord
         < memory_space , typename queue_type::Destroy >
@@ -455,13 +265,13 @@ public:
       m_track.assign_allocated_record_to_uninitialized( record );
     }
 
-  TaskScheduler( memory_space const & arg_memory_space
+  BasicTaskScheduler( memory_space const & arg_memory_space
                , size_t const mempool_capacity
                , unsigned const mempool_min_block_size  // = 1u << 6
                , unsigned const mempool_max_block_size  // = 1u << 10
                , unsigned const mempool_superblock_size // = 1u << 12
                )
-    : TaskScheduler( memory_pool( arg_memory_space
+    : BasicTaskScheduler( memory_pool( arg_memory_space
                                 , mempool_capacity
                                 , mempool_min_block_size
                                 , mempool_max_block_size
@@ -470,6 +280,12 @@ public:
 
   //----------------------------------------
 
+  KOKKOS_INLINE_FUNCTION
+  queue_type& queue() const noexcept {
+    KOKKOS_EXPECTS(m_queue != nullptr);
+    return *m_queue;
+  }
+
   KOKKOS_INLINE_FUNCTION
   memory_pool * memory() const noexcept
     { return m_queue ? &( m_queue->m_memory ) : (memory_pool*) 0 ; }
@@ -486,216 +302,173 @@ public:
   size_t when_all_allocation_size( int narg ) const
     { return m_queue->when_all_allocation_size( narg ); }
 
+
   //----------------------------------------
 
-  template< int TaskEnum , typename DepFutureType , typename FunctorType >
+  template <int TaskEnum, typename DepFutureType, typename FunctorType>
   KOKKOS_FUNCTION static
-  Kokkos::Future< typename FunctorType::value_type , execution_space >
-  spawn( Impl::TaskPolicyData<TaskEnum,DepFutureType> const & arg_policy
-       , typename task_base::function_type                    arg_function
-       , FunctorType                                       && arg_functor
-       )
-    {
-      using value_type  = typename FunctorType::value_type ;
-      using future_type = Future< value_type , execution_space > ;
-      using task_type   = Impl::TaskBase< execution_space
-                                        , value_type
-                                        , FunctorType > ;
-
-      queue_type * const queue =
-        arg_policy.m_scheduler ? arg_policy.m_scheduler->m_queue : (
-        arg_policy.m_dependence.m_task
-          ? static_cast<queue_type*>(arg_policy.m_dependence.m_task->m_queue)
-          : (queue_type*) 0 );
-
-      if ( 0 == queue ) {
-        Kokkos::abort("Kokkos spawn requires scheduler or non-null Future");
-      }
-
-      if ( arg_policy.m_dependence.m_task != 0 &&
-           arg_policy.m_dependence.m_task->m_queue != queue ) {
-        Kokkos::abort("Kokkos spawn given incompatible scheduler and Future");
-      }
-
-      //----------------------------------------
-      // Give single-thread back-ends an opportunity to clear
-      // queue of ready tasks before allocating a new task
-
-      queue->iff_single_thread_recursive_execute();
-
-      //----------------------------------------
-
-      future_type f ;
-
-      // Allocate task from memory pool
-
-      const size_t alloc_size =
-        queue->template spawn_allocation_size< FunctorType >();
-
-      f.m_task =
-        reinterpret_cast< task_type * >(queue->allocate(alloc_size) );
-
-      if ( f.m_task ) {
-
-        // Placement new construction
-        // Reference count starts at two:
-        //   +1 for the matching decrement when task is complete
-        //   +1 for the future
-        new ( f.m_task ) task_type( std::move(arg_functor) );
-
-        f.m_task->m_apply      = arg_function ;
-        f.m_task->m_queue      = queue ;
-        f.m_task->m_next       = arg_policy.m_dependence.m_task ;
-        f.m_task->m_ref_count  = 2 ;
-        f.m_task->m_alloc_size = alloc_size ;
-        f.m_task->m_task_type  = arg_policy.m_task_type ;
-        f.m_task->m_priority   = arg_policy.m_priority ;
-
-        Kokkos::memory_fence();
-
-        // The dependence (if any) is processed immediately
-        // within the schedule function, as such the dependence's
-        // reference count does not need to be incremented for
-        // the assignment.
-
-        queue->schedule_runnable( f.m_task );
-        // This task may be updated or executed at any moment,
-        // even during the call to 'schedule'.
-      }
-
-      return f ;
-    }
-
-  template< typename FunctorType , typename A1 , typename A2 >
+  Kokkos::BasicFuture<typename FunctorType::value_type, scheduler_type>
+  spawn(
+    Impl::TaskPolicyWithScheduler<TaskEnum, scheduler_type, DepFutureType>&& arg_policy,
+    typename task_base::function_type arg_function,
+    typename task_base::destroy_type arg_destroy,
+    FunctorType&& arg_functor
+  )
+  {
+    return std::move(arg_policy.scheduler()).template _spawn_impl<TaskEnum>(
+      _get_task_ptr(std::move(arg_policy.predecessor())),
+      arg_policy.priority(),
+      arg_function,
+      arg_destroy,
+      std::forward<FunctorType>(arg_functor)
+    );
+  }
+
+  template <int TaskEnum, typename DepFutureType, typename FunctorType>
+  KOKKOS_FUNCTION
+  future_type_for_functor<typename std::decay<FunctorType>::type>
+  spawn(
+    Impl::TaskPolicyWithPredecessor<TaskEnum, DepFutureType>&& arg_policy,
+    FunctorType&& arg_functor
+  )
+  {
+    using task_type = runnable_task_type<FunctorType>;
+    typename task_type::function_type const ptr = task_type::apply;
+    typename task_type::destroy_type const dtor = task_type::destroy;
+
+    return _spawn_impl<TaskEnum>(
+      _get_task_ptr(std::move(arg_policy).predecessor()),
+      arg_policy.priority(),
+      ptr, dtor,
+      std::forward<FunctorType>(arg_functor)
+    );
+  }
+
+  template<typename FunctorType, typename ValueType, typename Scheduler>
   KOKKOS_FUNCTION static
   void
-  respawn( FunctorType         * arg_self
-         , Future<A1,A2> const & arg_dependence
-         , TaskPriority  const & arg_priority
-         )
-    {
-      // Precondition: task is in Executing state
+  respawn(
+    FunctorType* arg_self,
+    BasicFuture<ValueType,Scheduler> const & arg_dependence,
+    TaskPriority  const & arg_priority
+  ) {
+    // Precondition: task is in Executing state
 
-      using value_type  = typename FunctorType::value_type ;
-      using task_type   = Impl::TaskBase< execution_space
-                                        , value_type
-                                        , FunctorType > ;
+    using value_type  = typename FunctorType::value_type ;
+    using task_type = Impl::Task<BasicTaskScheduler, value_type, FunctorType>;
 
-      task_type * const task = static_cast< task_type * >( arg_self );
+    task_type * const task = static_cast< task_type * >( arg_self );
 
-      task->m_priority = static_cast<int>(arg_priority);
+    task->m_priority = static_cast<int>(arg_priority);
 
-      task->add_dependence( arg_dependence.m_task );
+    task->add_dependence( arg_dependence.m_task );
 
-      // Postcondition: task is in Executing-Respawn state
-    }
+    // Postcondition: task is in Executing-Respawn state
+  }
 
   template< typename FunctorType >
   KOKKOS_FUNCTION static
   void
-  respawn( FunctorType         * arg_self
-         , TaskScheduler const &
-         , TaskPriority  const & arg_priority
-         )
-    {
-      // Precondition: task is in Executing state
+  respawn(
+    FunctorType* arg_self,
+    BasicTaskScheduler const &,
+    TaskPriority  const & arg_priority
+  )
+  {
+    // Precondition: task is in Executing state
 
-      using value_type  = typename FunctorType::value_type ;
-      using task_type   = Impl::TaskBase< execution_space
-                                        , value_type
-                                        , FunctorType > ;
+    using value_type = typename FunctorType::value_type;
+    using task_type = Impl::Task<BasicTaskScheduler, value_type, FunctorType>;
 
-      task_type * const task = static_cast< task_type * >( arg_self );
+    task_type * const task = static_cast< task_type * >( arg_self );
 
-      task->m_priority = static_cast<int>(arg_priority);
+    task->m_priority = static_cast<int>(arg_priority);
 
-      task->add_dependence( (task_base*) 0 );
+    task->add_dependence( (task_base*) 0 );
 
-      // Postcondition: task is in Executing-Respawn state
-    }
+    // Postcondition: task is in Executing-Respawn state
+  }
 
   //----------------------------------------
   /**\brief  Return a future that is complete
    *         when all input futures are complete.
    */
-  template< typename A1 , typename A2 >
-  KOKKOS_FUNCTION static
-  Future< execution_space >
-  when_all( Future< A1 , A2 > const arg[] , int narg )
-    {
-      using future_type = Future< execution_space > ;
+  template<typename ValueType>
+  KOKKOS_FUNCTION
+  BasicFuture< void, scheduler_type >
+  when_all(BasicFuture<ValueType, BasicTaskScheduler> const arg[], int narg)
+  {
 
-      future_type f ;
+    future_type<void> f ;
 
-      if ( narg ) {
+    if ( narg ) {
 
-        queue_type * queue = 0 ;
+      queue_type* q = m_queue;
 
-        for ( int i = 0 ; i < narg ; ++i ) {
-          task_base * const t = arg[i].m_task ;
-          if ( 0 != t ) {
-            // Increment reference count to track subsequent assignment.
-            Kokkos::atomic_increment( &(t->m_ref_count) );
-            if ( queue == 0 ) {
-              queue = static_cast< queue_type * >( t->m_queue );
-            }
-            else if ( queue != static_cast< queue_type * >( t->m_queue ) ) {
-              Kokkos::abort("Kokkos when_all Futures must be in the same scheduler" );
-            }
+      //BasicTaskScheduler const* scheduler_ptr = nullptr;
+
+      for ( int i = 0 ; i < narg ; ++i ) {
+        task_base * const t = arg[i].m_task ;
+        if ( nullptr != t ) {
+          // Increment reference count to track subsequent assignment.
+          Kokkos::atomic_increment( &(t->m_ref_count) );
+          if(q != static_cast< queue_type const* >(t->m_queue)) {
+            Kokkos::abort("Kokkos when_all Futures must be in the same scheduler" );
           }
         }
+      }
 
-        if ( queue != 0 ) {
+      if ( q != 0 ) { // this should probably handle the queue == 0 case, but this is deprecated code anyway
 
-          size_t const alloc_size = queue->when_all_allocation_size( narg );
+        size_t const alloc_size = q->when_all_allocation_size( narg );
 
-          f.m_task =
-            reinterpret_cast< task_base * >( queue->allocate( alloc_size ) );
+        f.m_task =
+          reinterpret_cast< task_base * >( q->allocate( alloc_size ) );
+        //f.m_scheduler = *scheduler_ptr;
 
-          if ( f.m_task ) {
+        if ( f.m_task ) {
 
-            // Reference count starts at two:
-            // +1 to match decrement when task completes
-            // +1 for the future
+          // Reference count starts at two:
+          // +1 to match decrement when task completes
+          // +1 for the future
 
-            new( f.m_task ) task_base();
+          new( f.m_task ) task_base();
 
-            f.m_task->m_queue      = queue ;
-            f.m_task->m_ref_count  = 2 ;
-            f.m_task->m_alloc_size = alloc_size ;
-            f.m_task->m_dep_count  = narg ;
-            f.m_task->m_task_type  = task_base::Aggregate ;
+          f.m_task->m_queue = q;
+          f.m_task->m_ref_count = 2 ;
+          f.m_task->m_alloc_size = static_cast<int32_t>(alloc_size);
+          f.m_task->m_dep_count = narg ;
+          f.m_task->m_task_type = task_base::Aggregate ;
 
-            // Assign dependences, reference counts were already incremented
+          // Assign dependences, reference counts were already incremented
 
-            task_base * volatile * const dep =
-              f.m_task->aggregate_dependences();
+          task_base * volatile * const dep =
+            f.m_task->aggregate_dependences();
 
-            for ( int i = 0 ; i < narg ; ++i ) { dep[i] = arg[i].m_task ; }
+          for ( int i = 0 ; i < narg ; ++i ) { dep[i] = arg[i].m_task ; }
 
-            Kokkos::memory_fence();
+          Kokkos::memory_fence();
 
-            queue->schedule_aggregate( f.m_task );
-            // this when_all may be processed at any moment
-          }
+          q->schedule_aggregate( f.m_task );
+          // this when_all may be processed at any moment
         }
       }
-
-      return f ;
     }
 
+    return f ;
+  }
+
   template < class F >
   KOKKOS_FUNCTION
-  Future< execution_space >
+  BasicFuture< void, scheduler_type >
   when_all( int narg , F const func )
     {
       using input_type  = decltype( func(0) );
-      using future_type = Future< execution_space > ;
 
       static_assert( is_future< input_type >::value
                    , "Functor must return a Kokkos::Future" );
 
-      future_type f ;
+      future_type<void> f ;
 
       if ( 0 == narg ) return f ;
 
@@ -711,12 +484,16 @@ public:
         // +1 for the future
 
         new( f.m_task ) task_base();
+        //f.m_scheduler = *this;
 
-        f.m_task->m_queue      = m_queue ;
-        f.m_task->m_ref_count  = 2 ;
-        f.m_task->m_alloc_size = alloc_size ;
-        f.m_task->m_dep_count  = narg ;
-        f.m_task->m_task_type  = task_base::Aggregate ;
+        //f.m_task->m_scheduler = &f.m_scheduler;
+        f.m_task->m_queue = m_queue;
+        f.m_task->m_ref_count = 2 ;
+        f.m_task->m_alloc_size = static_cast<int32_t>(alloc_size);
+        f.m_task->m_dep_count = narg ;
+        f.m_task->m_task_type = task_base::Aggregate ;
+        //f.m_task->m_apply = nullptr;
+        //f.m_task->m_destroy = nullptr;
 
         // Assign dependences, reference counts were already incremented
 
@@ -727,9 +504,10 @@ public:
           const input_type arg_f = func(i);
           if ( 0 != arg_f.m_task ) {
 
-            if ( m_queue != static_cast< queue_type * >( arg_f.m_task->m_queue ) ) {
-              Kokkos::abort("Kokkos when_all Futures must be in the same scheduler" );
-            }
+            // Not scheduled, so task scheduler is not yet set
+            //if ( m_queue != static_cast< BasicTaskScheduler const * >( arg_f.m_task->m_scheduler )->m_queue ) {
+            //  Kokkos::abort("Kokkos when_all Futures must be in the same scheduler" );
+            //}
             // Increment reference count to track subsequent assignment.
             Kokkos::atomic_increment( &(arg_f.m_task->m_ref_count) );
             dep[i] = arg_f.m_task ;
@@ -764,9 +542,9 @@ public:
 
   //----------------------------------------
 
-  template< typename S >
+  template<class S, class Q>
   friend
-  void Kokkos::wait( Kokkos::TaskScheduler< S > const & );
+  void wait(Kokkos::BasicTaskScheduler<S, Q> const&);
 
 };
 
@@ -780,84 +558,122 @@ namespace Kokkos {
 //----------------------------------------------------------------------------
 // Construct a TaskTeam execution policy
 
-template< typename T >
-Kokkos::Impl::TaskPolicyData
-  < Kokkos::Impl::TaskBase<void,void,void>::TaskTeam
-  , typename std::conditional< Kokkos::is_future< T >::value , T ,
-    typename Kokkos::Future< typename T::execution_space > >::type
-  >
+template <class T, class Scheduler>
+Impl::TaskPolicyWithPredecessor<
+  Impl::TaskType::TaskTeam,
+  Kokkos::BasicFuture<T, Scheduler>
+>
 KOKKOS_INLINE_FUNCTION
-TaskTeam( T            const & arg
-        , TaskPriority const & arg_priority = TaskPriority::Regular
-        )
+TaskTeam(
+  Kokkos::BasicFuture<T, Scheduler> arg_future,
+  TaskPriority arg_priority = TaskPriority::Regular
+)
 {
-  static_assert( Kokkos::is_future<T>::value ||
-                 Kokkos::is_scheduler<T>::value
-               , "Kokkos TaskTeam argument must be Future or TaskScheduler" );
-
-  return
-    Kokkos::Impl::TaskPolicyData
-      < Kokkos::Impl::TaskBase<void,void,void>::TaskTeam
-      , typename std::conditional< Kokkos::is_future< T >::value , T ,
-        typename Kokkos::Future< typename T::execution_space > >::type
-      >( arg , arg_priority );
+  return { std::move(arg_future), arg_priority };
 }
 
-template< typename E , typename F >
-Kokkos::Impl::
-  TaskPolicyData< Kokkos::Impl::TaskBase<void,void,void>::TaskTeam , F >
+template <class Scheduler>
+Impl::TaskPolicyWithScheduler<
+  Impl::TaskType::TaskTeam, Scheduler
+>
 KOKKOS_INLINE_FUNCTION
-TaskTeam( TaskScheduler<E> const & arg_scheduler
-        , F                const & arg_future
-        , typename std::enable_if< Kokkos::is_future<F>::value ,
-            TaskPriority >::type const & arg_priority = TaskPriority::Regular
-        )
+TaskTeam(
+  Scheduler arg_scheduler,
+  typename std::enable_if<
+    Kokkos::is_scheduler<Scheduler>::value,
+    TaskPriority
+  >::type arg_priority = TaskPriority::Regular
+)
 {
-  return
-    Kokkos::Impl::TaskPolicyData
-      < Kokkos::Impl::TaskBase<void,void,void>::TaskTeam , F >
-        ( arg_scheduler , arg_future , arg_priority );
+  return { std::move(arg_scheduler), arg_priority };
+}
+
+template<
+  class Scheduler,
+  class PredecessorFuture
+>
+Impl::TaskPolicyWithScheduler<
+  Kokkos::Impl::TaskType::TaskTeam,
+  Scheduler,
+  PredecessorFuture
+>
+KOKKOS_INLINE_FUNCTION
+TaskTeam(
+  Scheduler arg_scheduler,
+  PredecessorFuture arg_future,
+  typename std::enable_if<
+    Kokkos::is_scheduler<Scheduler>::value
+      && Kokkos::is_future<PredecessorFuture>::value,
+    TaskPriority
+  >::type arg_priority = TaskPriority::Regular
+)
+{
+  static_assert(
+    std::is_same<typename PredecessorFuture::scheduler_type, Scheduler>::value,
+    "Can't create a task policy from a scheduler and a future from a different scheduler"
+  );
+
+  return { std::move(arg_scheduler), std::move(arg_future), arg_priority };
 }
 
 // Construct a TaskSingle execution policy
 
-template< typename T >
-Kokkos::Impl::TaskPolicyData
-  < Kokkos::Impl::TaskBase<void,void,void>::TaskSingle
-  , typename std::conditional< Kokkos::is_future< T >::value , T ,
-    typename Kokkos::Future< typename T::execution_space > >::type
-  >
+template <class T, class Scheduler>
+Impl::TaskPolicyWithPredecessor<
+  Impl::TaskType::TaskSingle,
+  Kokkos::BasicFuture<T, Scheduler>
+>
 KOKKOS_INLINE_FUNCTION
-TaskSingle( T            const & arg
-          , TaskPriority const & arg_priority = TaskPriority::Regular
-          )
+TaskSingle(
+  Kokkos::BasicFuture<T, Scheduler> arg_future,
+  TaskPriority arg_priority = TaskPriority::Regular
+)
 {
-  static_assert( Kokkos::is_future<T>::value ||
-                 Kokkos::is_scheduler<T>::value
-               , "Kokkos TaskSingle argument must be Future or TaskScheduler" );
-
-  return
-    Kokkos::Impl::TaskPolicyData
-      < Kokkos::Impl::TaskBase<void,void,void>::TaskSingle
-      , typename std::conditional< Kokkos::is_future< T >::value , T ,
-        typename Kokkos::Future< typename T::execution_space > >::type
-      >( arg , arg_priority );
+  return { std::move(arg_future), arg_priority };
 }
 
-template< typename E , typename F >
-Kokkos::Impl::
-  TaskPolicyData< Kokkos::Impl::TaskBase<void,void,void>::TaskSingle , F >
+template <class Scheduler>
+Impl::TaskPolicyWithScheduler<
+  Impl::TaskType::TaskSingle, Scheduler
+>
 KOKKOS_INLINE_FUNCTION
-TaskSingle( TaskScheduler<E> const & arg_scheduler
-          , F                const & arg_future
-          , typename std::enable_if< Kokkos::is_future<F>::value ,
-              TaskPriority >::type const & arg_priority = TaskPriority::Regular
-          )
+TaskSingle(
+  Scheduler arg_scheduler,
+  typename std::enable_if<
+    Kokkos::is_scheduler<Scheduler>::value,
+    TaskPriority
+  >::type arg_priority = TaskPriority::Regular
+)
 {
-  return
-    Kokkos::Impl::TaskPolicyData
-      < Kokkos::Impl::TaskBase<void,void,void>::TaskSingle , F >
-        ( arg_scheduler , arg_future , arg_priority );
+  return { std::move(arg_scheduler), arg_priority };
+}
+
+template<
+  class Scheduler,
+  class PredecessorFuture
+>
+Impl::TaskPolicyWithScheduler<
+  Kokkos::Impl::TaskType::TaskSingle,
+  Scheduler,
+  PredecessorFuture
+>
+KOKKOS_INLINE_FUNCTION
+TaskSingle(
+  Scheduler arg_scheduler,
+  PredecessorFuture arg_future,
+  typename std::enable_if<
+    Kokkos::is_scheduler<Scheduler>::value
+      && Kokkos::is_future<PredecessorFuture>::value,
+    TaskPriority
+  >::type arg_priority = TaskPriority::Regular
+)
+{
+  static_assert(
+    std::is_same<typename PredecessorFuture::scheduler_type, Scheduler>::value,
+    "Can't create a task policy from a scheduler and a future from a different scheduler"
+  );
+
+  return { std::move(arg_scheduler), std::move(arg_future), arg_priority };
 }
 
 //----------------------------------------------------------------------------
@@ -868,34 +684,31 @@ TaskSingle( TaskScheduler<E> const & arg_scheduler
  *  2) With scheduler or dependence
  *  3) High, Normal, or Low priority
  */
-template< int TaskEnum
-        , typename DepFutureType
-        , typename FunctorType >
-Future< typename FunctorType::value_type
-      , typename DepFutureType::execution_space >
-host_spawn( Impl::TaskPolicyData<TaskEnum,DepFutureType> const & arg_policy
-          , FunctorType                                       && arg_functor
-          )
-{
-  using exec_space = typename DepFutureType::execution_space ;
-  using scheduler  = TaskScheduler< exec_space > ;
-
-  typedef Impl::TaskBase< exec_space
-                        , typename FunctorType::value_type
-                        , FunctorType
-                        > task_type ;
-
-  static_assert( TaskEnum == task_type::TaskTeam ||
-                 TaskEnum == task_type::TaskSingle
-               , "Kokkos host_spawn requires TaskTeam or TaskSingle" );
+template<int TaskEnum, typename Scheduler, typename DepFutureType, typename FunctorType>
+typename Scheduler::template future_type_for_functor<typename std::decay<FunctorType>::type>
+host_spawn(
+  Impl::TaskPolicyWithScheduler<TaskEnum, Scheduler, DepFutureType> arg_policy,
+  FunctorType&& arg_functor
+) {
+  using scheduler_type = Scheduler;
+  using task_type =
+    typename scheduler_type::template runnable_task_type<FunctorType>;
+
+  static_assert(
+    TaskEnum == Impl::TaskType::TaskTeam || TaskEnum == Impl::TaskType::TaskSingle,
+    "Kokkos host_spawn requires TaskTeam or TaskSingle"
+  );
 
   // May be spawning a Cuda task, must use the specialization
   // to query on-device function pointer.
-  typename task_type::function_type const ptr =
-    Kokkos::Impl::TaskQueueSpecialization< exec_space >::
-      template get_function_pointer< task_type >();
-
-  return scheduler::spawn( arg_policy , ptr , std::move(arg_functor) );
+  typename task_type::function_type ptr;
+  typename task_type::destroy_type dtor;
+  Kokkos::Impl::TaskQueueSpecialization< scheduler_type >::
+    template get_function_pointer< task_type >(ptr, dtor);
+
+  return scheduler_type::spawn(
+    std::move(arg_policy), ptr, dtor, std::forward<FunctorType>(arg_functor)
+  );
 }
 
 /**\brief  A task spawns a task with options
@@ -904,39 +717,38 @@ host_spawn( Impl::TaskPolicyData<TaskEnum,DepFutureType> const & arg_policy
  *  2) With scheduler or dependence
  *  3) High, Normal, or Low priority
  */
-template< int TaskEnum
-        , typename DepFutureType
-        , typename FunctorType >
-Future< typename FunctorType::value_type
-      , typename DepFutureType::execution_space >
+template<int TaskEnum, typename Scheduler, typename DepFutureType, typename FunctorType>
+typename Scheduler::template future_type_for_functor<typename std::decay<FunctorType>::type>
 KOKKOS_INLINE_FUNCTION
-task_spawn( Impl::TaskPolicyData<TaskEnum,DepFutureType> const & arg_policy
-          , FunctorType                                       && arg_functor
-          )
+task_spawn(
+  Impl::TaskPolicyWithScheduler<TaskEnum, Scheduler, DepFutureType> arg_policy,
+  FunctorType&& arg_functor
+)
 {
-  using exec_space = typename DepFutureType::execution_space ;
-  using scheduler  = TaskScheduler< exec_space > ;
+  using scheduler_type = Scheduler;
 
-  typedef Impl::TaskBase< exec_space
-                        , typename FunctorType::value_type
-                        , FunctorType
-                        > task_type ;
+  using task_type =
+    typename scheduler_type::template runnable_task_type<FunctorType>;
 
-#if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST ) && \
-    defined( KOKKOS_ENABLE_CUDA )
+ #if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST ) && \
+     defined( KOKKOS_ENABLE_CUDA )
 
-  static_assert( ! std::is_same< Kokkos::Cuda , exec_space >::value
-               , "Error calling Kokkos::task_spawn for Cuda space within Host code" );
+   static_assert( ! std::is_same< Kokkos::Cuda , typename Scheduler::execution_space >::value
+                , "Error calling Kokkos::task_spawn for Cuda space within Host code" );
 
-#endif
+ #endif
 
-  static_assert( TaskEnum == task_type::TaskTeam ||
-                 TaskEnum == task_type::TaskSingle
-               , "Kokkos host_spawn requires TaskTeam or TaskSingle" );
+  static_assert(
+    TaskEnum == Impl::TaskType::TaskTeam || TaskEnum == Impl::TaskType::TaskSingle,
+    "Kokkos task_spawn requires TaskTeam or TaskSingle"
+  );
 
   typename task_type::function_type const ptr = task_type::apply ;
+  typename task_type::destroy_type const dtor = task_type::destroy ;
 
-  return scheduler::spawn( arg_policy , ptr , std::move(arg_functor) );
+  return scheduler_type::spawn(std::move(arg_policy), ptr, dtor,
+    std::forward<FunctorType>(arg_functor)
+  );
 }
 
 /**\brief  A task respawns itself with options
@@ -956,36 +768,42 @@ respawn( FunctorType         * arg_self
                  Kokkos::is_scheduler<T>::value
                , "Kokkos respawn argument must be Future or TaskScheduler" );
 
-  TaskScheduler< typename T::execution_space >::
-    respawn( arg_self , arg , arg_priority );
+  T::scheduler_type::respawn(
+    arg_self , arg , arg_priority
+  );
 }
 
 //----------------------------------------------------------------------------
 
-template< typename A1 , typename A2 >
-KOKKOS_INLINE_FUNCTION
-Future< typename Future< A1 , A2 >::execution_space >
-when_all( Future< A1 , A2 > const arg[]
-        , int                     narg
-        )
-{
-  return TaskScheduler< typename Future<A1,A2>::execution_space >::
-    when_all( arg , narg );
-}
+//template<typename ValueType, typename Scheduler>
+//KOKKOS_INLINE_FUNCTION
+//BasicFuture<void, Scheduler>
+//when_all(BasicFuture<ValueType, Scheduler> const arg[], int narg)
+//{
+//  return BasicFuture<void, Scheduler>::scheduler_type::when_all(arg, narg);
+//}
 
 //----------------------------------------------------------------------------
 // Wait for all runnable tasks to complete
 
-template< typename ExecSpace >
+template<class ExecSpace, class QueueType>
 inline
-void wait( TaskScheduler< ExecSpace > const & scheduler )
-{ scheduler.m_queue->execute(); }
+void wait(BasicTaskScheduler<ExecSpace, QueueType> const& scheduler)
+{
+  using scheduler_type = BasicTaskScheduler<ExecSpace, QueueType>;
+  scheduler_type::specialization::execute(scheduler);
+  //scheduler.m_queue->execute();
+}
 
 } // namespace Kokkos
 
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
+////////////////////////////////////////////////////////////////////////////////
+// END OLD CODE
+////////////////////////////////////////////////////////////////////////////////
+
 #endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
 #endif /* #ifndef KOKKOS_TASKSCHEDULER_HPP */
 
diff --git a/lib/kokkos/core/src/Kokkos_TaskScheduler_fwd.hpp b/lib/kokkos/core/src/Kokkos_TaskScheduler_fwd.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..79d502c729793569bc4261f03db1378217f10429
--- /dev/null
+++ b/lib/kokkos/core/src/Kokkos_TaskScheduler_fwd.hpp
@@ -0,0 +1,249 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_TASKSCHEDULER_FWD_HPP
+#define KOKKOS_TASKSCHEDULER_FWD_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_Core_fwd.hpp>
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+// Forward declarations used in Impl::TaskQueue
+
+template <typename ValueType, typename Scheduler>
+class BasicFuture;
+
+template <class Space, class Queue>
+class SimpleTaskScheduler;
+
+template <class Space, class Queue>
+class BasicTaskScheduler;
+
+template< typename Space >
+struct is_scheduler : public std::false_type {};
+
+template<class Space, class Queue>
+struct is_scheduler<BasicTaskScheduler<Space, Queue>> : public std::true_type {};
+
+template<class Space, class Queue>
+struct is_scheduler<SimpleTaskScheduler<Space, Queue>> : public std::true_type {};
+
+enum class TaskPriority : int {
+  High = 0,
+  Regular = 1,
+  Low = 2
+};
+
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+template <class Device>
+class MemoryPool;
+
+namespace Impl {
+
+template <class TaskQueueTraits>
+class TaskNode;
+
+class TaskBase;
+
+/*\brief  Implementation data for task data management, access, and execution.
+ *  (Deprecated)
+ *  CRTP Inheritance structure to allow static_cast from the
+ *  task root type and a task's FunctorType.
+ *
+ *    TaskBase< Space , ResultType , FunctorType >
+ *      : TaskBase< Space , ResultType , void >
+ *      , FunctorType
+ *      { ... };
+ *
+ *    TaskBase< Space , ResultType , void >
+ *      : TaskBase< Space , void , void >
+ *      { ... };
+ */
+template< typename Space , typename ResultType , typename FunctorType >
+class Task;
+
+class TaskQueueBase;
+
+template< typename Space, typename MemorySpace>
+class TaskQueue;
+
+template< typename ExecSpace, typename MemorySpace>
+class TaskQueueMultiple;
+
+template<
+  typename ExecSpace, typename MemSpace, typename TaskQueueTraits,
+  class MemoryPool = Kokkos::MemoryPool<Kokkos::Device<ExecSpace, MemSpace>>
+>
+class SingleTaskQueue;
+
+template< typename ExecSpace, typename MemSpace, typename TaskQueueTraits, class MemoryPool>
+class MultipleTaskQueue;
+
+struct TaskQueueTraitsLockBased;
+
+template <size_t CircularBufferSize=64>
+struct TaskQueueTraitsChaseLev;
+
+template< typename ResultType >
+struct TaskResult;
+
+struct TaskSchedulerBase;
+
+template <class ExecSpace>
+struct default_tasking_memory_space_for_execution_space
+{
+  using type = typename ExecSpace::memory_space;
+};
+
+#if defined( KOKKOS_ENABLE_CUDA )
+template <>
+struct default_tasking_memory_space_for_execution_space<Kokkos::Cuda>
+{
+  using type = Kokkos::CudaUVMSpace;
+};
+#endif
+
+template <class ExecSpace>
+using default_tasking_memory_space_for_execution_space_t =
+  typename default_tasking_memory_space_for_execution_space<ExecSpace>::type;
+
+} // namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+template< typename Space >
+using DeprecatedTaskScheduler = BasicTaskScheduler<
+  Space,
+  Impl::TaskQueue<Space, Impl::default_tasking_memory_space_for_execution_space_t<Space>>
+>;
+
+template< typename Space >
+using DeprecatedTaskSchedulerMultiple = BasicTaskScheduler<
+  Space,
+  Impl::TaskQueueMultiple<Space, Impl::default_tasking_memory_space_for_execution_space_t<Space>>
+>;
+
+template< typename Space >
+using TaskScheduler = SimpleTaskScheduler<
+  Space,
+  Impl::SingleTaskQueue<
+    Space,
+    Impl::default_tasking_memory_space_for_execution_space_t<Space>,
+    Impl::TaskQueueTraitsLockBased
+  >
+>;
+
+template< typename Space >
+using TaskSchedulerMultiple = SimpleTaskScheduler<
+  Space,
+  Impl::MultipleTaskQueue<
+    Space,
+    Impl::default_tasking_memory_space_for_execution_space_t<Space>,
+    Impl::TaskQueueTraitsLockBased,
+    Kokkos::MemoryPool<
+      Kokkos::Device<
+        Space,
+        Impl::default_tasking_memory_space_for_execution_space_t<Space>
+      >
+    >
+  >
+>;
+
+template< typename Space >
+using ChaseLevTaskScheduler = SimpleTaskScheduler<
+  Space,
+  Impl::MultipleTaskQueue<
+    Space,
+    Impl::default_tasking_memory_space_for_execution_space_t<Space>,
+    Impl::TaskQueueTraitsChaseLev<>,
+    Kokkos::MemoryPool<
+      Kokkos::Device<
+        Space,
+        Impl::default_tasking_memory_space_for_execution_space_t<Space>
+      >
+    >
+  >
+>;
+
+template<class Space, class QueueType>
+void wait(BasicTaskScheduler<Space, QueueType> const&);
+
+namespace Impl {
+
+struct TaskSchedulerBase { };
+
+class TaskQueueBase { };
+
+template <typename Scheduler, typename EnableIfConstraint=void>
+class TaskQueueSpecializationConstrained { };
+
+template <typename Scheduler>
+struct TaskQueueSpecialization : TaskQueueSpecializationConstrained<Scheduler> { };
+
+template <int, typename>
+struct TaskPolicyData;
+
+
+} // end namespace Impl
+
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_TASKSCHEDULER_FWD_HPP */
+
diff --git a/lib/kokkos/core/src/Kokkos_Threads.hpp b/lib/kokkos/core/src/Kokkos_Threads.hpp
index d5e684e4ea26a91d05d2e73e7791596423a48ab9..03dab1acafe1215f0d3c963086d0d95f2e56e5e9 100644
--- a/lib/kokkos/core/src/Kokkos_Threads.hpp
+++ b/lib/kokkos/core/src/Kokkos_Threads.hpp
@@ -105,7 +105,13 @@ public:
   /// return asynchronously, before the functor completes.  This
   /// method does not return until all dispatched functors on this
   /// device have completed.
+  static void impl_static_fence();
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   static void fence();
+  #else
+  void fence() const;
+  #endif
 
   /** \brief  Return the maximum amount of concurrency.  */
   static int concurrency();
diff --git a/lib/kokkos/core/src/Kokkos_View.hpp b/lib/kokkos/core/src/Kokkos_View.hpp
index 754a0ab8c0b3e6985cf8617d5b287e6c16711bfa..3fe8e6f06731f51520dc6b0eb5bdd0d2c28afd70 100644
--- a/lib/kokkos/core/src/Kokkos_View.hpp
+++ b/lib/kokkos/core/src/Kokkos_View.hpp
@@ -74,7 +74,11 @@ template< class DataType , class ArrayLayout
 struct ViewDataAnalysis ;
 
 template< class , class ... >
-class ViewMapping { public: enum { is_assignable = false }; };
+class ViewMapping {
+  public:
+  enum { is_assignable_data_type = false };
+  enum { is_assignable = false };
+};
 
 
 
@@ -97,6 +101,7 @@ std::size_t count_valid_integers(const IntType i0,
 
 }
 
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
 KOKKOS_INLINE_FUNCTION
 void runtime_check_rank_device(const size_t dyn_rank,
                         const bool is_void_spec,
@@ -109,8 +114,6 @@ void runtime_check_rank_device(const size_t dyn_rank,
                         const size_t i6,
                         const size_t i7 ){
 
-#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
-
   if ( is_void_spec ) {
     const size_t num_passed_args = count_valid_integers(i0, i1, i2, i3,
         i4, i5, i6, i7);
@@ -121,10 +124,25 @@ void runtime_check_rank_device(const size_t dyn_rank,
 
     }
   }
-#endif
 }
+#else
+KOKKOS_INLINE_FUNCTION
+void runtime_check_rank_device(const size_t ,
+                        const bool ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t  ){
+
+}
+#endif
 
 #ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
 KOKKOS_INLINE_FUNCTION
 void runtime_check_rank_host(const size_t dyn_rank,
                         const bool is_void_spec,
@@ -137,7 +155,6 @@ void runtime_check_rank_host(const size_t dyn_rank,
                         const size_t i6,
                         const size_t i7, const std::string & label ){
 
-#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
 
   if ( is_void_spec ) {
     const size_t num_passed_args = count_valid_integers(i0, i1, i2, i3,
@@ -150,8 +167,20 @@ void runtime_check_rank_host(const size_t dyn_rank,
       Kokkos::abort(message.c_str()) ;
     }
   }
-#endif
 }
+#else
+KOKKOS_INLINE_FUNCTION
+void runtime_check_rank_host(const size_t ,
+                        const bool ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t ,
+                        const size_t , const std::string &){}
+#endif
 #endif
 
 } /* namespace Impl */
@@ -362,8 +391,8 @@ public:
   typedef typename MemorySpace::size_type  size_type ;
 
   enum { is_hostspace      = std::is_same< MemorySpace , HostSpace >::value };
-  enum { is_managed        = MemoryTraits::Unmanaged    == 0 };
-  enum { is_random_access  = MemoryTraits::RandomAccess == 1 };
+  enum { is_managed        = MemoryTraits::is_unmanaged    == 0 };
+  enum { is_random_access  = MemoryTraits::is_random_access == 1 };
 
   //------------------------------------
 };
@@ -1965,7 +1994,10 @@ public:
 
   template< class RT , class ... RP >
   KOKKOS_INLINE_FUNCTION
-  View( const View<RT,RP...> & rhs )
+  View( const View<RT,RP...> & rhs,
+        typename std::enable_if<Kokkos::Impl::ViewMapping<
+        traits , typename View<RT,RP...>::traits , typename traits::specialize >::is_assignable_data_type>::type* = 0
+     )
     : m_track( rhs.m_track , traits::is_managed )
     , m_map()
     {
@@ -1977,7 +2009,9 @@ public:
 
   template< class RT , class ... RP >
   KOKKOS_INLINE_FUNCTION
-  View & operator = ( const View<RT,RP...> & rhs )
+  typename std::enable_if<Kokkos::Impl::ViewMapping<
+     traits , typename View<RT,RP...>::traits , typename traits::specialize >::is_assignable_data_type,
+     View>::type & operator = ( const View<RT,RP...> & rhs )
     {
       typedef typename View<RT,RP...>::traits  SrcTraits ;
       typedef Kokkos::Impl::ViewMapping< traits , SrcTraits , typename traits::specialize >  Mapping ;
@@ -1994,7 +2028,7 @@ public:
   template< class RT , class ... RP , class Arg0 , class ... Args >
   KOKKOS_INLINE_FUNCTION
   View( const View< RT , RP... > & src_view
-      , const Arg0 & arg0 , Args ... args )
+      , const Arg0 arg0 , Args ... args )
     : m_track( src_view.m_track , traits::is_managed )
     , m_map()
     {
@@ -2077,7 +2111,7 @@ public:
       }
 
       // Copy the input allocation properties with possibly defaulted properties
-      alloc_prop prop( arg_prop );
+      alloc_prop prop_copy( arg_prop );
 
 //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
@@ -2087,18 +2121,18 @@ public:
       // Fence using the trait's executon space (which will be Kokkos::Cuda)
       // to avoid incomplete type errors from usng Kokkos::Cuda directly.
       if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-        traits::device_type::memory_space::execution_space::fence();
+        typename traits::device_type::memory_space::execution_space().fence();
       }
 #endif
 //------------------------------------------------------------
 
       Kokkos::Impl::SharedAllocationRecord<> *
-        record = m_map.allocate_shared( prop , arg_layout );
+        record = m_map.allocate_shared( prop_copy , arg_layout );
 
 //------------------------------------------------------------
 #if defined( KOKKOS_ENABLE_CUDA )
       if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
-        traits::device_type::memory_space::execution_space::fence();
+        typename traits::device_type::memory_space::execution_space().fence();
       }
 #endif
 //------------------------------------------------------------
diff --git a/lib/kokkos/core/src/Kokkos_WorkGraphPolicy.hpp b/lib/kokkos/core/src/Kokkos_WorkGraphPolicy.hpp
index 33a0579df55ac274190115fa518608eb8f47070a..dd5e29a400b52dbf432fefec3115f76ab1d67b11 100644
--- a/lib/kokkos/core/src/Kokkos_WorkGraphPolicy.hpp
+++ b/lib/kokkos/core/src/Kokkos_WorkGraphPolicy.hpp
@@ -55,7 +55,7 @@ class WorkGraphExec;
 namespace Kokkos {
 
 template< class ... Properties >
-class WorkGraphPolicy
+class WorkGraphPolicy: public Kokkos::Impl::PolicyTraits<Properties ... >
 {
 public:
 
@@ -64,7 +64,6 @@ public:
   using traits          = Kokkos::Impl::PolicyTraits<Properties ... >;
   using index_type      = typename traits::index_type;
   using member_type     = index_type;
-  using work_tag        = typename traits::work_tag;
   using execution_space = typename traits::execution_space;
   using memory_space    = typename execution_space::memory_space;
   using graph_type      = Kokkos::Crs<index_type,execution_space,void,index_type>;
@@ -217,7 +216,7 @@ public:
       using closure_type = Kokkos::Impl::ParallelFor<self_type, policy_type>;
       const closure_type closure(*this, policy_type(0, m_queue.size()));
       closure.execute();
-      execution_space::fence();
+      execution_space().fence();
     }
 
     { // execute-after counts
@@ -225,7 +224,7 @@ public:
       using closure_type = Kokkos::Impl::ParallelFor<self_type, policy_type>;
       const closure_type closure(*this,policy_type(0,m_graph.entries.size()));
       closure.execute();
-      execution_space::fence();
+      execution_space().fence();
     }
 
     { // Scheduling ready tasks
@@ -233,7 +232,7 @@ public:
       using closure_type = Kokkos::Impl::ParallelFor<self_type, policy_type>;
       const closure_type closure(*this,policy_type(0,m_graph.numRows()));
       closure.execute();
-      execution_space::fence();
+      execution_space().fence();
     }
   }
 };
@@ -256,4 +255,8 @@ public:
 #include "Threads/Kokkos_Threads_WorkGraphPolicy.hpp"
 #endif
 
+#ifdef KOKKOS_ENABLE_HPX
+#include "HPX/Kokkos_HPX_WorkGraphPolicy.hpp"
+#endif
+
 #endif /* #define KOKKOS_WORKGRAPHPOLICY_HPP */
diff --git a/lib/kokkos/core/src/Makefile b/lib/kokkos/core/src/Makefile
index c2dbddf45e98877756c0a86224d85d857ea06538..ae8dc17510d7c35154732221454c95dc399b92b5 100644
--- a/lib/kokkos/core/src/Makefile
+++ b/lib/kokkos/core/src/Makefile
@@ -40,6 +40,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
   CONDITIONAL_COPIES += copy-openmp
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  CONDITIONAL_COPIES += copy-hpx
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
   CONDITIONAL_COPIES += copy-rocm
 endif
@@ -91,6 +95,10 @@ copy-openmp: mkdir
 	mkdir -p $(PREFIX)/include/OpenMP
 	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_OPENMP) $(PREFIX)/include/OpenMP
 
+copy-hpx: mkdir
+	mkdir -p $(PREFIX)/include/HPX
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_HPX) $(PREFIX)/include/HPX
+
 copy-rocm: mkdir
 	mkdir -p $(PREFIX)/include/ROCm
 	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_ROCM) $(PREFIX)/include/ROCm
diff --git a/lib/kokkos/core/src/Makefile.generate_build_files b/lib/kokkos/core/src/Makefile.generate_build_files
index cc856ee9a328ae1318d225739ee6c5609e03cfe9..651b9d5fe9df2f3a5217f8864bd691b500ec9bdf 100644
--- a/lib/kokkos/core/src/Makefile.generate_build_files
+++ b/lib/kokkos/core/src/Makefile.generate_build_files
@@ -84,6 +84,7 @@ generate_build_settings: $(KOKKOS_CONFIG_HEADER) $(KOKKOS_PKGCONFIG)
 	@$(call kokkos_append_var,KOKKOS_HEADERS_IMPL,'STRING "Kokkos headers impl list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_CUDA,'STRING "Kokkos headers Cuda list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_OPENMP,'STRING "Kokkos headers OpenMP list"')
+	@$(call kokkos_append_var,KOKKOS_HEADERS_HPX,'STRING "Kokkos headers HPX list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_ROCM,'STRING "Kokkos headers ROCm list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_THREADS,'STRING "Kokkos headers Threads list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_QTHREADS,'STRING "Kokkos headers QThreads list"')
@@ -103,11 +104,13 @@ generate_build_settings: $(KOKKOS_CONFIG_HEADER) $(KOKKOS_PKGCONFIG)
 	@$(call kokkos_append_string,"#Internal settings which need to propagated for Kokkos examples")
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_CUDA,'STRING ""')
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_OPENMP,'STRING ""')
+	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_HPX,'STRING ""')
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_PTHREADS,'STRING ""')
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_SERIAL,'STRING ""')
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_ROCM,'STRING ""')
+	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_HPX,'STRING ""')
 	@$(call kokkos_append_var,KOKKOS_INTERNAL_USE_QTHREADS,'STRING ""') # Not in original cmake gen
-	@$(call kokkos_append_cmakefile "mark_as_advanced(KOKKOS_HEADERS KOKKOS_SRC KOKKOS_INTERNAL_USE_CUDA KOKKOS_INTERNAL_USE_OPENMP KOKKOS_INTERNAL_USE_PTHREADS KOKKOS_INTERNAL_USE_SERIAL)")
+	@$(call kokkos_append_cmakefile "mark_as_advanced(KOKKOS_HEADERS KOKKOS_SRC KOKKOS_INTERNAL_USE_CUDA KOKKOS_INTERNAL_USE_OPENMP KOKKOS_INTERNAL_USE_HPX KOKKOS_INTERNAL_USE_PTHREADS KOKKOS_INTERNAL_USE_SERIAL)")
 	@$(call kokkos_append_makefile,"")
 	@$(call kokkos_append_makefile,"#Fake kokkos-clean target")
 	@$(call kokkos_append_makefile,"kokkos-clean:")
diff --git a/lib/kokkos/core/src/Makefile.generate_header_lists b/lib/kokkos/core/src/Makefile.generate_header_lists
index cd308bf8f4a88328601105d08cbc37afed54deb9..afbefb380620cb0ebd525c46392c1a67ecdb69be 100644
--- a/lib/kokkos/core/src/Makefile.generate_header_lists
+++ b/lib/kokkos/core/src/Makefile.generate_header_lists
@@ -22,6 +22,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
   KOKKOS_HEADERS_OPENMP += $(wildcard $(KOKKOS_PATH)/core/src/OpenMP/*.hpp)
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  KOKKOS_HEADERS_HPX += $(wildcard $(KOKKOS_PATH)/core/src/HPX/*.hpp)
+endif
+
 ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
   KOKKOS_HEADERS_ROCM += $(wildcard $(KOKKOS_PATH)/core/src/ROCm/*.hpp)
 endif
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.cpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.cpp
index e57b61d7cbf0aacc7db7fe29367051939157bc07..1946c107417e92bb3855a0681041761be44e394d 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.cpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.cpp
@@ -472,6 +472,10 @@ int OpenMP::concurrency() {
   return Impl::g_openmp_hardware_max_threads;
 }
 
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+void OpenMP::fence() const {}
+#endif
+
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
 
 void OpenMP::initialize( int thread_count , int, int )
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.hpp
index 43fa7888cf7bd67f348a8b3db20aeb7df24a4dbf..5178199ac2f7f4aa59c18fe06c79c814bd581c61 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Exec.hpp
@@ -184,8 +184,13 @@ int OpenMP::impl_thread_pool_rank() noexcept
 #endif
 }
 
+inline
+void OpenMP::impl_static_fence( OpenMP const& instance ) noexcept {}
+
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
 inline
 void OpenMP::fence( OpenMP const& instance ) noexcept {}
+#endif
 
 inline
 bool OpenMP::is_asynchronous( OpenMP const& instance ) noexcept
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp
index e0bb572a3b15bcdc45fb2b8773761f64685418ae..ae6b49f650159d3dd923822db552129d94e30a2b 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp
@@ -128,11 +128,10 @@ public:
       OpenMPExec::verify_is_master("Kokkos::OpenMP parallel_for");
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      const int pool_size = OpenMP::thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-      const int pool_size = OpenMP::impl_thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-      #pragma omp parallel num_threads(pool_size)
       {
         HostThreadTeamData & data = *(m_instance->get_thread_data());
 
@@ -228,11 +227,10 @@ public:
       OpenMPExec::verify_is_master("Kokkos::OpenMP parallel_for");
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      const int pool_size = OpenMP::thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-      const int pool_size = OpenMP::impl_thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-      #pragma omp parallel num_threads(pool_size)
       {
         HostThreadTeamData & data = *(m_instance->get_thread_data());
 
@@ -703,11 +701,10 @@ public:
                                     );
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      const int pool_size = OpenMP::thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-      const int pool_size = OpenMP::impl_thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-      #pragma omp parallel num_threads(pool_size)
       {
         HostThreadTeamData & data = *(m_instance->get_thread_data());
 
@@ -840,11 +837,10 @@ public:
                                     );
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      const int pool_size = OpenMP::thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-      const int pool_size = OpenMP::impl_thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-      #pragma omp parallel num_threads(pool_size)
       {
         HostThreadTeamData & data = *(m_instance->get_thread_data());
 
@@ -1005,11 +1001,10 @@ public:
                                     , thread_local_size );
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      const int pool_size = OpenMP::thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-      const int pool_size = OpenMP::impl_thread_pool_size();
+      #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-      #pragma omp parallel num_threads(pool_size)
       {
         HostThreadTeamData & data = *(m_instance->get_thread_data());
 
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
index 2f2c7684602ab439144d3199566bbaadf3384117..3b1c187c6d2e299232030678e612faaa6b934f28 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
@@ -48,6 +48,8 @@
 
 #include <impl/Kokkos_TaskQueue_impl.hpp>
 #include <impl/Kokkos_HostThreadTeam.hpp>
+#include <OpenMP/Kokkos_OpenMP_Task.hpp>
+#include <cassert>
 
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
@@ -55,200 +57,44 @@
 namespace Kokkos {
 namespace Impl {
 
-template class TaskQueue< Kokkos::OpenMP > ;
+template class TaskQueue< Kokkos::OpenMP, typename Kokkos::OpenMP::memory_space > ;
 
-class HostThreadTeamDataSingleton : private HostThreadTeamData {
-private:
-
-  HostThreadTeamDataSingleton() : HostThreadTeamData()
-    {
-      Kokkos::OpenMP::memory_space space ;
-      const size_t num_pool_reduce_bytes  =   32 ;
-      const size_t num_team_reduce_bytes  =   32 ;
-      const size_t num_team_shared_bytes  = 1024 ;
-      const size_t num_thread_local_bytes = 1024 ;
-      const size_t alloc_bytes =
-        HostThreadTeamData::scratch_size( num_pool_reduce_bytes
-                                        , num_team_reduce_bytes
-                                        , num_team_shared_bytes
-                                        , num_thread_local_bytes );
-
-      HostThreadTeamData::scratch_assign
-        ( space.allocate( alloc_bytes )
-        , alloc_bytes
-        , num_pool_reduce_bytes
-        , num_team_reduce_bytes
-        , num_team_shared_bytes
-        , num_thread_local_bytes );
-    }
-
-  ~HostThreadTeamDataSingleton()
-    {
-      Kokkos::OpenMP::memory_space space ;
-      space.deallocate( HostThreadTeamData::scratch_buffer()
-                      , HostThreadTeamData::scratch_bytes() );
-    }
-
-public:
-
-  static HostThreadTeamData & singleton()
-    {
-      static HostThreadTeamDataSingleton s ;
-      return s ;
-    }
-};
-
-//----------------------------------------------------------------------------
-
-void TaskQueueSpecialization< Kokkos::OpenMP >::execute
-  ( TaskQueue< Kokkos::OpenMP > * const queue )
+HostThreadTeamData& HostThreadTeamDataSingleton::singleton()
 {
-  using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< execution_space > ;
-
-  static task_root_type * const end =
-    (task_root_type *) task_root_type::EndTag ;
-
-
-  HostThreadTeamData & team_data_single =
-    HostThreadTeamDataSingleton::singleton();
-
-  Impl::OpenMPExec * instance = t_openmp_instance;
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-  const int pool_size = OpenMP::thread_pool_size();
-#else
-  const int pool_size = OpenMP::impl_thread_pool_size();
-#endif
-
-  const int team_size = 1;  // Threads per core
-  instance->resize_thread_data( 0 /* global reduce buffer */
-                              , 512 * team_size /* team reduce buffer */
-                              , 0 /* team shared buffer */
-                              , 0 /* thread local buffer */
-                              );
-
-  #pragma omp parallel num_threads(pool_size)
-  {
-    Impl::HostThreadTeamData & self = *(instance->get_thread_data());
-
-    // Organizing threads into a team performs a barrier across the
-    // entire pool to insure proper initialization of the team
-    // rendezvous mechanism before a team rendezvous can be performed.
-
-    if ( self.organize_team( team_size ) ) {
-
-      Member single_exec( team_data_single );
-      Member team_exec( self );
-
-      // Loop until all queues are empty and no tasks in flight
-
-      task_root_type * task = 0 ;
-
-      do {
-        // Each team lead attempts to acquire either a thread team task
-        // or a single thread task for the team.
-
-        if ( 0 == team_exec.team_rank() ) {
-
-          bool leader_loop = false ;
-
-          do {
-
-            if ( 0 != task && end != task ) {
-              // team member #0 completes the previously executed task,
-              // completion may delete the task
-              queue->complete( task );
-            }
-
-            // If 0 == m_ready_count then set task = 0
-
-            task = 0 < *((volatile int *) & queue->m_ready_count) ? end : 0 ;
-
-            // Attempt to acquire a task
-            // Loop by priority and then type
-            for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
-              for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-                task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
-              }
-            }
-
-            // If still tasks are still executing
-            // and no task could be acquired
-            // then continue this leader loop
-            leader_loop = end == task ;
-
-            if ( ( ! leader_loop ) &&
-                 ( 0 != task ) &&
-                 ( task_root_type::TaskSingle == task->m_task_type ) ) {
-
-              // if a single thread task then execute now
-
-              (*task->m_apply)( task , & single_exec );
-
-              leader_loop = true ;
-            }
-          } while ( leader_loop );
-        }
-
-        // Team lead either found 0 == m_ready_count or a team task
-        // Team lead broadcast acquired task:
-
-        team_exec.team_broadcast( task , 0);
-
-        if ( 0 != task ) { // Thread Team Task
-
-          (*task->m_apply)( task , & team_exec );
-
-          // The m_apply function performs a barrier
-        }
-      } while( 0 != task );
-    }
-    self.disband_team();
-  }
+  static HostThreadTeamDataSingleton s;
+  return s;
 }
 
-void TaskQueueSpecialization< Kokkos::OpenMP >::
-  iff_single_thread_recursive_execute
-    ( TaskQueue< Kokkos::OpenMP > * const queue )
+HostThreadTeamDataSingleton::HostThreadTeamDataSingleton()
+  : HostThreadTeamData()
 {
-  using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< execution_space > ;
-
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-  if ( 1 == OpenMP::thread_pool_size() )
-#else
-  if ( 1 == OpenMP::impl_thread_pool_size() )
-#endif
-  {
-
-    task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
-
-    HostThreadTeamData & team_data_single =
-      HostThreadTeamDataSingleton::singleton();
-
-    Member single_exec( team_data_single );
-
-    task_root_type * task = end ;
-
-    do {
-
-      task = end ;
-
-      // Loop by priority and then type
-      for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
-        for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-          task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
-        }
-      }
-
-      if ( end == task ) break ;
-
-      (*task->m_apply)( task , & single_exec );
-
-      queue->complete( task );
+  Kokkos::OpenMP::memory_space space ;
+  const size_t num_pool_reduce_bytes  =   32 ;
+  const size_t num_team_reduce_bytes  =   32 ;
+  const size_t num_team_shared_bytes  = 1024 ;
+  const size_t num_thread_local_bytes = 1024 ;
+  const size_t alloc_bytes =
+    HostThreadTeamData::scratch_size( num_pool_reduce_bytes
+      , num_team_reduce_bytes
+      , num_team_shared_bytes
+      , num_thread_local_bytes );
+
+  HostThreadTeamData::scratch_assign
+    ( space.allocate( alloc_bytes )
+      , alloc_bytes
+      , num_pool_reduce_bytes
+      , num_team_reduce_bytes
+      , num_team_shared_bytes
+      , num_thread_local_bytes );
+}
 
-    } while(1);
-  }
+HostThreadTeamDataSingleton::~HostThreadTeamDataSingleton()
+{
+  Kokkos::OpenMP::memory_space space ;
+  space.deallocate(
+    HostThreadTeamData::scratch_buffer(),
+    static_cast<size_t>(HostThreadTeamData::scratch_bytes())
+  );
 }
 
 }} /* namespace Kokkos::Impl */
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.hpp
index b99c149b06d7acf9d37c3dbc42ad12aafd62e893..4029c015b3ebf6a0c34b3036fea0bd7a58351d31 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.hpp
@@ -47,38 +47,388 @@
 #include <Kokkos_Macros.hpp>
 #if defined( KOKKOS_ENABLE_OPENMP ) && defined( KOKKOS_ENABLE_TASKDAG )
 
+#include <Kokkos_TaskScheduler_fwd.hpp>
+
+#include <impl/Kokkos_HostThreadTeam.hpp>
+#include <Kokkos_OpenMP.hpp>
+
+#include <type_traits>
+#include <cassert>
+
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
 namespace Kokkos {
 namespace Impl {
 
-template<>
-class TaskQueueSpecialization< Kokkos::OpenMP >
+class HostThreadTeamDataSingleton : private HostThreadTeamData {
+private:
+
+  HostThreadTeamDataSingleton();
+  ~HostThreadTeamDataSingleton();
+
+public:
+
+  static HostThreadTeamData & singleton();
+
+};
+
+// Hack this as a partial specialization for now
+// TODO @tasking @cleanup DSH Make this the general class template and make the old code the partial specialization
+template <class QueueType>
+class TaskQueueSpecialization<
+  SimpleTaskScheduler<Kokkos::OpenMP, QueueType>
+>
 {
 public:
 
-  using execution_space = Kokkos::OpenMP ;
-  using queue_type      = Kokkos::Impl::TaskQueue< execution_space > ;
-  using task_base_type  = Kokkos::Impl::TaskBase< void , void , void > ;
-  using member_type     = Kokkos::Impl::HostThreadTeamMember< execution_space > ;
+  using execution_space = Kokkos::OpenMP;
+  using scheduler_type = SimpleTaskScheduler<Kokkos::OpenMP, QueueType>;
+  using member_type = TaskTeamMemberAdapter<
+    Kokkos::Impl::HostThreadTeamMember<execution_space>,
+    scheduler_type
+  >;
+  using memory_space = Kokkos::HostSpace;
+
+  enum : int { max_league_size = HostThreadTeamData::max_pool_members };
+
+  // Must provide task queue execution function
+  static void execute(scheduler_type const& scheduler)
+  {
+    using task_base_type = typename scheduler_type::task_base_type;
+
+    // Unused; ChaseLev queue still needs worker ID even in single case (so we need to use
+    // the thread data from inside of the parallel region.  Team size is fixed at 1 for now
+    // anyway
+    //HostThreadTeamData& team_data_single = HostThreadTeamDataSingleton::singleton();
+
+    // TODO @tasking @generalization DSH use scheduler.get_execution_space().impl() (or something like that) instead of the thread-local variable
+    Impl::OpenMPExec* instance = t_openmp_instance;
+    const int pool_size = get_max_team_count(scheduler.get_execution_space());
+
+    // TODO @tasking @new_feature DSH allow team sizes other than 1
+    const int team_size = 1;  // Threads per core
+    instance->resize_thread_data(
+      0, /* global reduce buffer */
+      512 * team_size, /* team reduce buffer */
+      0, /* team shared buffer */
+      0 /* thread local buffer */
+    );
+    assert(pool_size % team_size == 0);
+
+    auto& queue = scheduler.queue();
+
+    //queue.initialize_team_queues(pool_size / team_size);
+
+    #pragma omp parallel num_threads(pool_size)
+    {
+      Impl::HostThreadTeamData & self = *(instance->get_thread_data());
+
+      // Organizing threads into a team performs a barrier across the
+      // entire pool to insure proper initialization of the team
+      // rendezvous mechanism before a team rendezvous can be performed.
+
+      // organize_team() returns true if this is an active team member
+      if(self.organize_team(team_size)) {
+
+        member_type single_exec(scheduler, self);
+        member_type team_exec(scheduler, self);
+
+        auto& team_scheduler = team_exec.scheduler();
+
+        auto current_task = OptionalRef<task_base_type>(nullptr);
+
+        while(not queue.is_done()) {
+
+          // Each team lead attempts to acquire either a thread team task
+          // or a single thread task for the team.
+          if(team_exec.team_rank() == 0) {
+
+            // loop while both:
+            //   - the queue is not done
+            //   - the most recently popped task is a single task or empty
+            while(not queue.is_done()) {
+
+              current_task = queue.pop_ready_task(team_scheduler.team_scheduler_info());
+
+              if(current_task) {
+
+                if(current_task->is_team_runnable()) {
+                  // break out of the team leader loop to run the team task
+                  break;
+                }
+                else {
+                  KOKKOS_ASSERT(current_task->is_single_runnable());
+                  current_task->as_runnable_task().run(single_exec);
+                  // Respawns are handled in the complete function
+                  queue.complete(
+                    (*std::move(current_task)).as_runnable_task(),
+                    team_scheduler.team_scheduler_info()
+                  );
+                }
+
+              } // end if current_task is not null
+
+              current_task = nullptr;
+
+            } // end team leader loop
+
+          }
+
+          // Otherwise, make sure everyone in the team has the same task
+          team_exec.team_broadcast(current_task, 0);
+
+          if(current_task) {
+            KOKKOS_ASSERT(current_task->is_team_runnable());
+            current_task->as_runnable_task().run(team_exec);
+
+            if(team_exec.team_rank() == 0) {
+              // Respawns are handled in the complete function
+              queue.complete(
+                (*std::move(current_task)).as_runnable_task(),
+                team_scheduler.team_scheduler_info()
+              );
+            }
+
+          }
+
+        }
+      }
+      self.disband_team();
+    } // end pragma omp parallel
+  }
+
+  static uint32_t
+  get_max_team_count(execution_space const& espace) {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    return static_cast<uint32_t>(espace.thread_pool_size());
+#else
+    return static_cast<uint32_t>(espace.impl_thread_pool_size());
+#endif
+  }
+
+  // TODO @tasking @optimization DSH specialize this for trivially destructible types
+  template <typename TaskType>
+  static void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  ) {
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
+};
+
+
+template<class Scheduler>
+class TaskQueueSpecializationConstrained<
+  Scheduler,
+  typename std::enable_if<
+    std::is_same<typename Scheduler::execution_space, Kokkos::OpenMP>::value
+  >::type
+>
+{
+public:
 
-  // Must specify memory space
+  using execution_space = Kokkos::OpenMP;
+  using scheduler_type = Scheduler;
+  using member_type = TaskTeamMemberAdapter<
+    Kokkos::Impl::HostThreadTeamMember<execution_space>,
+    scheduler_type
+  >;
   using memory_space = Kokkos::HostSpace ;
 
+  enum : int { max_league_size = HostThreadTeamData::max_pool_members };
+
   static
-  void iff_single_thread_recursive_execute( queue_type * const );
+  void iff_single_thread_recursive_execute( scheduler_type const& scheduler ) {
+    using task_base_type = typename scheduler_type::task_base;
+    using queue_type = typename scheduler_type::queue_type;
+
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    if ( 1 == OpenMP::thread_pool_size() )
+#else
+    if ( 1 == OpenMP::impl_thread_pool_size() )
+#endif
+    {
+
+      task_base_type * const end = (task_base_type *) task_base_type::EndTag ;
+
+      HostThreadTeamData & team_data_single =
+        HostThreadTeamDataSingleton::singleton();
+
+      member_type single_exec( scheduler, team_data_single );
+
+      task_base_type * task = end ;
+
+      do {
+
+        task = end ;
+
+        // Loop by priority and then type
+        for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+          for ( int j = 0 ; j < 2 && end == task ; ++j ) {
+            task = queue_type::pop_ready_task( & scheduler.m_queue->m_ready[i][j] );
+          }
+        }
+
+        if ( end == task ) break ;
+
+        (*task->m_apply)( task , & single_exec );
+
+        scheduler.m_queue->complete( task );
+
+      } while(1);
+    }
+
+  }
 
   // Must provide task queue execution function
-  static void execute( queue_type * const );
+  static void execute(scheduler_type const& scheduler)
+  {
+    using task_base_type = typename scheduler_type::task_base;
+    using queue_type = typename scheduler_type::queue_type;
+
+    static task_base_type * const end =
+      (task_base_type *) task_base_type::EndTag ;
+
+    constexpr task_base_type* no_more_tasks_sentinel = nullptr;
+
+
+    HostThreadTeamData & team_data_single =
+      HostThreadTeamDataSingleton::singleton();
+
+    Impl::OpenMPExec * instance = t_openmp_instance;
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    const int pool_size = OpenMP::thread_pool_size();
+#else
+    const int pool_size = OpenMP::impl_thread_pool_size();
+#endif
+
+    const int team_size = 1;  // Threads per core
+    instance->resize_thread_data( 0 /* global reduce buffer */
+      , 512 * team_size /* team reduce buffer */
+      , 0 /* team shared buffer */
+      , 0 /* thread local buffer */
+    );
+    assert(pool_size % team_size == 0);
+    auto& queue = scheduler.queue();
+    queue.initialize_team_queues(pool_size / team_size);
+
+#pragma omp parallel num_threads(pool_size)
+    {
+      Impl::HostThreadTeamData & self = *(instance->get_thread_data());
+
+      // Organizing threads into a team performs a barrier across the
+      // entire pool to insure proper initialization of the team
+      // rendezvous mechanism before a team rendezvous can be performed.
+
+      // organize_team() returns true if this is an active team member
+      if ( self.organize_team( team_size ) ) {
+
+        member_type single_exec(scheduler, team_data_single);
+        member_type team_exec(scheduler, self);
+
+        auto& team_queue = team_exec.scheduler().queue();
+
+        // Loop until all queues are empty and no tasks in flight
+
+        task_base_type * task = no_more_tasks_sentinel;
+
+
+        do {
+          // Each team lead attempts to acquire either a thread team task
+          // or a single thread task for the team.
+
+          if ( 0 == team_exec.team_rank() ) {
+
+            bool leader_loop = false ;
+
+            do {
+
+              if ( task != no_more_tasks_sentinel && task != end ) {
+                // team member #0 completes the previously executed task,
+                // completion may delete the task
+                team_queue.complete( task );
+              }
+
+              // If 0 == m_ready_count then set task = 0
+
+              if( *((volatile int *) & team_queue.m_ready_count) > 0 ) {
+                task = end;
+                // Attempt to acquire a task
+                // Loop by priority and then type
+                for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+                  for ( int j = 0 ; j < 2 && end == task ; ++j ) {
+                    task = queue_type::pop_ready_task( & team_queue.m_ready[i][j] );
+                  }
+                }
+              }
+              else {
+                // returns nullptr if and only if all other queues have a ready
+                // count of 0 also. Otherwise, returns a task from another queue
+                // or `end` if one couldn't be popped
+                task = team_queue.attempt_to_steal_task();
+                #if 0
+                if(task != no_more_tasks_sentinel && task != end) {
+                  std::printf("task stolen on rank %d\n", team_exec.league_rank());
+                }
+                #endif
+              }
+
+              // If still tasks are still executing
+              // and no task could be acquired
+              // then continue this leader loop
+              if(task == end) {
+                // this means that the ready task count was not zero, but we
+                // couldn't pop a task (because, for instance, someone else
+                // got there before us
+                leader_loop = true;
+              }
+              else if ( ( task != no_more_tasks_sentinel ) &&
+                ( task_base_type::TaskSingle == task->m_task_type ) ) {
+
+                // if a single thread task then execute now
+
+                (*task->m_apply)(task, &single_exec);
+
+                leader_loop = true;
+              }
+              else {
+                leader_loop = false;
+              }
+            } while ( leader_loop );
+          }
+
+          // Team lead either found 0 == m_ready_count or a team task
+          // Team lead broadcast acquired task:
+
+          team_exec.team_broadcast( task , 0);
+
+          if ( task != no_more_tasks_sentinel ) { // Thread Team Task
+
+            (*task->m_apply)( task , & team_exec );
+
+            // The m_apply function performs a barrier
+          }
+        } while( task != no_more_tasks_sentinel );
+      }
+      self.disband_team();
+    } // end pragma omp parallel
+  }
 
   template< typename TaskType >
-  static
-  typename TaskType::function_type
-  get_function_pointer() { return TaskType::apply ; }
+  static void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  ) { 
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
 };
 
-extern template class TaskQueue< Kokkos::OpenMP > ;
+extern template class TaskQueue< Kokkos::OpenMP, typename Kokkos::OpenMP::memory_space > ;
 
 }} /* namespace Kokkos::Impl */
 
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
index e8fbc467e095785ff4f7b763eed45709e66786f3..38b062bdc02c24fb4701402f448061f0f1492c05 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
@@ -74,6 +74,21 @@ public:
     return *this;
   }
 
+  template<class ExecSpace, class ... OtherProperties >
+  friend class TeamPolicyInternal;
+
+  template< class ... OtherProperties >
+  TeamPolicyInternal(const TeamPolicyInternal<Kokkos::OpenMP,OtherProperties...>& p) {
+    m_league_size = p.m_league_size;
+    m_team_size = p.m_team_size;
+    m_team_alloc = p.m_team_alloc;
+    m_team_iter = p.m_team_iter;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+  }
   //----------------------------------------
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
@@ -208,7 +223,7 @@ public:
   }
 
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( typename traits::execution_space &
+  TeamPolicyInternal( const typename traits::execution_space &
             , int league_size_request
             , int team_size_request
             , int /* vector_length_request */ = 1 )
@@ -217,14 +232,18 @@ public:
             , m_chunk_size(0)
     { init( league_size_request , team_size_request ); }
 
-  TeamPolicyInternal( typename traits::execution_space &
+  TeamPolicyInternal( const typename traits::execution_space &
             , int league_size_request
             , const Kokkos::AUTO_t & /* team_size_request */
             , int /* vector_length_request */ = 1)
             : m_team_scratch_size { 0 , 0 }
             , m_thread_scratch_size { 0 , 0 }
             , m_chunk_size(0)
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     { init( league_size_request , traits::execution_space::thread_pool_size(2) ); }
+#else
+    { init( league_size_request , traits::execution_space::impl_thread_pool_size(2) ); }
+#endif
 
   TeamPolicyInternal( int league_size_request
             , int team_size_request
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_WorkGraphPolicy.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_WorkGraphPolicy.hpp
index 879d5d2d24f51732a71a6c8e0abd9042475e012d..0742575cb8ce0346c662ae1e270da463d0349178 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_WorkGraphPolicy.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_WorkGraphPolicy.hpp
@@ -76,11 +76,10 @@ public:
   void execute()
   {
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-    const int pool_size = OpenMP::thread_pool_size();
+    #pragma omp parallel num_threads(OpenMP::thread_pool_size())
 #else
-    const int pool_size = OpenMP::impl_thread_pool_size();
+    #pragma omp parallel num_threads(OpenMP::impl_thread_pool_size())
 #endif
-    #pragma omp parallel num_threads(pool_size)
     {
       // Spin until COMPLETED_TOKEN.
       // END_TOKEN indicates no work is currently available.
diff --git a/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Parallel.hpp b/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Parallel.hpp
index fc31a91b224d51176cdb0f39b45e9cbb6792aeca..c93a88606da4630cbca920064834e9eb4361f41d 100644
--- a/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Parallel.hpp
+++ b/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Parallel.hpp
@@ -697,13 +697,13 @@ namespace Impl {
     const iType increment;
 
     inline
-    TeamThreadRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, const iType& count):
+    TeamThreadRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, iType count):
       start( thread_.team_rank() ),
       end( count ),
       increment( thread_.team_size() )
     {}
     inline
-    TeamThreadRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, const iType& begin_, const iType& end_):
+    TeamThreadRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, iType begin_, iType end_):
       start( begin_+thread_.team_rank() ),
       end( end_ ),
       increment( thread_.team_size() )
@@ -718,13 +718,13 @@ namespace Impl {
     const index_type increment;
 
     inline
-    ThreadVectorRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, const index_type& count):
+    ThreadVectorRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, index_type count):
       start( thread_.m_vector_lane ),
       end( count ),
       increment( thread_.m_vector_length )
     {}
     inline
-    ThreadVectorRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, const index_type& begin_, const index_type& end_):
+    ThreadVectorRangeBoundariesStruct (const OpenMPTargetExecTeamMember& thread_, index_type begin_, index_type end_):
       start( begin_+thread_.m_vector_lane ),
       end( end_ ),
       increment( thread_.m_vector_length )
@@ -734,28 +734,28 @@ namespace Impl {
   template<typename iType>
   KOKKOS_INLINE_FUNCTION
   Impl::TeamThreadRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>
-    TeamThreadRange(const Impl::OpenMPTargetExecTeamMember& thread, const iType& count) {
+    TeamThreadRange(const Impl::OpenMPTargetExecTeamMember& thread, iType count) {
     return Impl::TeamThreadRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>(thread,count);
   }
   
   template<typename iType>
   KOKKOS_INLINE_FUNCTION
   Impl::TeamThreadRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>
-    TeamThreadRange(const Impl::OpenMPTargetExecTeamMember& thread, const iType& begin, const iType& end) {
+    TeamThreadRange(const Impl::OpenMPTargetExecTeamMember& thread, iType begin, iType end) {
     return Impl::TeamThreadRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>(thread,begin,end);
   }
 
   template<typename iType>
   KOKKOS_INLINE_FUNCTION
   Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember >
-    ThreadVectorRange(const Impl::OpenMPTargetExecTeamMember& thread, const iType& count) {
+    ThreadVectorRange(const Impl::OpenMPTargetExecTeamMember& thread, iType count) {
     return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember >(thread,count);
   }
 
   template<typename iType>
   KOKKOS_INLINE_FUNCTION
   Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>
-    ThreadVectorRange(const Impl::OpenMPTargetExecTeamMember& thread, const iType& begin, const iType& end) {
+    ThreadVectorRange(const Impl::OpenMPTargetExecTeamMember& thread, iType begin, iType end) {
     return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::OpenMPTargetExecTeamMember>(thread,begin,end);
   }
 
diff --git a/lib/kokkos/core/src/Qthreads/Kokkos_Qthreads_Parallel.hpp b/lib/kokkos/core/src/Qthreads/Kokkos_Qthreads_Parallel.hpp
index 5ad90436afd9ffb5e0cf671150d40a3a4504886b..7b1b63befeb9290b44ca82144507ae2e179b7080 100644
--- a/lib/kokkos/core/src/Qthreads/Kokkos_Qthreads_Parallel.hpp
+++ b/lib/kokkos/core/src/Qthreads/Kokkos_Qthreads_Parallel.hpp
@@ -51,7 +51,6 @@
 
 #include <Kokkos_Parallel.hpp>
 
-#include <impl/Kokkos_StaticAssert.hpp>
 #include <impl/Kokkos_FunctorAdapter.hpp>
 
 #include <Qthreads/Kokkos_QthreadsExec.hpp>
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
index 205e6a29553942e117f1d9d125f3b16128f59734..3e81883278dd39958b9b39ab537f254830ce4327 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
@@ -227,7 +227,7 @@ struct ROCmParallelLaunch< DriverType
 
 //#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
 //      ROCM_SAFE_CALL( rocmGetLastError() );
-//      Kokkos::ROCm::fence();
+//      Kokkos::ROCm().fence();
 //#endif
     }
   }
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
index edd1c12e45072b30fbe25d6d0a89d0085f2877c2..48654555b23fb8bb78d907fe6bef7cea126c004f 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
@@ -86,6 +86,21 @@ public:
     return *this;
   }
 
+  template<class ExecSpace, class ... OtherProperties >
+  friend class TeamPolicyInternal;
+
+  template< class ... OtherProperties >
+  TeamPolicyInternal(const TeamPolicyInternal<Kokkos::Experimental::ROCm,OtherProperties...>& p) {
+    m_league_size = p.m_league_size;
+    m_team_size = p.m_team_size;
+    m_vector_length = p.m_vector_length;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+  }
+
   TeamPolicyInternal()
     : m_league_size( 0 )
     , m_team_size( 0 )
@@ -1099,7 +1114,7 @@ public:
 
       ROCmParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
 
-      ROCM::fence();
+      ROCM().fence();
 
       if ( m_result_ptr ) {
           const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
@@ -1494,14 +1509,14 @@ namespace Kokkos {
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>
-  TeamThreadRange(const Impl::ROCmTeamMember& thread, const iType& count) {
+  TeamThreadRange(const Impl::ROCmTeamMember& thread, iType count) {
   return Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>(thread,count);
 }
 
 template<typename iType1,typename iType2>
 KOKKOS_INLINE_FUNCTION
 Impl::TeamThreadRangeBoundariesStruct<typename std::common_type< iType1, iType2 >::type,Impl::ROCmTeamMember>
-  TeamThreadRange(const Impl::ROCmTeamMember& thread, const iType1& begin, const iType2& end) {
+  TeamThreadRange(const Impl::ROCmTeamMember& thread, iType1 begin, iType2 end) {
   typedef typename std::common_type< iType1, iType2 >::type iType;
   return Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>(thread,begin,end);
 }
@@ -1509,14 +1524,14 @@ Impl::TeamThreadRangeBoundariesStruct<typename std::common_type< iType1, iType2
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >
-  ThreadVectorRange(const Impl::ROCmTeamMember& thread, const iType& count) {
+  ThreadVectorRange(const Impl::ROCmTeamMember& thread, iType count) {
   return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >(thread,count);
 }
 
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
 Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >
-  ThreadVectorRange(const Impl::ROCmTeamMember& thread, const iType& arg_begin, const iType& arg_end) {
+  ThreadVectorRange(const Impl::ROCmTeamMember& thread, iType arg_begin, iType arg_end) {
   return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >(thread,arg_begin,arg_end);
 }
 
diff --git a/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp b/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp
index 559d6f2fcb1aae81d678114ae8687b5fa0d61967..347778f28967a1eead1e4e9f34a65f3e8171c15f 100644
--- a/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp
+++ b/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp
@@ -804,6 +804,10 @@ int Threads::concurrency() {
   return impl_thread_pool_size(0);
 #endif
 }
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+void Threads::fence() const
+{ Impl::ThreadsExec::fence() ; }
+#endif
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
 Threads & Threads::instance(int)
diff --git a/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp b/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp
index 61d7667d58352488c824bdd94e9d8655f3902714..7af9d9e065246c402fb205363e5438cf1198bcb0 100644
--- a/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp
+++ b/lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp
@@ -649,8 +649,12 @@ inline bool Threads::wake()
 { return Impl::ThreadsExec::wake() ; }
 #endif
 
+inline void Threads::impl_static_fence()
+{ Impl::ThreadsExec::fence() ; }
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
 inline void Threads::fence()
 { Impl::ThreadsExec::fence() ; }
+#endif
 
 } /* namespace Kokkos */
 
diff --git a/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp b/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
index e88abdba5083928cbc6b60438aef983de821454e..9d6c0fa8cf249cc6a7cce5902507047f32a439fc 100644
--- a/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
+++ b/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
@@ -72,9 +72,12 @@ private:
 
   enum { TEAM_REDUCE_SIZE = 512 };
 
+public:
   typedef Kokkos::Threads execution_space ;
-  typedef execution_space::scratch_memory_space space ;
+  typedef execution_space::scratch_memory_space scratch_memory_space ;
 
+private:
+  typedef execution_space::scratch_memory_space space ;
   ThreadsExec * const   m_exec ;
   ThreadsExec * const * m_team_base ; ///< Base for team fan-in
   space                 m_team_shared ;
@@ -228,14 +231,20 @@ public:
     }
 #endif
 
+    template< typename ReducerType >
+    KOKKOS_INLINE_FUNCTION
+    typename std::enable_if< is_reducer< ReducerType >::value >::type
+    team_reduce( ReducerType const & reducer ) const noexcept
+    { team_reduce(reducer,reducer.reference()); }
+
     template< typename ReducerType >
     KOKKOS_INLINE_FUNCTION
     typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
   #if ! defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
-    team_reduce( const ReducerType & ) const
+    team_reduce( const ReducerType &, const typename ReducerType::value_type ) const
       {}
   #else
-    team_reduce( const ReducerType & reducer ) const
+    team_reduce( const ReducerType & reducer, const typename ReducerType::value_type contribution  ) const
     {
       typedef typename ReducerType::value_type value_type;
       // Make sure there is enough scratch space:
@@ -247,7 +256,7 @@ public:
       type * const local_value = ((type*) m_exec->scratch_memory());
 
       // Set this thread's contribution
-      *local_value = reducer.reference() ;
+      *local_value = contribution ;
 
       // Fence to make sure the base team member has access:
       memory_fence();
@@ -277,58 +286,7 @@ public:
     }
   #endif
 
-  template< class ValueType, class JoinOp >
-  KOKKOS_INLINE_FUNCTION ValueType
-    team_reduce( const ValueType & value
-               , const JoinOp & op_in ) const
-  #if ! defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
-    { return ValueType(); }
-  #else
-    {
-      typedef ValueType value_type;
-      const JoinLambdaAdapter<value_type,JoinOp> op(op_in);
-  #endif
-#if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
-      // Make sure there is enough scratch space:
-      typedef typename if_c< sizeof(value_type) < TEAM_REDUCE_SIZE
-                           , value_type , void >::type type ;
-
-      if ( 0 == m_exec ) return value ;
-
-      type * const local_value = ((type*) m_exec->scratch_memory());
-
-      // Set this thread's contribution
-      *local_value = value ;
-
-      // Fence to make sure the base team member has access:
-      memory_fence();
-
-      if ( team_fan_in() ) {
-        // The last thread to synchronize returns true, all other threads wait for team_fan_out()
-        type * const team_value = ((type*) m_team_base[0]->scratch_memory());
-
-        // Join to the team value:
-        for ( int i = 1 ; i < m_team_size ; ++i ) {
-          op.join( *team_value , *((type*) m_team_base[i]->scratch_memory()) );
-        }
-
-        // Team base thread may "lap" member threads so copy out to their local value.
-        for ( int i = 1 ; i < m_team_size ; ++i ) {
-          *((type*) m_team_base[i]->scratch_memory()) = *team_value ;
-        }
-
-        // Fence to make sure all team members have access
-        memory_fence();
-      }
-
-      team_fan_out();
-
-      // Value was changed by the team base
-      return *((type volatile const *) local_value);
-    }
-#endif
-
-  /** \brief  Intra-team exclusive prefix sum with team_rank() ordering
+   /** \brief  Intra-team exclusive prefix sum with team_rank() ordering
    *          with intra-team non-deterministic ordering accumulation.
    *
    *  The global inter-team accumulation value will, at the end of the
@@ -645,6 +603,22 @@ public:
     return *this;
   }
 
+  template<class ExecSpace, class ... OtherProperties >
+  friend class TeamPolicyInternal;
+
+  template< class ... OtherProperties >
+  TeamPolicyInternal(const TeamPolicyInternal<Kokkos::Threads,OtherProperties...>& p) {
+    m_league_size = p.m_league_size;
+    m_team_size = p.m_team_size;
+    m_team_alloc = p.m_team_alloc;
+    m_team_iter = p.m_team_iter;
+    m_team_scratch_size[0] = p.m_team_scratch_size[0];
+    m_thread_scratch_size[0] = p.m_thread_scratch_size[0];
+    m_team_scratch_size[1] = p.m_team_scratch_size[1];
+    m_thread_scratch_size[1] = p.m_thread_scratch_size[1];
+    m_chunk_size = p.m_chunk_size;
+  }
+
   //----------------------------------------
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
@@ -734,7 +708,7 @@ public:
   inline int team_iter() const { return m_team_iter ; }
 
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( typename traits::execution_space &
+  TeamPolicyInternal( const typename traits::execution_space &
             , int league_size_request
             , int team_size_request
             , int vector_length_request = 1 )
@@ -747,7 +721,7 @@ public:
     { init(league_size_request,team_size_request); (void) vector_length_request; }
 
   /** \brief  Specify league size, request team size */
-  TeamPolicyInternal( typename traits::execution_space &
+  TeamPolicyInternal( const typename traits::execution_space &
             , int league_size_request
             , const Kokkos::AUTO_t & /* team_size_request */
             , int /* vector_length_request */ = 1 )
@@ -757,7 +731,11 @@ public:
     , m_team_scratch_size { 0 , 0 }
     , m_thread_scratch_size { 0 , 0 }
     , m_chunk_size(0)
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     { init(league_size_request,traits::execution_space::thread_pool_size(2)); }
+#else
+    { init(league_size_request,traits::execution_space::impl_thread_pool_size(2)); }
+#endif
 
   TeamPolicyInternal( int league_size_request
             , int team_size_request
@@ -924,6 +902,23 @@ TeamThreadRange( const Impl::ThreadsExecTeamMember& thread, const iType1 & begin
   return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::ThreadsExecTeamMember >( thread, iType(begin), iType(end) );
 }
 
+template< typename iType >
+KOKKOS_INLINE_FUNCTION
+Impl::TeamThreadRangeBoundariesStruct< iType, Impl::ThreadsExecTeamMember >
+TeamVectorRange( const Impl::ThreadsExecTeamMember& thread, const iType& count )
+{
+  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::ThreadsExecTeamMember >( thread, count );
+}
+
+template< typename iType1, typename iType2 >
+KOKKOS_INLINE_FUNCTION
+Impl::TeamThreadRangeBoundariesStruct< typename std::common_type< iType1, iType2 >::type,
+                                       Impl::ThreadsExecTeamMember>
+TeamVectorRange( const Impl::ThreadsExecTeamMember& thread, const iType1 & begin, const iType2 & end )
+{
+  typedef typename std::common_type< iType1, iType2 >::type iType;
+  return Impl::TeamThreadRangeBoundariesStruct< iType, Impl::ThreadsExecTeamMember >( thread, iType(begin), iType(end) );
+}
 
 template<typename iType>
 KOKKOS_INLINE_FUNCTION
@@ -974,15 +969,18 @@ typename std::enable_if< !Kokkos::is_reducer< ValueType >::value >::type
 parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ThreadsExecTeamMember>& loop_boundaries,
                      const Lambda & lambda, ValueType& result) {
 
-  result = ValueType();
+  ValueType intermediate;
+  Sum<ValueType> sum(intermediate);
+  sum.init(intermediate);
 
   for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
     ValueType tmp = ValueType();
     lambda(i,tmp);
-    result+=tmp;
+    intermediate+=tmp;
   }
 
-  result = loop_boundaries.thread.team_reduce(result,Impl::JoinAdd<ValueType>());
+  loop_boundaries.thread.team_reduce(sum,intermediate);
+  result = sum.reference();
 }
 
 template< typename iType, class Lambda, typename ReducerType >
@@ -991,36 +989,14 @@ typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
 parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ThreadsExecTeamMember>& loop_boundaries,
                      const Lambda & lambda, const ReducerType& reducer) {
 
-  reducer.init(reducer.reference());
-
-  for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
-    lambda(i,reducer.reference());
-  }
-
-  loop_boundaries.thread.team_reduce(reducer);
-}
-
-/** \brief  Intra-thread vector parallel_reduce. Executes lambda(iType i, ValueType & val) for each i=0..N-1.
- *
- * The range i=0..N-1 is mapped to all vector lanes of the the calling thread and a reduction of
- * val is performed using JoinType(ValueType& val, const ValueType& update) and put into init_result.
- * The input value of init_result is used as initializer for temporary variables of ValueType. Therefore
- * the input value should be the neutral element with respect to the join operation (e.g. '0 for +-' or
- * '1 for *'). This functionality requires C++11 support.*/
-template< typename iType, class Lambda, typename ValueType, class JoinType >
-KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ThreadsExecTeamMember>& loop_boundaries,
-                     const Lambda & lambda, const JoinType& join, ValueType& init_result) {
-
-  ValueType result = init_result;
+  typename ReducerType::value_type value;
+  reducer.init(value);
 
   for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
-    ValueType tmp = ValueType();
-    lambda(i,tmp);
-    join(result,tmp);
+    lambda(i,value);
   }
 
-  init_result = loop_boundaries.thread.team_reduce(result,Impl::JoinLambdaAdapter<ValueType,JoinType>(join));
+  loop_boundaries.thread.team_reduce(reducer,value);
 }
 
 } //namespace Kokkos
@@ -1068,25 +1044,6 @@ parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::Thread
   }
 }
 
-/** \brief  Intra-thread vector parallel_reduce. Executes lambda(iType i, ValueType & val) for each i=0..N-1.
- *
- * The range i=0..N-1 is mapped to all vector lanes of the the calling thread and a reduction of
- * val is performed using JoinType(ValueType& val, const ValueType& update) and put into init_result.
- * The input value of init_result is used as initializer for temporary variables of ValueType. Therefore
- * the input value should be the neutral element with respect to the join operation (e.g. '0 for +-' or
- * '1 for *'). This functionality requires C++11 support.*/
-template< typename iType, class Lambda, typename ValueType, class JoinType >
-KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ThreadsExecTeamMember >&
-      loop_boundaries, const Lambda & lambda, const JoinType& join, ValueType& result ) {
-
-#ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
-#pragma ivdep
-#endif
-  for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
-    lambda(i,result);
-  }
-}
 
 /** \brief  Intra-thread vector parallel exclusive prefix sum. Executes lambda(iType i, ValueType & val, bool final)
  *          for each i=0..N-1.
diff --git a/lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp b/lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp
index 42269176ed0d1ef46c0775ae59ab3e8f23a50f4a..022a5fc1882b7774d0e0e91e347ace742dc8ef24 100644
--- a/lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp
+++ b/lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp
@@ -52,7 +52,6 @@
 
 #include <Kokkos_Parallel.hpp>
 
-#include <impl/Kokkos_StaticAssert.hpp>
 #include <impl/Kokkos_FunctorAdapter.hpp>
 
 #include <KokkosExp_MDRangePolicy.hpp>
diff --git a/lib/kokkos/core/src/eti/CMakeLists.txt b/lib/kokkos/core/src/eti/CMakeLists.txt
index a4db7a7eb6461d38c023b4e3b7893447dc94f8f2..a7e7717a6e60ff8f276b60e5fe9eac1cd46ce98d 100644
--- a/lib/kokkos/core/src/eti/CMakeLists.txt
+++ b/lib/kokkos/core/src/eti/CMakeLists.txt
@@ -4,6 +4,9 @@ endif()
 if (KOKKOS_ENABLE_OPENMP)
   add_subdirectory(OpenMP)
 endif()
+if (KOKKOS_ENABLE_HPX)
+  add_subdirectory(HPX)
+endif()
 if (KOKKOS_ENABLE_ROCM)
   add_subdirectory(ROCm)
 endif()
diff --git a/lib/kokkos/core/src/eti/HPX/CMakeLists.txt b/lib/kokkos/core/src/eti/HPX/CMakeLists.txt
new file mode 100644
index 0000000000000000000000000000000000000000..131a2d2e6e1ef94b324793be71d075cad3950bc9
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/CMakeLists.txt
@@ -0,0 +1,148 @@
+set(D "${CMAKE_CURRENT_SOURCE_DIR}")
+set(ETI_SOURCES
+${ETI_SOURCES}
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
+${D}/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
+PARENT_SCOPE)
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..905c97c54e1759d94df14bec1d9f0202d5b8609c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a7632852cec2bb3af415a3756bf2d9c1fcb9b35d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cff22240cfcc7adaef7a1bd947678054b823b518
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..2b667c674fc1c770399ec26cf798f7d83061f012
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cd1a445d81b3af6bdad240929d70531189e1f7dc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3d805d5134ff7ffdb2ba7604dbb4ba36ab210d08
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3883d581b67ee7af447d91938c0357c74fb46835
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..55f3e200a5be7df68884ff1bdd950c5598a1038e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ed6d57260bdbdeedf45ba383c219ba317a575e6b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ed1954e683cef4a7ccacd537060fdaa0fb94899a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fb8dadb8d04764c33c08b948c73deedc823d827d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..16a0ed3e9c188fa4d76e5718402a7661b057bca6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f846f94a9696800b7bed317eb65f3408c708c8fc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f4b51a1d785dfcd9df5db937e778bc41341d95ea
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..622b3119bd09c5aba2bbbc863b484415c4fbcb7d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..de871103dd37a3cf77770020c922c4342865404b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..720e075aeaf1ba8d201c768c4755a9079e28ec78
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4c57c457c2ef76534c7abb17582403a2877def53
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5a37da22c4508f857f7995565bbda68209560a88
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..93a96ee5540b639170da77238c8440325ecd3923
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..dcfcc8a0e32679e507656e8bb444b3b3a758f6e5
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7082701282d6b059c101f7790f20c7fef6ef9d8e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cbbd7c9ef37328d681056fba9b35709ec019fa96
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..22d6fc53878af6b2fbe987cda5f7b0e556dd367e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d44e95e67eb0fbf779ee481066088f81c158413b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ae79919c42a53f14fe7c02c79cf9d050ce0a0b6b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0c671ad593ba55d04870ea09268574f125c385d7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..24dd1c8354cb5c3106b5e461ff7dcdf7e53175c4
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6e2de8a02eadfeb656ac51df77fda81952dda58c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..38840ac9e666ac214477a4bfbbaf64add24572f7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bcb105628ba9afd7c242573dea3537b4c703bc2f
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8730f92f205e0eb95e800662f20802b39aedcbc5
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..785996558ba88a3398c19c6f884040bdc799a950
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3ae193ca6538cfd34f2d577c0d93ee5b834d6d6a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..81f91019d6b7c2bb9648bd95d4ca8463d18e31ee
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d34a4870b901ebef253d4d41e06c28aeefb09236
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0da5ed177064720ab4badd869410db35a49ee3ea
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..444dad079bc79e880e3428e0b0919430a5a1c9e5
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3f36a1d7142116aa060d05f1bf4f062b0f7d49f1
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..51c964b92db3a8e5cde1b99e9593465493f28aa1
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1a26522ff5dc6430fb713abfb7d039213e897861
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9bd9af3fe39081d2a66e77f6b6ba3e75ace98f03
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..dd5a32553543426569d83326d8b6c6cfe8e9ec26
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..30a44c0a8016f9ee7c5ea75224f3505f7f26276f
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0b73280c6e4add7410f84d1d515fef6f646f100f
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3997d8ca583ec3f62af7b746ab998bf61bb11eb3
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6cbaa59223448b3df19d8647233a4aba88f26075
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..351001c8d17fa4821133a14847b079a56176aa67
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d37e34af30391dc55c00274d22730db6df35548f
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7609d9478f9010b7e5fffa1dd64cd3ea907431ba
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..30f0c1d882a77216fde13264c0f62b682b4efcbc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4c4109e298f76aea84a237af60705d2601875d37
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..189245d352e3db7fd8253d160bce2ad957987dca
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..921a8e88c7b1718827993c4a2bc58b1a736b0a7d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7e492aa25f15d162a382f4cf4cbd27e7bd7b6391
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..13b1a78d7c24fbef53dd937508eb6c744ea2bb15
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..03fa72c21cfd2a923b679cbec4cf80bf436fa34e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..10a46bcd9d9787583f26c27d96f134953974800c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4c23c7e796429f775373b73163b96ef5a8cb2ff7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1bc7ab41f784e575e7f4eef67dd709d7844737d9
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutLeft,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0206838af6b1ec64f37ccbd9f1bb5c223ae329de
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..78b67a4a2a682dbc65d26c73e2721a88ec89e409
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..564f530d9badbe2ac387751d1d93d86533ea5323
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..b5ae4ae52a39d2da5b70f5a14c5e965dbbb8aadc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..b2c91a1aa12af806ef7ac96f664b63e47c5a6368
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..18e3f2b9b9b9039b51a314a39bb38340ae1b8209
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutRight,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e3d08c6e385e1d5de36d59842b7fd5df1cf12aaa
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5001fc278144cfc71b49095dc76fe4c75704638e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fd45308d150c355f5e6a45be28730af89ca1ad90
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d2fca731512938b25a5b64a9a3cf17161dbc5170
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c7fafd4aec1e4ee14d7f8b267459475d717f0f5c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..046aafa6ad2c73d9f4f9be1c692bfc59eb93dcab
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutRight, Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutLeft,  Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutStride,Experimental::HPX,int64_t)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutStride,Experimental::HPX,int64_t)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..60f78b7a570cb4bd95dbcbbabc51f912a3c4d949
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..304a5afc0d616ef1afd673b99799455f2b4ffdd8
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8aeaf8a1f8258cb77843b95500e9892c360588e4
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..26ff7aefede90891d2474789c329fbba299bf5e6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..518d000eeac14f57da8fa613226f5a120970ec20
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..36b3b4fab8ca31dce0ae50849cb20fc5d37a2af2
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..df5c890a49483237ed3e03216553498cc119d8db
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..b120215692e5bc829bdf12e8b7498a6a5488842b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9b5e4c2e5fa906a9ba8cd4f8c9903fabc771f13a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..74ad489303e38c50298e7f8acb6fc02dd20dc730
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bc9dbc65c1d09c9e86924da12298dbee44eedeb7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fbd98c8011cdc9e96a155d5c288e0de828eb7960
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d52c5306d0655716938c7156927e65a9ba8113e7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5cc29daaca5d0b7d06cdd35532099320f5f631cc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double**,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double**,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7e63d802365990194184476652d8684a1c84b11a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double***,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double***,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..11447c11b5021ef43cac8518bae26da81ef806a0
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bafe266044030e224e4099f83593e23ff8f8e76a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double*****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double*****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e4ef20c3707ffbe8f135ba75657395842c1a43d1
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(double********,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(double********,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fb00c3bfd33715fe4e18423057b58108fb44b9fe
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..12718353e8a67aade7e3ac394bf66c763591d9da
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c9ab75062d39cd51812f90c444592c9c17e5aaf0
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..71380c21a2d8db7edddd3d05446f3049a80dd57b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9787086a807c3e6912d796ff3710b3e4983de0ba
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..81072d77cb4ceaa588ae989740bacc8901b7e4e0
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..363b05baceb7b4c7f4b11b073cac62c277e9a45c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ce1bc89e01dab7cfabe328963c068a9f370c2296
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4af590818c0cbaacf501531824f2757d22565591
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ad399eff7692b671568125aacc50f2d5479287fc
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..661edef66846942afa164445a9b7c2f34b50eb6b
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..48cb4a34b10d626efea176fb015b37112bc264f6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d2f88bb243acfc6b0a241c81164aa9b40e3dcc90
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..58ce6f19110e8d5ead4acb9d222bfb8877dd9bf8
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float**,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float**,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bc4efab1e444444b3416741c810e7835502af184
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float***,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float***,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6225cf97208034d75345996617c865d90dc4158c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e50472d85090980481b1dfadb0f55371ed1aeb85
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float*****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float*****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5ad427acc59e0d31e9848578e72c64a5ef9726a4
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(float********,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(float********,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4ae2437fc8715ceab8e1a07db3d9f4fc14bf7ddd
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..02a2b8e1d93de4a7ded9791663ea484a9b0f9ab0
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ff693c9b4f66539843243095fee1441584e5fb3c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d96960d4a79c5e09d9ebc9157e365f7cee50e4e6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..05c3ef68ebfb29c5860a610cc06cb0c4819ee929
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d96f47ece0fd642453f4ef101b2951286994ce15
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..208933899e6d3506f784c8129eddbf850b048b82
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..aa7d9b8f15883ec27ec3148a219b9838302f9e8f
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e43a1783fd4b04228a9234551d9fd9d4bbce579c
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..67060748197f3a5d4664e9b699558dea9a28ecef
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cd7082dcb3a87c06e227339a50631aad11dd754e
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8735d5860501f08d47916ddf4092a24c589ef8d7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ec371dcba7f93698618042cec625b2f42ab97b3d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..354da997949538e319b6cc1ce8fd6f62ca104acd
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t**,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t**,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bbc32aba039b4a98c9900f30815ca71e0b0caa6d
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t***,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t***,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..addbbb291aad2e5b7dbe9de37e88830d3090aaf3
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..dbebda1594b8b93efb279866e7a8955fd1523766
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t*****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t*****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f8a89b4226d10b85e1380d5c592876580c148ffd
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int64_t********,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int64_t********,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..7f0b9fc346b085bb61571565f4f8ca82c8117204
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4a31e60a3a0e3034ae46674d250897eac8f4bc40
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e876da3a6c731264e3c6d54a2aeda51259cba484
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a7ee2c554d3bcfd0cebc03ab476b5feb38b41ae9
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4769c235bcfacf59e24433d52e2ef3e2ce2d03c7
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3ac618b5dda64937008193e7fff84c30ab851a37
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutLeft,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutLeft,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..825bee722ff20ae3d19de31b87ecdf85f4d6dc1a
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..44e24e57f37fe9e73be969df685464bb5420a914
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0b18c7e5c027f311b99b23da563b4e2b6eb10b93
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..951d770305cff8d2567a9cfd8bf8a561c2a78a59
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a0e80d764d23f2c0b9f19d9cf856d456b17f7dd5
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d8cd0155affe169534c46ebb6d24bbb49f182259
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutRight,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutRight,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c4bd8a043a08c8c140f82ace7ba3e9be9b5bcad2
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..566eb71e4d22ba85a36946fec6743d4078b2e5dd
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int**,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int**,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4b99a8fd0c74affa1cfc9cad6a24d7e80a138680
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int***,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int***,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6cf55bb5b42eb257390be9234325372c210aa183
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..932a322bac0c41121ee011632a23a464d0014a09
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int*****,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int*****,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f46a156a9332d0c33b51f0d35d6b58c0a1b10015
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
@@ -0,0 +1,54 @@
+//@HEADER
+// ************************************************************************
+// 
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+// 
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Kokkos is licensed under 3-clause BSD terms of use:
+// 
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+// 
+// ************************************************************************
+//@HEADER
+
+#define KOKKOS_IMPL_COMPILING_LIBRARY true
+#include<Kokkos_Core.hpp>
+namespace Kokkos {
+namespace Impl {
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutRight, Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutLeft,  Experimental::HPX,int)
+KOKKOS_IMPL_VIEWCOPY_ETI_INST(int********,LayoutStride,LayoutStride,Experimental::HPX,int)
+KOKKOS_IMPL_VIEWFILL_ETI_INST(int********,LayoutStride,Experimental::HPX,int)
+
+}
+}
diff --git a/lib/kokkos/core/src/eti/HPX/Makefile.eti_HPX b/lib/kokkos/core/src/eti/HPX/Makefile.eti_HPX
new file mode 100644
index 0000000000000000000000000000000000000000..904f32fb825c91d14589f4f273a6218c87a9fca6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/HPX/Makefile.eti_HPX
@@ -0,0 +1,288 @@
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
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+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
+Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/HPX/Kokkos_HPX_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/impl/Kokkos_AnalyzePolicy.hpp b/lib/kokkos/core/src/impl/Kokkos_AnalyzePolicy.hpp
index d27c2e13061fc33d3bec1f1b9d3955448db70a1a..50af5ec82e41104fb8129d42f4467dd16a14d282 100644
--- a/lib/kokkos/core/src/impl/Kokkos_AnalyzePolicy.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_AnalyzePolicy.hpp
@@ -56,11 +56,12 @@ template < typename ExecutionSpace   = void
          , typename IndexType        = void
          , typename IterationPattern = void
          , typename LaunchBounds     = void
+         , typename MyWorkItemProperty = Kokkos::Experimental::WorkItemProperty::None_t
          >
 struct PolicyTraitsBase
 {
   using type = PolicyTraitsBase< ExecutionSpace, Schedule, WorkTag, IndexType, 
-               IterationPattern, LaunchBounds>;
+               IterationPattern, LaunchBounds, MyWorkItemProperty>;
 
   using execution_space   = ExecutionSpace;
   using schedule_type     = Schedule;
@@ -68,8 +69,23 @@ struct PolicyTraitsBase
   using index_type        = IndexType;
   using iteration_pattern = IterationPattern;
   using launch_bounds     = LaunchBounds;
+  using work_item_property = MyWorkItemProperty;
 };
 
+template <typename PolicyBase, typename Property>
+struct SetWorkItemProperty
+{
+  static_assert( std::is_same<typename PolicyBase::work_item_property,Kokkos::Experimental::WorkItemProperty::None_t>::value
+               , "Kokkos Error: More than one work item property given" );
+  using type = PolicyTraitsBase< typename PolicyBase::execution_space
+                               , typename PolicyBase::schedule_type
+                               , typename PolicyBase::work_tag
+                               , typename PolicyBase::index_type
+                               , typename PolicyBase::iteration_pattern
+                               , typename PolicyBase::launch_bounds
+                               , Property
+                               >;
+};
 
 template <typename PolicyBase, typename ExecutionSpace>
 struct SetExecutionSpace
@@ -82,6 +98,7 @@ struct SetExecutionSpace
                                , typename PolicyBase::index_type
                                , typename PolicyBase::iteration_pattern
                                , typename PolicyBase::launch_bounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -96,6 +113,7 @@ struct SetSchedule
                                , typename PolicyBase::index_type
                                , typename PolicyBase::iteration_pattern
                                , typename PolicyBase::launch_bounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -110,6 +128,7 @@ struct SetWorkTag
                                , typename PolicyBase::index_type
                                , typename PolicyBase::iteration_pattern
                                , typename PolicyBase::launch_bounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -124,6 +143,7 @@ struct SetIndexType
                                , IndexType
                                , typename PolicyBase::iteration_pattern
                                , typename PolicyBase::launch_bounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -139,6 +159,7 @@ struct SetIterationPattern
                                , typename PolicyBase::index_type
                                , IterationPattern
                                , typename PolicyBase::launch_bounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -154,6 +175,7 @@ struct SetLaunchBounds
                                , typename PolicyBase::index_type
                                , typename PolicyBase::iteration_pattern
                                , LaunchBounds
+                               , typename PolicyBase::work_item_property
                                >;
 };
 
@@ -170,8 +192,9 @@ struct AnalyzePolicy<Base, T, Traits...> : public
     , typename std::conditional< std::is_integral<T>::value    , SetIndexType<Base, IndexType<T> >
     , typename std::conditional< is_iteration_pattern<T>::value, SetIterationPattern<Base,T>
     , typename std::conditional< is_launch_bounds<T>::value    , SetLaunchBounds<Base,T>
+    , typename std::conditional< Experimental::is_work_item_property<T>::value, SetWorkItemProperty<Base,T>
     , SetWorkTag<Base,T>
-    >::type >::type >::type >::type >::type>::type::type
+    >::type >::type >::type >::type >::type>::type>::type::type
   , Traits...
   >
 {};
@@ -208,13 +231,15 @@ struct AnalyzePolicy<Base>
                                                      , typename Base::launch_bounds
                                                      >::type;
 
+  using work_item_property = typename Base::work_item_property;
+
   using type = PolicyTraitsBase< execution_space
                                , schedule_type
                                , work_tag
                                , index_type
                                , iteration_pattern
                                , launch_bounds
-                               >;
+                               , work_item_property>;
 };
 
 template <typename... Traits>
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
index 3d99b075689bd2521575a4388b7e1f3aa07a7a4c..63067c137ace503e4e8360e89b5e4bb34eaa6f37 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
@@ -53,6 +53,13 @@
 #include<Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp>
 #endif
 
+#include <impl/Kokkos_Atomic_Memory_Order.hpp>
+#include <impl/Kokkos_Memory_Fence.hpp>
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp>
+#endif
+
 namespace Kokkos {
 
 //----------------------------------------------------------------------------
@@ -326,7 +333,165 @@ bool atomic_compare_exchange_strong(volatile T* const dest, const T compare, con
 }
 //----------------------------------------------------------------------------
 
+namespace Impl {
+// memory-ordered versions are in the Impl namespace
+
+template <class T, class MemoryOrderFailure>
+KOKKOS_INLINE_FUNCTION
+bool _atomic_compare_exchange_strong_fallback(
+  T* dest, T compare, T val, memory_order_seq_cst_t, MemoryOrderFailure
+)
+{
+  Kokkos::memory_fence();
+  auto rv = Kokkos::atomic_compare_exchange_strong(
+    dest, compare, val
+  );
+  Kokkos::memory_fence();
+  return rv;
+}
+
+template <class T, class MemoryOrderFailure>
+KOKKOS_INLINE_FUNCTION
+bool _atomic_compare_exchange_strong_fallback(
+  T* dest, T compare, T val, memory_order_acquire_t, MemoryOrderFailure
+)
+{
+  auto rv = Kokkos::atomic_compare_exchange_strong(
+    dest, compare, val
+  );
+  Kokkos::memory_fence();
+  return rv;
+}
+
+template <class T, class MemoryOrderFailure>
+KOKKOS_INLINE_FUNCTION
+bool _atomic_compare_exchange_strong_fallback(
+  T* dest, T compare, T val, memory_order_release_t, MemoryOrderFailure
+)
+{
+  Kokkos::memory_fence();
+  return Kokkos::atomic_compare_exchange_strong(
+    dest, compare, val
+  );
+}
+
+template <class T, class MemoryOrderFailure>
+KOKKOS_INLINE_FUNCTION
+bool _atomic_compare_exchange_strong_fallback(
+  T* dest, T compare, T val, memory_order_relaxed_t, MemoryOrderFailure
+)
+{
+  return Kokkos::atomic_compare_exchange_strong(
+    dest, compare, val
+  );
+}
+
+#if (defined(KOKKOS_ENABLE_GNU_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || (defined(KOKKOS_ENABLE_INTEL_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+
+#if defined(__CUDA_ARCH__)
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH __inline__ __device__
+#else
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH inline
+#endif
+
+template <class T, class MemoryOrderSuccess, class MemoryOrderFailure>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+bool _atomic_compare_exchange_strong(
+  T* dest, T compare, T val,
+  MemoryOrderSuccess,
+  MemoryOrderFailure,
+  typename std::enable_if<
+    (
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    )
+    && std::is_same<
+      typename MemoryOrderSuccess::memory_order,
+      typename std::remove_cv<MemoryOrderSuccess>::type
+    >::value
+    && std::is_same<
+      typename MemoryOrderFailure::memory_order,
+      typename std::remove_cv<MemoryOrderFailure>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  return __atomic_compare_exchange_n(
+    dest, &compare, val, /* weak = */ false,
+    MemoryOrderSuccess::gnu_constant,
+    MemoryOrderFailure::gnu_constant
+  );
+}
+
+template <class T, class MemoryOrderSuccess, class MemoryOrderFailure>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+bool _atomic_compare_exchange_strong(
+  T* dest, T compare, T val,
+  MemoryOrderSuccess order_success,
+  MemoryOrderFailure order_failure,
+  typename std::enable_if<
+    !(
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    )
+    && std::is_same<
+      typename MemoryOrderSuccess::memory_order,
+      typename std::remove_cv<MemoryOrderSuccess>::type
+    >::value
+    && std::is_same<
+      typename MemoryOrderFailure::memory_order,
+      typename std::remove_cv<MemoryOrderFailure>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  return _atomic_compare_exchange_fallback(
+    dest, compare, val,
+    order_success, order_failure
+  );
+}
+
+#else
+
+template <class T, class MemoryOrderSuccess, class MemoryOrderFailure>
+KOKKOS_INLINE_FUNCTION
+bool _atomic_compare_exchange_strong(
+  T* dest, T compare, T val,
+  MemoryOrderSuccess order_success,
+  MemoryOrderFailure order_failure
+) {
+  return _atomic_compare_exchange_strong_fallback(
+    dest, compare, val, order_success, order_failure
+  );
+}
+
+#endif
+
+// TODO static asserts in overloads that don't make sense (as listed in https://gcc.gnu.org/onlinedocs/gcc-5.2.0/gcc/_005f_005fatomic-Builtins.html)
+template <class T, class MemoryOrderSuccess, class MemoryOrderFailure>
+KOKKOS_FORCEINLINE_FUNCTION
+bool atomic_compare_exchange_strong(
+  T* dest, T compare, T val,
+  MemoryOrderSuccess order_success,
+  MemoryOrderFailure order_failure
+) {
+  return _atomic_compare_exchange_strong(dest, compare, val, order_success, order_failure);
+}
+
+
+} // end namespace Impl
+
 } // namespace Kokkos
 
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp>
+#endif
+
 #endif
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Weak.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Weak.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..3abc8ed4b7c77137069c0356045e3e0363fdc4e6
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Weak.hpp
@@ -0,0 +1,418 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+#include <xmmintrin.h>
+#endif
+
+#include <Kokkos_Macros.hpp>
+#include <Kokkos_Atomic.hpp>
+#ifndef KOKKOS_ATOMIC_COMPARE_EXCHANGE_WEAK_HPP
+#define KOKKOS_ATOMIC_COMPARE_EXCHANGE_WEAK_HPP
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include<Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp>
+#endif
+
+namespace Kokkos {
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+// Cuda sm_70 or greater supports C++-like semantics directly
+
+#if defined( KOKKOS_ENABLE_CUDA )
+
+#if defined(__CUDA_ARCH__) || defined(KOKKOS_IMPL_CUDA_CLANG_WORKAROUND)
+
+
+#if __CUDA_ARCH__ >= 700
+// See: https://github.com/ogiroux/freestanding
+#  define kokkos_cuda_internal_cas_release_32(ptr, old, expected, desired) \
+  asm volatile("atom.cas.release.sys.b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#  define kokkos_cuda_internal_cas_acquire_32(ptr, old, expected, desired) \
+  asm volatile("atom.cas.acquire.sys.b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#  define kokkos_cuda_internal_cas_acq_rel_32(ptr, old, expected, desired) \
+  asm volatile("atom.cas.acq_rel.sys.b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#  define kokkos_cuda_internal_cas_relaxed_32(ptr, old, expected, desired) \
+  asm volatile("atom.cas.relaxed.sys.b32 %0, [%1], %2, %3;" : "=r"(old) : "l"(ptr), "r"(expected), "r"(desired) : "memory")
+#  define kokkos_cuda_internal_fence_seq_cst() asm volatile("fence.sc.sys;" : : : "memory")
+#  define kokkos_cuda_internal_fence_acq_rel() asm volatile("fence.acq_rel.sys;" : : : "memory")
+#else
+#  define kokkos_cuda_internal_fence_acq_rel() asm volatile("membar.sys;" : : : "memory")
+#  define kokkos_cuda_internal_fence_seq_cst() asm volatile("membar.sys;" : : : "memory")
+#endif
+
+
+// 32-bit version
+template <class T,
+  typename std::enable_if<sizeof(T) == 4, int>::type = 0
+>
+__inline__ __device__
+bool
+atomic_compare_exchange_weak(
+  T volatile* const dest,
+  T* const expected,
+  T const desired,
+  std::memory_order success_order = std::memory_order_seq_cst,
+  std::memory_order failure_order = std::memory_order_seq_cst
+) {
+  // TODO assert that success_order >= failure_order
+  // See: https://github.com/ogiroux/freestanding
+  int32_t tmp = 0;
+  int32_t old = 0;
+  memcpy(&tmp, &desired, sizeof(T));
+  memcpy(&old, expected, sizeof(T));
+  int32_t old_tmp = old;
+#if __CUDA_ARCH__ >= 700
+  switch(success_order) {
+    case std::memory_order_seq_cst:
+      // sequentially consistent is just an acquire with a seq_cst fence
+      kokkos_cuda_internal_fence_seq_cst();
+      kokkos_cuda_internal_cas_acquire_32((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_acquire:
+      kokkos_cuda_internal_cas_acquire_32((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_consume:
+      // same as acquire on PTX compatible platforms
+      kokkos_cuda_internal_cas_acquire_32((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_acq_rel:
+      kokkos_cuda_internal_cas_acq_rel_32((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_release:
+      kokkos_cuda_internal_cas_release_32((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_relaxed:
+      kokkos_cuda_internal_cas_relaxed_32((T*)dest, old, old_tmp, tmp);
+      break;
+  };
+#else
+  // All of the orders that require a fence before the relaxed atomic operation:
+  if(
+    success_order == std::memory_order_release
+    || success_order == std::memory_order_acq_rel
+  ) {
+    kokkos_cuda_internal_fence_acq_rel();
+  }
+  else if(success_order == std::memory_order_seq_cst) {
+    kokkos_cuda_internal_fence_seq_cst();
+  }
+  // This is relaxed: 
+  // Cuda API requires casting away volatile
+  atomicCAS((T*)dest, old_tmp, tmp);
+#endif
+  bool const rv = (old == old_tmp);
+#if __CUDA_ARCH__ < 700
+  if(rv) {
+    if(
+      success_order == std::memory_order_acquire
+      || success_order == std::memory_order_consume
+      || success_order == std::memory_order_acq_rel
+    ) {
+      kokkos_cuda_internal_fence_acq_rel();
+    }
+    else if(success_order == std::memory_order_seq_cst) {
+      kokkos_cuda_internal_fence_seq_cst();
+    }
+  }
+  else {
+    if(
+      failure_order == std::memory_order_acquire
+      || failure_order == std::memory_order_consume
+      || failure_order == std::memory_order_acq_rel
+    ) {
+      kokkos_cuda_internal_fence_acq_rel();
+    }
+    else if(failure_order == std::memory_order_seq_cst) {
+      kokkos_cuda_internal_fence_seq_cst();
+    }
+  }
+#endif
+  memcpy(expected, &old, sizeof(T));
+  return rv;
+}
+
+// 64-bit version
+template <class T,
+  typename std::enable_if<sizeof(T) == 8, int>::type = 0
+>
+bool
+atomic_compare_exchange_weak(
+  T volatile* const dest,
+  T* const expected,
+  T const desired,
+  std::memory_order success_order = std::memory_order_seq_cst,
+  std::memory_order failure_order = std::memory_order_seq_cst
+) {
+  // TODO assert that success_order >= failure_order
+  // See: https://github.com/ogiroux/freestanding
+  int64_t tmp = 0;
+  int64_t old = 0;
+  memcpy(&tmp, &desired, sizeof(T));
+  memcpy(&old, expected, sizeof(T));
+  int64_t old_tmp = old;
+#if __CUDA_ARCH__ >= 700
+  switch(success_order) {
+    case std::memory_order_seq_cst:
+      // sequentially consistent is just an acquire with a seq_cst fence
+      kokkos_cuda_internal_fence_seq_cst();
+      kokkos_cuda_internal_cas_acquire_64((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_acquire:
+      kokkos_cuda_internal_cas_acquire_64((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_consume:
+      // same as acquire on PTX compatible platforms
+      kokkos_cuda_internal_cas_acquire_64((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_acq_rel:
+      kokkos_cuda_internal_cas_acq_rel_64((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_release:
+      kokkos_cuda_internal_cas_release_64((T*)dest, old, old_tmp, tmp);
+      break;
+    case std::memory_order_relaxed:
+      kokkos_cuda_internal_cas_relaxed_64((T*)dest, old, old_tmp, tmp);
+      break;
+  };
+#else
+  // Cuda API requires casting away volatile
+  atomicCAS((T*)dest, old_tmp, tmp);
+#endif
+  bool const rv = (old == old_tmp);
+  memcpy(expected, &old, sizeof(T));
+  return rv;
+}
+
+#endif // defined(__CUDA_ARCH__) || defined(KOKKOS_IMPL_CUDA_CLANG_WORKAROUND)
+
+#endif // defined( KOKKOS_ENABLE_CUDA )
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+// GCC native CAS supports int, long, unsigned int, unsigned long.
+// Intel native CAS support int and long with the same interface as GCC.
+#if !defined(KOKKOS_ENABLE_ROCM_ATOMICS)
+#if !defined(__CUDA_ARCH__) || defined(KOKKOS_IMPL_CUDA_CLANG_WORKAROUND)
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) || defined(KOKKOS_ENABLE_INTEL_ATOMICS)
+
+inline
+int atomic_compare_exchange( volatile int * const dest, const int compare, const int val)
+{
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+  return __sync_val_compare_and_swap(dest,compare,val);
+}
+
+inline
+long atomic_compare_exchange( volatile long * const dest, const long compare, const long val )
+{ 
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+  return __sync_val_compare_and_swap(dest,compare,val);
+}
+
+#if defined( KOKKOS_ENABLE_GNU_ATOMICS )
+
+// GCC supports unsigned
+
+inline
+unsigned int atomic_compare_exchange( volatile unsigned int * const dest, const unsigned int compare, const unsigned int val )
+{ return __sync_val_compare_and_swap(dest,compare,val); }
+
+inline
+unsigned long atomic_compare_exchange( volatile unsigned long * const dest ,
+                                       const unsigned long compare ,
+                                       const unsigned long val )
+{ return __sync_val_compare_and_swap(dest,compare,val); }
+
+#endif
+
+template < typename T >
+inline
+T atomic_compare_exchange( volatile T * const dest, const T & compare,
+  typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int) , const T & >::type val )
+{
+  union U {
+    int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {};
+  } tmp ;
+
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+
+  tmp.i = __sync_val_compare_and_swap( (int*) dest , *((int*)&compare) , *((int*)&val) );
+  return tmp.t ;
+}
+
+template < typename T >
+inline
+T atomic_compare_exchange( volatile T * const dest, const T & compare,
+  typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
+                                    sizeof(T) == sizeof(long) , const T & >::type val )
+{
+  union U {
+    long i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {};
+  } tmp ;
+
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+
+  tmp.i = __sync_val_compare_and_swap( (long*) dest , *((long*)&compare) , *((long*)&val) );
+  return tmp.t ;
+}
+
+#if defined( KOKKOS_ENABLE_ASM) && defined ( KOKKOS_ENABLE_ISA_X86_64 )
+template < typename T >
+inline
+T atomic_compare_exchange( volatile T * const dest, const T & compare,
+  typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
+                                    sizeof(T) != sizeof(long) &&
+                                    sizeof(T) == sizeof(Impl::cas128_t), const T & >::type val )
+{
+  union U {
+    Impl::cas128_t i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {};
+  } tmp ;
+
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+
+  tmp.i = Impl::cas128( (Impl::cas128_t*) dest , *((Impl::cas128_t*)&compare) , *((Impl::cas128_t*)&val) );
+  return tmp.t ;
+}
+#endif
+
+template < typename T >
+inline
+T atomic_compare_exchange( volatile T * const dest , const T compare ,
+    typename Kokkos::Impl::enable_if<
+                  ( sizeof(T) != 4 )
+               && ( sizeof(T) != 8 )
+            #if defined(KOKKOS_ENABLE_ASM) && defined ( KOKKOS_ENABLE_ISA_X86_64 )
+               && ( sizeof(T) != 16 )
+            #endif
+             , const T >::type& val )
+{
+#if defined( KOKKOS_ENABLE_RFO_PREFETCH )
+  _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
+#endif
+
+  while( !Impl::lock_address_host_space( (void*) dest ) );
+  T return_val = *dest;
+  if( return_val == compare ) {
+    // Don't use the following line of code here:
+    //
+    //const T tmp = *dest = val;
+    //
+    // Instead, put each assignment in its own statement.  This is
+    // because the overload of T::operator= for volatile *this should
+    // return void, not volatile T&.  See Kokkos #177:
+    //
+    // https://github.com/kokkos/kokkos/issues/177
+    *dest = val;
+    const T tmp = *dest;
+    #ifndef KOKKOS_COMPILER_CLANG
+    (void) tmp;
+    #endif
+  }
+  Impl::unlock_address_host_space( (void*) dest );
+  return return_val;
+}
+//----------------------------------------------------------------------------
+
+#elif defined( KOKKOS_ENABLE_OPENMP_ATOMICS )
+
+template< typename T >
+KOKKOS_INLINE_FUNCTION
+T atomic_compare_exchange( volatile T * const dest, const T compare, const T val )
+{
+  T retval;
+#pragma omp critical
+  {
+    retval = dest[0];
+    if ( retval == compare )
+        dest[0] = val;
+  }
+  return retval;
+}
+
+#elif defined( KOKKOS_ENABLE_SERIAL_ATOMICS )
+
+template< typename T >
+KOKKOS_INLINE_FUNCTION
+T atomic_compare_exchange( volatile T * const dest_v, const T compare, const T val )
+{
+  T* dest = const_cast<T*>(dest_v);
+  T retval = *dest;
+  if (retval == compare) *dest = val;
+  return retval;
+}
+
+#endif
+#endif
+#endif // !defined ROCM_ATOMICS
+
+template <typename T>
+KOKKOS_INLINE_FUNCTION
+bool atomic_compare_exchange_strong(volatile T* const dest, const T compare, const T val)
+{
+  return compare == atomic_compare_exchange(dest, compare, val);
+}
+//----------------------------------------------------------------------------
+
+} // namespace Kokkos
+
+#endif
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
index d6fab811332bc4aba65118d9da96582c42db1b6c..495fd48477a872c1e8fac5b52b8a8dd079fb7787 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
@@ -90,10 +90,12 @@ __inline__ __device__
 T atomic_fetch_add( volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int) , const T >::type val )
 {
-  union U {
+  // to work around a bug in the clang cuda compiler, the name here needs to be
+  // different from the one internal to the other overloads
+  union U1 {
     int i ;
     T t ;
-    KOKKOS_INLINE_FUNCTION U() {};
+    KOKKOS_INLINE_FUNCTION U1() {};
   } assume , oldval , newval ;
 
   oldval.t = *dest ;
@@ -113,10 +115,12 @@ T atomic_fetch_add( volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
                                     sizeof(T) == sizeof(unsigned long long int) , const T >::type val )
 {
-  union U {
+  // to work around a bug in the clang cuda compiler, the name here needs to be
+  // different from the one internal to the other overloads
+  union U2 {
     unsigned long long int i ;
     T t ;
-    KOKKOS_INLINE_FUNCTION U() {};
+    KOKKOS_INLINE_FUNCTION U2() {};
   } assume , oldval , newval ;
 
   oldval.t = *dest ;
@@ -176,7 +180,7 @@ T atomic_fetch_add( volatile T * const dest ,
 #if !defined(__CUDA_ARCH__) || defined(KOKKOS_IMPL_CUDA_CLANG_WORKAROUND)
 #if defined(KOKKOS_ENABLE_GNU_ATOMICS) || defined(KOKKOS_ENABLE_INTEL_ATOMICS)
 
-#if defined( KOKKOS_ENABLE_ASM ) && defined ( KOKKOS_ENABLE_ISA_X86_64 )
+#if defined( KOKKOS_ENABLE_ASM ) && (defined(KOKKOS_ENABLE_ISA_X86_64) || defined(KOKKOS_KNL_USE_ASM_WORKAROUND))
 inline
 int atomic_fetch_add( volatile int * dest , const int val )
 {
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
index 48dc8731ef8a6551dbcb0ce19cc0620320d0096b..7a4f95cd9960e5643382e34c95d2d4529aeaf0ef 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
@@ -89,7 +89,11 @@ __inline__ __device__
 T atomic_fetch_sub( volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int) , const T >::type val )
 {
-  union { int i ; T t ; } oldval , assume , newval ;
+  union U {
+    int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
@@ -108,7 +112,11 @@ T atomic_fetch_sub( volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
                                     sizeof(T) == sizeof(unsigned long long int) , const T >::type val )
 {
-  union { unsigned long long int i ; T t ; } oldval , assume , newval ;
+  union U {
+    unsigned long long int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
@@ -211,7 +219,11 @@ inline
 T atomic_fetch_sub( volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int) , const T >::type val )
 {
-  union { int i ; T t ; } assume , oldval , newval ;
+  union U {
+    int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
 #if defined( KOKKOS_ENABLE_RFO_PREFETCH )
   _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
@@ -238,7 +250,11 @@ T atomic_fetch_sub( volatile T * const dest ,
   _mm_prefetch( (const char*) dest, _MM_HINT_ET0 );
 #endif
 
-  union { long i ; T t ; } assume , oldval , newval ;
+  union U {
+     long i ;
+     T t ;
+     KOKKOS_INLINE_FUNCTION U() {}
+   } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
index a3a18166af4b2b00f6ea94aad2b6fe8a0b869da7..c1a7d803642515f321f9cd18f1f61cdee4d88585 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
@@ -156,13 +156,17 @@ T atomic_fetch_oper( const Oper& op, volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
                                     sizeof(T) == sizeof(unsigned long long int) , const T >::type val )
 {
-  union { unsigned long long int i ; T t ; } oldval , assume , newval ;
+  union U {
+    unsigned long long int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
   do {
     assume.i = oldval.i ;
-    newval.t = Oper::apply(assume.t, val) ;
+    newval.t = op.apply(assume.t, val) ;
     oldval.i = Kokkos::atomic_compare_exchange( (unsigned long long int*)dest , assume.i , newval.i );
   } while ( assume.i != oldval.i );
 
@@ -175,7 +179,11 @@ T atomic_oper_fetch( const Oper& op, volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) != sizeof(int) &&
                                     sizeof(T) == sizeof(unsigned long long int) , const T >::type val )
 {
-  union { unsigned long long int i ; T t ; } oldval , assume , newval ;
+  union U {
+    unsigned long long int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
@@ -193,13 +201,17 @@ KOKKOS_INLINE_FUNCTION
 T atomic_fetch_oper( const Oper& op, volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int) , const T >::type val )
 {
-  union { int i ; T t ; } oldval , assume , newval ;
+  union U {
+    int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
   do {
     assume.i = oldval.i ;
-    newval.t = Oper::apply(assume.t, val) ;
+    newval.t = op.apply(assume.t, val) ;
     oldval.i = Kokkos::atomic_compare_exchange( (int*)dest , assume.i , newval.i );
   } while ( assume.i != oldval.i );
 
@@ -211,7 +223,11 @@ KOKKOS_INLINE_FUNCTION
 T atomic_oper_fetch( const Oper& op, volatile T * const dest ,
   typename Kokkos::Impl::enable_if< sizeof(T) == sizeof(int), const T >::type val )
 {
-  union { int i ; T t ; } oldval , assume , newval ;
+  union U {
+    int i ;
+    T t ;
+    KOKKOS_INLINE_FUNCTION U() {}
+  } oldval , assume , newval ;
 
   oldval.t = *dest ;
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Load.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Load.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..2db74b9f1e90519f5000fd947ce254913dd84f89
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Load.hpp
@@ -0,0 +1,266 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_KOKKOS_ATOMIC_LOAD_HPP
+#define KOKKOS_IMPL_KOKKOS_ATOMIC_LOAD_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined(KOKKOS_ATOMIC_HPP)
+
+#include <impl/Kokkos_Atomic_Memory_Order.hpp>
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp>
+#endif
+
+namespace Kokkos {
+namespace Impl {
+
+// Olivier's implementation helpfully binds to the same builtins as GNU, so
+// we make this code common across multiple options
+#if (defined(KOKKOS_ENABLE_GNU_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || (defined(KOKKOS_ENABLE_INTEL_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+
+#if defined(__CUDA_ARCH__) && defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH __inline__ __device__
+#else
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH inline
+#endif
+
+template <class T, class MemoryOrder>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+T _atomic_load(
+  T* ptr, MemoryOrder,
+  typename std::enable_if<
+    (
+      sizeof(T) == 1
+        || sizeof(T) == 2
+        || sizeof(T) == 4
+        || sizeof(T) == 8
+    )
+    && std::is_same<
+      typename MemoryOrder::memory_order,
+      typename std::remove_cv<MemoryOrder>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  return __atomic_load_n(ptr, MemoryOrder::gnu_constant);
+}
+
+template <class T, class MemoryOrder>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+T _atomic_load(
+  T* ptr, MemoryOrder,
+  typename std::enable_if<
+    !(
+      sizeof(T) == 1
+        || sizeof(T) == 2
+        || sizeof(T) == 4
+        || sizeof(T) == 8
+    )
+    && std::is_default_constructible<T>::value
+    && std::is_same<
+      typename MemoryOrder::memory_order,
+      typename std::remove_cv<MemoryOrder>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  T rv{};
+  __atomic_load(ptr, &rv, MemoryOrder::gnu_constant);
+  return rv;
+}
+
+#undef KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+
+#elif defined(__CUDA_ARCH__)
+
+// Not compiling for Volta or later, or Cuda ASM atomics were manually disabled
+
+template <class T>
+__device__ __inline__
+T _relaxed_atomic_load_impl(
+  T* ptr,
+  typename std::enable_if<
+    (
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    ),
+    void const**
+  >::type = nullptr
+) {
+  return *ptr;
+}
+
+template <class T>
+struct NoOpOper {
+  __device__ __inline__
+  static constexpr T apply(T const&, T const&) noexcept { }
+};
+
+template <class T>
+__device__ __inline__
+T _relaxed_atomic_load_impl(
+  T* ptr,
+  typename std::enable_if<
+    !(
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    ),
+    void const**
+  >::type = nullptr
+) {
+  T rv{};
+  // TODO remove a copy operation here?
+  Kokkos::atomic_oper_fetch(NoOpOper<T>{}, &rv, rv);
+  return rv;
+}
+
+template <class T>
+__device__ __inline__
+T _atomic_load(T* ptr, memory_order_seq_cst_t) {
+  Kokkos::memory_fence();
+  T rv = Impl::_relaxed_atomic_load_impl(ptr);
+  Kokkos::memory_fence();
+  return rv;
+}
+
+template <class T>
+__device__ __inline__
+T _atomic_load(T* ptr, memory_order_acquire_t) {
+  T rv = Impl::_relaxed_atomic_load_impl(ptr);
+  Kokkos::memory_fence();
+  return rv;
+}
+
+template <class T>
+__device__ __inline__
+T _atomic_load(T* ptr, memory_order_relaxed_t) {
+  return _relaxed_atomic_load_impl(ptr);
+}
+
+#elif defined(KOKKOS_ENABLE_OPENMP_ATOMICS)
+
+template <class T, class MemoryOrder>
+inline
+T _atomic_load(T* ptr, MemoryOrder)
+{
+  // AFAICT, all OpenMP atomics are sequentially consistent, so memory order doesn't matter
+  T retval{ };
+#pragma omp atomic read
+  {
+    retval = *ptr;
+  }
+  return retval;
+}
+
+#elif defined(KOKKOS_ENABLE_SERIAL_ATOMICS)
+
+template <class T, class MemoryOrder>
+inline
+T _atomic_load(T* ptr, MemoryOrder)
+{
+  return *ptr;
+}
+
+#endif // end of all atomic implementations
+
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr, Impl::memory_order_seq_cst_t) {
+  return _atomic_load(ptr, Impl::memory_order_seq_cst);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr, Impl::memory_order_acquire_t) {
+  return _atomic_load(ptr, Impl::memory_order_acquire);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr, Impl::memory_order_relaxed_t) {
+  return _atomic_load(ptr, Impl::memory_order_relaxed);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr, Impl::memory_order_release_t) {
+  static_assert(
+    sizeof(T) == 0, // just something that will always be false, but only on instantiation
+    "atomic_load with memory order release doesn't make any sense!"
+  );
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr, Impl::memory_order_acq_rel_t) {
+  static_assert(
+    sizeof(T) == 0, // just something that will always be false, but only on instantiation
+    "atomic_load with memory order acq_rel doesn't make any sense!"
+  );
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+T atomic_load(T* ptr) {
+  // relaxed by default!
+  return _atomic_load(ptr, Impl::memory_order_relaxed);
+}
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp>
+#endif
+
+#endif // defined(KOKKOS_ATOMIC_HPP)
+#endif //KOKKOS_IMPL_KOKKOS_ATOMIC_LOAD_HPP
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Memory_Order.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Memory_Order.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..7b9c08551c0fcc460ebfb046ef25ff394b2d406f
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Memory_Order.hpp
@@ -0,0 +1,122 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_KOKKOS_ATOMIC_MEMORY_ORDER_HPP
+#define KOKKOS_KOKKOS_ATOMIC_MEMORY_ORDER_HPP
+
+#include <Kokkos_Macros.hpp>
+
+#include <atomic>
+
+namespace Kokkos {
+namespace Impl {
+
+/** @file
+ * Provides strongly-typed analogs of the standard memory order enumerators.
+ * In addition to (very slightly) reducing the constant propagation burden on
+ * the compiler, this allows us to give compile-time errors for things that
+ * don't make sense, like atomic_load with memory order release.
+ */
+
+struct memory_order_seq_cst_t {
+  using memory_order = memory_order_seq_cst_t;
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) \
+    || defined(KOKKOS_ENABLE_INTEL_ATOMICS) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  static constexpr auto gnu_constant = __ATOMIC_SEQ_CST;
+#endif
+  static constexpr auto std_constant = std::memory_order_seq_cst;
+};
+constexpr memory_order_seq_cst_t memory_order_seq_cst = { };
+
+struct memory_order_relaxed_t {
+  using memory_order = memory_order_relaxed_t;
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) \
+    || defined(KOKKOS_ENABLE_INTEL_ATOMICS) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  static constexpr auto gnu_constant = __ATOMIC_RELAXED;
+#endif
+  static constexpr auto std_constant = std::memory_order_relaxed;
+};
+constexpr memory_order_relaxed_t memory_order_relaxed = { };
+
+struct memory_order_acquire_t {
+  using memory_order = memory_order_acquire_t;
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) \
+    || defined(KOKKOS_ENABLE_INTEL_ATOMICS) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  static constexpr auto gnu_constant = __ATOMIC_ACQUIRE;
+#endif
+  static constexpr auto std_constant = std::memory_order_acquire;
+};
+constexpr memory_order_acquire_t memory_order_acquire = { };
+
+struct memory_order_release_t {
+  using memory_order = memory_order_release_t;
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) \
+    || defined(KOKKOS_ENABLE_INTEL_ATOMICS) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  static constexpr auto gnu_constant = __ATOMIC_RELEASE;
+#endif
+  static constexpr auto std_constant = std::memory_order_release;
+};
+constexpr memory_order_release_t memory_order_release = { };
+
+struct memory_order_acq_rel_t {
+  using memory_order = memory_order_acq_rel_t;
+#if defined(KOKKOS_ENABLE_GNU_ATOMICS) \
+    || defined(KOKKOS_ENABLE_INTEL_ATOMICS) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  static constexpr auto gnu_constant = __ATOMIC_ACQ_REL;
+#endif
+  static constexpr auto std_constant = std::memory_order_acq_rel;
+};
+constexpr memory_order_acq_rel_t memory_order_acq_rel = { };
+
+
+// Intentionally omit consume (for now)
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+#endif //KOKKOS_KOKKOS_ATOMIC_MEMORY_ORDER_HPP
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Store.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Store.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..066f90480d594b008eb177d9df676367c9a76b3e
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Store.hpp
@@ -0,0 +1,258 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_KOKKOS_ATOMIC_STORE_HPP
+#define KOKKOS_IMPL_KOKKOS_ATOMIC_STORE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined(KOKKOS_ATOMIC_HPP)
+
+#include <impl/Kokkos_Atomic_Memory_Order.hpp>
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics.hpp>
+#endif
+
+namespace Kokkos {
+namespace Impl {
+
+// Olivier's implementation helpfully binds to the same builtins as GNU, so
+// we make this code common across multiple options
+#if (defined(KOKKOS_ENABLE_GNU_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || (defined(KOKKOS_ENABLE_INTEL_ATOMICS) && !defined(__CUDA_ARCH__)) \
+    || defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+
+#if defined(__CUDA_ARCH__) && defined(KOKKOS_ENABLE_CUDA_ASM_ATOMICS)
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH __inline__ __device__
+#else
+  #define KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH inline
+#endif
+
+template <class T, class MemoryOrder>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+void _atomic_store(
+  T* ptr, T val, MemoryOrder,
+  typename std::enable_if<
+    (
+      sizeof(T) == 1
+        || sizeof(T) == 2
+        || sizeof(T) == 4
+        || sizeof(T) == 8
+    )
+    && std::is_same<
+      typename MemoryOrder::memory_order,
+      typename std::remove_cv<MemoryOrder>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  __atomic_store_n(ptr, val, MemoryOrder::gnu_constant);
+}
+
+template <class T, class MemoryOrder>
+KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+void _atomic_store(
+  T* ptr, T val, MemoryOrder,
+  typename std::enable_if<
+    !(
+      sizeof(T) == 1
+        || sizeof(T) == 2
+        || sizeof(T) == 4
+        || sizeof(T) == 8
+    )
+    && std::is_default_constructible<T>::value
+    && std::is_same<
+      typename MemoryOrder::memory_order,
+      typename std::remove_cv<MemoryOrder>::type
+    >::value,
+    void const**
+  >::type = nullptr
+) {
+  __atomic_store(ptr, &val, MemoryOrder::gnu_constant);
+}
+
+#undef KOKKOS_INTERNAL_INLINE_DEVICE_IF_CUDA_ARCH
+
+#elif defined(__CUDA_ARCH__)
+
+// Not compiling for Volta or later, or Cuda ASM atomics were manually disabled
+
+template <class T>
+__device__ __inline__
+void _relaxed_atomic_store_impl(
+  T* ptr, T val,
+  typename std::enable_if<
+    (
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    ),
+    void const**
+  >::type = nullptr
+) {
+  *ptr = val;
+}
+
+template <class T>
+struct StoreOper {
+  __device__ __inline__
+  static constexpr T apply(T const&, T const& val) noexcept { return val; }
+};
+
+template <class T>
+__device__ __inline__
+void _relaxed_atomic_store_impl(
+  T* ptr, T val,
+  typename std::enable_if<
+    !(
+      sizeof(T) == 1
+      || sizeof(T) == 2
+      || sizeof(T) == 4
+      || sizeof(T) == 8
+    ),
+    void const**
+  >::type = nullptr
+) {
+  Kokkos::atomic_oper_fetch(StoreOper<T>{}, &rv, (T&&)val);
+}
+
+template <class T>
+__device__ __inline__
+void _atomic_store(T* ptr, T val, memory_order_seq_cst_t) {
+  Kokkos::memory_fence();
+  Impl::_relaxed_atomic_store_impl(ptr, val);
+  Kokkos::memory_fence();
+  return rv;
+}
+
+template <class T>
+__device__ __inline__
+void _atomic_store(T* ptr, T val, memory_order_release_t) {
+  Kokkos::memory_fence();
+  _relaxed_atomic_store_impl(ptr, val);
+}
+
+template <class T>
+__device__ __inline__
+void _atomic_store(T* ptr, T val, memory_order_relaxed_t) {
+  _relaxed_atomic_store_impl(ptr, val);
+}
+
+#elif defined(KOKKOS_ENABLE_OPENMP_ATOMICS)
+
+template <class T, class MemoryOrder>
+inline
+void _atomic_store(T* ptr, T val, MemoryOrder)
+{
+  // AFAICT, all OpenMP atomics are sequentially consistent, so memory order doesn't matter
+#pragma omp atomic write
+  {
+    *ptr = val;
+  }
+}
+
+#elif defined(KOKKOS_ENABLE_SERIAL_ATOMICS)
+
+template <class T, class MemoryOrder>
+inline
+void _atomic_store(T* ptr, T val, MemoryOrder)
+{
+  *ptr = val;
+}
+
+#endif // end of all atomic implementations
+
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val, Impl::memory_order_seq_cst_t) {
+  _atomic_store(ptr, val, Impl::memory_order_seq_cst);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val, Impl::memory_order_release_t) {
+  _atomic_store(ptr, val, Impl::memory_order_release);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val, Impl::memory_order_relaxed_t) {
+  _atomic_store(ptr, val, Impl::memory_order_relaxed);
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val, Impl::memory_order_acquire_t) {
+  static_assert(
+    sizeof(T) == 0, // just something that will always be false, but only on instantiation
+    "atomic_store with memory order acquire doesn't make any sense!"
+  );
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val, Impl::memory_order_acq_rel_t) {
+  static_assert(
+    sizeof(T) == 0, // just something that will always be false, but only on instantiation
+    "atomic_store with memory order acq_rel doesn't make any sense!"
+  );
+}
+
+template <class T>
+KOKKOS_FORCEINLINE_FUNCTION
+void atomic_store(T* ptr, T val) {
+  // relaxed by default!
+  _atomic_store(ptr, Impl::memory_order_relaxed);
+}
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+#if defined(KOKKOS_ENABLE_CUDA)
+#include <Cuda/Kokkos_Cuda_Atomic_Intrinsics_Restore_Builtins.hpp>
+#endif
+
+#endif // defined(KOKKOS_ATOMIC_HPP)
+#endif //KOKKOS_IMPL_KOKKOS_ATOMIC_STORE_HPP
diff --git a/lib/kokkos/core/src/impl/Kokkos_ChaseLev.hpp b/lib/kokkos/core/src/impl/Kokkos_ChaseLev.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..f86e68cb1d52c386c6a7ef1c937a13e9adfbea8c
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_ChaseLev.hpp
@@ -0,0 +1,314 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_LOCKFREEDEQUE_HPP
+#define KOKKOS_IMPL_LOCKFREEDEQUE_HPP
+
+#include <Kokkos_Macros.hpp>
+#ifdef KOKKOS_ENABLE_TASKDAG // Note: implies CUDA_VERSION >= 8000 if using CUDA
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_Error.hpp> // KOKKOS_EXPECTS
+#include <impl/Kokkos_LinkedListNode.hpp> // KOKKOS_EXPECTS
+
+#include <Kokkos_Atomic.hpp>  // atomic_compare_exchange, atomic_fence
+#include "Kokkos_LIFO.hpp"
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <class NodeType, size_t CircularBufferSize, class SizeType = size_t>
+struct fixed_size_circular_buffer {
+public:
+
+  using node_type = NodeType;
+  using size_type = SizeType;
+
+private:
+
+  node_type* m_buffer[CircularBufferSize] = { nullptr };
+
+public:
+
+  fixed_size_circular_buffer() = default;
+  fixed_size_circular_buffer(fixed_size_circular_buffer const&) = delete;
+  fixed_size_circular_buffer(fixed_size_circular_buffer&&) = default;
+  fixed_size_circular_buffer& operator=(fixed_size_circular_buffer const&) = delete;
+  fixed_size_circular_buffer& operator=(fixed_size_circular_buffer&&) = default;
+  ~fixed_size_circular_buffer() = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  static constexpr size_type size() noexcept {
+    return size_type(CircularBufferSize);
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  node_type* operator[](size_type idx) const noexcept {
+    return m_buffer[idx % size()];
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  node_type*& operator[](size_type idx) noexcept {
+    return m_buffer[idx % size()];
+  }
+};
+
+template <class NodeType, class SizeType = size_t>
+struct non_owning_variable_size_circular_buffer {
+public:
+
+  using node_type = NodeType;
+  using size_type = SizeType;
+
+private:
+
+  ObservingRawPtr<node_type*> m_buffer = nullptr;
+  size_type m_size = 0;
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  non_owning_variable_size_circular_buffer(
+    ObservingRawPtr<node_type*> buffer,
+    size_type arg_size
+  ) noexcept
+    : m_buffer(buffer),
+      m_size(arg_size)
+  { }
+
+  non_owning_variable_size_circular_buffer() = default;
+  non_owning_variable_size_circular_buffer(non_owning_variable_size_circular_buffer const&) = delete;
+  non_owning_variable_size_circular_buffer(non_owning_variable_size_circular_buffer&&) = default;
+  non_owning_variable_size_circular_buffer& operator=(non_owning_variable_size_circular_buffer const&) = delete;
+  non_owning_variable_size_circular_buffer& operator=(non_owning_variable_size_circular_buffer&&) = default;
+  ~non_owning_variable_size_circular_buffer() = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr size_type size() const noexcept {
+    return m_size;
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  node_type* operator[](size_type idx) const noexcept {
+    return m_buffer[idx % size()];
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  node_type*& operator[](size_type idx) noexcept {
+    return m_buffer[idx % size()];
+  }
+};
+
+/** Based on "Correct and Efficient Work-Stealing for Weak Memory Models,"
+ * PPoPP '13, https://www.di.ens.fr/~zappa/readings/ppopp13.pdf
+ *
+ */
+template <
+  class T,
+  class CircularBufferT,
+  class SizeType = int32_t
+>
+struct ChaseLevDeque {
+public:
+
+  using size_type = SizeType;
+  using value_type = T;
+  // Still using intrusive linked list for waiting queue
+  using node_type = SimpleSinglyLinkedListNode<>;
+
+private:
+
+  // TODO @tasking @new_feature DSH variable size circular buffer?
+
+  CircularBufferT m_array;
+  size_type m_top = 0;
+  size_type m_bottom = 0;
+
+
+public:
+
+  template <
+    class _ignore=void,
+    class=typename std::enable_if<
+      std::is_default_constructible<CircularBufferT>::value
+    >::type
+  >
+  ChaseLevDeque() : m_array() { }
+
+  explicit
+  ChaseLevDeque(CircularBufferT buffer)
+    : m_array(std::move(buffer))
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  bool empty() const {
+    // TODO @tasking @memory_order DSH memory order
+    return m_top > m_bottom - 1;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<T>
+  pop() {
+    auto b = m_bottom - 1; // atomic load relaxed
+    auto& a = m_array; // atomic load relaxed
+    m_bottom = b; // atomic store relaxed
+    Kokkos::memory_fence(); // memory order seq_cst
+    auto t = m_top; // atomic load relaxed
+    OptionalRef<T> return_value;
+    if(t <= b) {
+      /* non-empty queue */
+      return_value = *static_cast<T*>(a[b]); // relaxed load
+      if(t == b) {
+        /* single last element in the queue. */
+        if(not Impl::atomic_compare_exchange_strong(&m_top, t, t+1, memory_order_seq_cst, memory_order_relaxed)) {
+          /* failed race, someone else stole it */
+          return_value = nullptr;
+        }
+        m_bottom = b + 1; // memory order relaxed
+      }
+    } else {
+      /* empty queue */
+      m_bottom = b + 1; // memory order relaxed
+    }
+    return return_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool push(node_type&& node)
+  {
+    // Just forward to the lvalue version
+    return push(node);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool push(node_type& node)
+  {
+    auto b = m_bottom; // memory order relaxed
+    auto t = Impl::atomic_load(&m_top, memory_order_acquire);
+    auto& a = m_array;
+    if(b - t > a.size() - 1) {
+      /* queue is full, resize */
+      //m_array = a->grow();
+      //a = m_array;
+      return false;
+    }
+    a[b] = &node; // relaxed
+    Impl::atomic_store(&m_bottom, b + 1, memory_order_release);
+    return true;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<T>
+  steal() {
+    auto t = m_top; // TODO @tasking @memory_order DSH: atomic load acquire
+    Kokkos::memory_fence(); // seq_cst fence, so why does the above need to be acquire?
+    auto b = Impl::atomic_load(&m_bottom, memory_order_acquire);
+    OptionalRef<T> return_value;
+    if(t < b) {
+      /* Non-empty queue */
+      auto& a = m_array; // TODO @tasking @memory_order DSH: technically consume ordered, but acquire should be fine
+      Kokkos::load_fence(); // TODO @tasking @memory_order DSH memory order instead of fence
+      return_value = *static_cast<T*>(a[t]); // relaxed
+      if(not Impl::atomic_compare_exchange_strong(&m_top, t, t+1, memory_order_seq_cst, memory_order_relaxed)) {
+        return_value = nullptr;
+      }
+    }
+    return return_value;
+  }
+
+};
+
+/*
+      // The atomicity of this load was more important in the paper's version
+      // because that version had a circular buffer that could grow.  We're
+      // essentially using the memory order in this version as a fence, which
+      // may be unnecessary
+      auto buffer_ptr = (node_type***)&m_array.buffer;
+      auto a = Impl::atomic_load(buffer_ptr, memory_order_acquire); // technically consume ordered, but acquire should be fine
+      return_value = *static_cast<T*>(a[t % m_array->size]); // relaxed; we'd have to replace the m_array->size if we ever allow growth
+*/
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <size_t CircularBufferSize>
+struct TaskQueueTraitsChaseLev {
+
+  template <class Task>
+  using ready_queue_type = ChaseLevDeque<
+    Task,
+    fixed_size_circular_buffer<SimpleSinglyLinkedListNode<>, CircularBufferSize, int32_t>,
+    int32_t
+  >;
+
+  template <class Task>
+  using waiting_queue_type = SingleConsumeOperationLIFO<Task>;
+
+  template <class Task>
+  using intrusive_task_base_type =
+    typename ready_queue_type<Task>::node_type;
+
+  static constexpr auto ready_queue_insertion_may_fail = true;
+
+};
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* defined KOKKOS_ENABLE_TASKDAG */
+#endif /* #ifndef KOKKOS_IMPL_LOCKFREEDEQUE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_Core.cpp b/lib/kokkos/core/src/impl/Kokkos_Core.cpp
index 82fdee4399384c1e55df44753872d90c64d6649c..0d472e98bb7d4dc8c7039e7ffc257c3d11cc397c 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Core.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Core.cpp
@@ -85,7 +85,8 @@ setenv("MEMKIND_HBW_NODES", "1", 0);
   }
 
   // Protect declarations, to prevent "unused variable" warnings.
-#if defined( KOKKOS_ENABLE_OPENMP ) || defined( KOKKOS_ENABLE_THREADS ) || defined( KOKKOS_ENABLE_OPENMPTARGET )
+#if defined( KOKKOS_ENABLE_OPENMP ) || defined( KOKKOS_ENABLE_THREADS ) ||\
+    defined( KOKKOS_ENABLE_OPENMPTARGET ) || defined ( KOKKOS_ENABLE_HPX )
   const int num_threads = args.num_threads;
 #endif
 #if defined( KOKKOS_ENABLE_THREADS ) || defined( KOKKOS_ENABLE_OPENMPTARGET )
@@ -160,6 +161,21 @@ setenv("MEMKIND_HBW_NODES", "1", 0);
   }
 #endif
 
+#if defined( KOKKOS_ENABLE_HPX )
+  if( std::is_same< Kokkos::Experimental::HPX , Kokkos::DefaultExecutionSpace >::value ||
+      std::is_same< Kokkos::Experimental::HPX , Kokkos::HostSpace::execution_space >::value ) {
+      if(num_threads>0) {
+        Kokkos::Experimental::HPX::impl_initialize(num_threads);
+      } else {
+        Kokkos::Experimental::HPX::impl_initialize();
+      }
+      //std::cout << "Kokkos::initialize() fyi: HPX enabled and initialized" << std::endl ;
+  }
+  else {
+      //std::cout << "Kokkos::initialize() fyi: HPX enabled but not initialized" << std::endl ;
+  }
+#endif
+
 #if defined( KOKKOS_ENABLE_SERIAL )
   // Prevent "unused variable" warning for 'args' input struct.  If
   // Serial::initialize() ever needs to take arguments from the input
@@ -268,6 +284,8 @@ void finalize_internal( const bool all_spaces = false )
       Kokkos::Cuda::impl_finalize();
 #endif
   }
+#else
+  (void)all_spaces;
 #endif
 
 #if defined( KOKKOS_ENABLE_ROCM )
@@ -298,6 +316,15 @@ void finalize_internal( const bool all_spaces = false )
   }
 #endif
 
+#if defined( KOKKOS_ENABLE_HPX )
+  if( std::is_same< Kokkos::Experimental::HPX , Kokkos::DefaultExecutionSpace >::value ||
+      std::is_same< Kokkos::Experimental::HPX , Kokkos::HostSpace::execution_space >::value ||
+      all_spaces ) {
+    if(Kokkos::Experimental::HPX::impl_is_initialized())
+      Kokkos::Experimental::HPX::impl_finalize();
+  }
+#endif
+
 #if defined( KOKKOS_ENABLE_THREADS )
   if( std::is_same< Kokkos::Threads , Kokkos::DefaultExecutionSpace >::value ||
       std::is_same< Kokkos::Threads , Kokkos::HostSpace::execution_space >::value ||
@@ -331,34 +358,38 @@ void fence_internal()
 
 #if defined( KOKKOS_ENABLE_CUDA )
   if( std::is_same< Kokkos::Cuda , Kokkos::DefaultExecutionSpace >::value ) {
-    Kokkos::Cuda::fence();
+    Kokkos::Cuda::impl_static_fence();
   }
 #endif
 
 #if defined( KOKKOS_ENABLE_ROCM )
   if( std::is_same< Kokkos::Experimental::ROCm , Kokkos::DefaultExecutionSpace >::value ) {
-    Kokkos::Experimental::ROCm::fence();
+    Kokkos::Experimental::ROCm().fence();
   }
 #endif
 
 #if defined( KOKKOS_ENABLE_OPENMP )
   if( std::is_same< Kokkos::OpenMP , Kokkos::DefaultExecutionSpace >::value ||
       std::is_same< Kokkos::OpenMP , Kokkos::HostSpace::execution_space >::value ) {
-    Kokkos::OpenMP::fence();
+    Kokkos::OpenMP::impl_static_fence();
   }
 #endif
 
+#if defined( KOKKOS_ENABLE_HPX )
+  Kokkos::Experimental::HPX::impl_static_fence();
+#endif
+
 #if defined( KOKKOS_ENABLE_THREADS )
   if( std::is_same< Kokkos::Threads , Kokkos::DefaultExecutionSpace >::value ||
       std::is_same< Kokkos::Threads , Kokkos::HostSpace::execution_space >::value ) {
-    Kokkos::Threads::fence();
+    Kokkos::Threads::impl_static_fence();
   }
 #endif
 
 #if defined( KOKKOS_ENABLE_SERIAL )
   if( std::is_same< Kokkos::Serial , Kokkos::DefaultExecutionSpace >::value ||
       std::is_same< Kokkos::Serial , Kokkos::HostSpace::execution_space >::value ) {
-    Kokkos::Serial::fence();
+    Kokkos::Serial::impl_static_fence();
   }
 #endif
 
@@ -708,6 +739,12 @@ void print_configuration( std::ostream & out , const bool detail )
   msg << "yes" << std::endl;
 #else
   msg << "no" << std::endl;
+#endif
+  msg << "  KOKKOS_ENABLE_HPX: ";
+#ifdef KOKKOS_ENABLE_HPX
+  msg << "yes" << std::endl;
+#else
+  msg << "no" << std::endl;
 #endif
   msg << "  KOKKOS_ENABLE_THREADS: ";
 #ifdef KOKKOS_ENABLE_THREADS
@@ -957,6 +994,9 @@ void print_configuration( std::ostream & out , const bool detail )
 #ifdef KOKKOS_ENABLE_OPENMP
   OpenMP::print_configuration(msg, detail);
 #endif
+#ifdef KOKKOS_ENABLE_HPX
+  Experimental::HPX::print_configuration(msg, detail);
+#endif
 #if defined( KOKKOS_ENABLE_THREADS )
   Threads::print_configuration(msg, detail);
 #endif
diff --git a/lib/kokkos/core/src/impl/Kokkos_EBO.hpp b/lib/kokkos/core/src/impl/Kokkos_EBO.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..69bb74e2c5fcabb3d8c7c4975980c705bad2b6fb
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_EBO.hpp
@@ -0,0 +1,343 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_EBO_HPP
+#define KOKKOS_EBO_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+
+#include <Kokkos_Core_fwd.hpp>
+//----------------------------------------------------------------------------
+
+
+#include <utility>
+#include <type_traits>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template <int I>
+struct NotOnDeviceCtorDisambiguator { };
+
+template <class... Args>
+struct NoCtorsNotOnDevice : std::false_type { };
+
+template <class... Args>
+struct DefaultCtorNotOnDevice : std::false_type { };
+
+template <>
+struct DefaultCtorNotOnDevice<> : std::true_type { };
+
+template <class T, bool Empty, template <class...> class CtorNotOnDevice = NoCtorsNotOnDevice>
+struct EBOBaseImpl;
+
+template <class T, template <class...> class CtorNotOnDevice>
+struct EBOBaseImpl<T, true, CtorNotOnDevice> {
+
+  /*
+   * Workaround for constexpr in C++11: we need to still call T(args...), but we
+   * can't do so in the body of a constexpr function (in C++11), and there's no
+   * data member to construct into. But we can construct into an argument
+   * of a delegating constructor...
+   */
+  // TODO @minor DSH the destructor gets called too early with this workaround
+  struct _constexpr_14_workaround_tag { };
+  struct _constexpr_14_workaround_no_device_tag { };
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr EBOBaseImpl(_constexpr_14_workaround_tag, T&&) noexcept { }
+  inline constexpr EBOBaseImpl(_constexpr_14_workaround_no_device_tag, T&&) noexcept { }
+
+  template <
+    class... Args,
+    class _ignored = void,
+    typename std::enable_if<
+      std::is_void<_ignored>::value
+      && std::is_constructible<T, Args...>::value
+      && !CtorNotOnDevice<Args...>::value,
+      int
+    >::type = 0
+  >
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr explicit
+  EBOBaseImpl(
+    Args&&... args
+  ) noexcept(noexcept(T(std::forward<Args>(args)...)))
+    // still call the constructor
+    : EBOBaseImpl(_constexpr_14_workaround_tag{}, T(std::forward<Args>(args)...))
+  { }
+
+  template <
+    class... Args,
+    class _ignored=void,
+    typename std::enable_if<
+      std::is_void<_ignored>::value
+      && std::is_constructible<T, Args...>::value
+      && CtorNotOnDevice<Args...>::value,
+      long
+    >::type = 0
+  >
+  inline constexpr explicit
+  EBOBaseImpl(
+    Args&&... args
+  ) noexcept(noexcept(T(std::forward<Args>(args)...)))
+    // still call the constructor
+    : EBOBaseImpl(_constexpr_14_workaround_no_device_tag{}, T(std::forward<Args>(args)...))
+  { }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr EBOBaseImpl(EBOBaseImpl const&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr EBOBaseImpl(EBOBaseImpl&&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  EBOBaseImpl& operator=(EBOBaseImpl const&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  EBOBaseImpl& operator=(EBOBaseImpl&&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  ~EBOBaseImpl() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  T& _ebo_data_member() & {
+    return *reinterpret_cast<T*>(this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr
+  T const& _ebo_data_member() const & {
+    return *reinterpret_cast<T const*>(this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T volatile& _ebo_data_member() volatile & {
+    return *reinterpret_cast<T volatile*>(this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const volatile& _ebo_data_member() const volatile & {
+    return *reinterpret_cast<T const volatile*>(this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  T&& _ebo_data_member() && {
+    return std::move(*reinterpret_cast<T*>(this));
+  }
+
+};
+
+template <class T, template <class...> class CTorsNotOnDevice>
+struct EBOBaseImpl<T, false, CTorsNotOnDevice> {
+
+  T m_ebo_object;
+
+  template <
+    class... Args,
+    class _ignored=void,
+    typename std::enable_if<
+      std::is_void<_ignored>::value
+        && !CTorsNotOnDevice<Args...>::value
+        && std::is_constructible<T, Args...>::value,
+      int
+    >::type = 0
+  >
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr explicit
+  EBOBaseImpl(
+    Args&&... args
+  ) noexcept(noexcept(T(std::forward<Args>(args)...)))
+    : m_ebo_object(std::forward<Args>(args)...)
+  { }
+
+  template <
+    class... Args,
+    class _ignored=void,
+    typename std::enable_if<
+      std::is_void<_ignored>::value
+        && CTorsNotOnDevice<Args...>::value
+        && std::is_constructible<T, Args...>::value,
+      long
+    >::type = 0
+  >
+  inline
+  constexpr explicit
+  EBOBaseImpl(
+    Args&&... args
+  ) noexcept(noexcept(T(std::forward<Args>(args)...)))
+    : m_ebo_object(std::forward<Args>(args)...)
+  { }
+
+
+  // TODO @tasking @minor DSH noexcept in the right places?
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr
+  EBOBaseImpl(EBOBaseImpl const&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr
+  EBOBaseImpl(EBOBaseImpl&&) noexcept = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  EBOBaseImpl& operator=(EBOBaseImpl const&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  EBOBaseImpl& operator=(EBOBaseImpl&&) = default;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  ~EBOBaseImpl() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  T& _ebo_data_member() & {
+    return m_ebo_object;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const& _ebo_data_member() const & {
+    return m_ebo_object;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T volatile& _ebo_data_member() volatile & {
+    return m_ebo_object;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const volatile& _ebo_data_member() const volatile & {
+    return m_ebo_object;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T&& _ebo_data_member() && {
+    return m_ebo_object;
+  }
+
+};
+
+/**
+ *
+ * @tparam T
+ */
+template <class T, template <class...> class CtorsNotOnDevice=NoCtorsNotOnDevice>
+struct StandardLayoutNoUniqueAddressMemberEmulation
+  : EBOBaseImpl<T, std::is_empty<T>::value, CtorsNotOnDevice>
+{
+private:
+
+  using ebo_base_t = EBOBaseImpl<T, std::is_empty<T>::value, CtorsNotOnDevice>;
+
+public:
+
+  using ebo_base_t::ebo_base_t;
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  T& no_unique_address_data_member() & {
+    return this->ebo_base_t::_ebo_data_member();
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  constexpr
+  T const& no_unique_address_data_member() const & {
+    return this->ebo_base_t::_ebo_data_member();
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  T volatile& no_unique_address_data_member() volatile & {
+    return this->ebo_base_t::_ebo_data_member();
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  T const volatile& no_unique_address_data_member() const volatile & {
+    return this->ebo_base_t::_ebo_data_member();
+  }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  KOKKOS_CONSTEXPR_14
+  T&& no_unique_address_data_member() && {
+    return this->ebo_base_t::_ebo_data_member();
+  }
+};
+
+/**
+ *
+ * @tparam T
+ */
+template <class T, template <class...> class CtorsNotOnDevice=NoCtorsNotOnDevice>
+class NoUniqueAddressMemberEmulation
+  : private StandardLayoutNoUniqueAddressMemberEmulation<T, CtorsNotOnDevice>
+{
+private:
+
+  using base_t = StandardLayoutNoUniqueAddressMemberEmulation<T, CtorsNotOnDevice>;
+
+public:
+
+  using base_t::base_t;
+  using base_t::no_unique_address_data_member;
+
+};
+
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+#endif /* #ifndef KOKKOS_EBO_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_Error.hpp b/lib/kokkos/core/src/impl/Kokkos_Error.hpp
index e7d5f9344c334bbb590ab1e3453cdf7bc4fdf9f2..3d634fe5d14e7a0ebe7de0e5cc39dddb90d2df72 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Error.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Error.hpp
@@ -51,6 +51,10 @@
 #include <Cuda/Kokkos_Cuda_abort.hpp>
 #endif
 
+#ifndef KOKKOS_ABORT_MESSAGE_BUFFER_SIZE
+#  define KOKKOS_ABORT_MESSAGE_BUFFER_SIZE 2048
+#endif // ifndef KOKKOS_ABORT_MESSAGE_BUFFER_SIZE
+
 namespace Kokkos {
 namespace Impl {
 
@@ -83,6 +87,50 @@ void abort( const char * const message ) {
 
 }
 
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+#if !defined(NDEBUG) || defined(KOKKOS_ENFORCE_CONTRACTS) || defined(KOKKOS_DEBUG)
+#  define KOKKOS_EXPECTS(...) \
+  { \
+    if(!bool(__VA_ARGS__)) { \
+      ::Kokkos::abort( \
+        "Kokkos contract violation:\n  " \
+        "  Expected precondition `" #__VA_ARGS__ "` evaluated false." \
+      ); \
+    } \
+  }
+#  define KOKKOS_ENSURES(...) \
+  { \
+    if(!bool(__VA_ARGS__)) { \
+      ::Kokkos::abort( \
+        "Kokkos contract violation:\n  " \
+        "  Ensured postcondition `" #__VA_ARGS__ "` evaluated false." \
+      ); \
+    } \
+  }
+// some projects already define this for themselves, so don't mess them up
+#  ifndef KOKKOS_ASSERT
+#    define KOKKOS_ASSERT(...) \
+  { \
+    if(!bool(__VA_ARGS__)) { \
+      ::Kokkos::abort( \
+        "Kokkos contract violation:\n  " \
+        "  Asserted condition `" #__VA_ARGS__ "` evaluated false." \
+      ); \
+    } \
+  }
+#  endif // ifndef KOKKOS_ASSERT
+#else // not debug mode
+#  define KOKKOS_EXPECTS(...)
+#  define KOKKOS_ENSURES(...)
+#  ifndef KOKKOS_ASSERT
+#    define KOKKOS_ASSERT(...)
+#  endif // ifndef KOKKOS_ASSERT
+#endif // end debug mode ifdefs
+
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_FixedBufferMemoryPool.hpp b/lib/kokkos/core/src/impl/Kokkos_FixedBufferMemoryPool.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..3053d8d9d0d9341a1babde3379270ea063891b55
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_FixedBufferMemoryPool.hpp
@@ -0,0 +1,307 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2019) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_KOKKOS_FIXEDBUFFERMEMORYPOOL_HPP
+#define KOKKOS_IMPL_KOKKOS_FIXEDBUFFERMEMORYPOOL_HPP
+
+#include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_Atomic.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+#include <impl/Kokkos_SimpleTaskScheduler.hpp>
+
+namespace Kokkos {
+namespace Impl {
+
+template <
+  class DeviceType,
+  size_t Size,
+  size_t Align=1,
+  class SizeType = typename DeviceType::execution_space::size_type
+>
+class FixedBlockSizeMemoryPool
+  : private MemorySpaceInstanceStorage<typename DeviceType::memory_space>
+{
+public:
+
+  using memory_space = typename DeviceType::memory_space;
+  using size_type = SizeType;
+
+private:
+
+  using memory_space_storage_base = MemorySpaceInstanceStorage<typename DeviceType::memory_space>;
+  using tracker_type = Kokkos::Impl::SharedAllocationTracker;
+  using record_type = Kokkos::Impl::SharedAllocationRecord<memory_space>;
+
+  struct alignas(Align) Block { union { char ignore; char data[Size]; }; };
+
+  static constexpr auto actual_size = sizeof(Block);
+
+  // TODO shared allocation tracker
+  // TODO @optimization put the index values on different cache lines (CPU) or pages (GPU)?
+
+  tracker_type m_tracker = { };
+  size_type m_num_blocks = 0;
+  size_type m_first_free_idx = 0;
+  size_type m_last_free_idx = 0;
+  Kokkos::OwningRawPtr<Block> m_first_block = nullptr;
+  Kokkos::OwningRawPtr<size_type> m_free_indices = nullptr;
+
+  enum : size_type { IndexInUse = ~size_type(0) };
+
+public:
+
+  FixedBlockSizeMemoryPool(
+    memory_space const& mem_space,
+    size_type num_blocks
+  ) : memory_space_storage_base(mem_space),
+      m_tracker(),
+      m_num_blocks(num_blocks),
+      m_first_free_idx(0),
+      m_last_free_idx(num_blocks)
+  {
+    // TODO alignment?
+    auto block_record = record_type::allocate(
+      mem_space, "FixedBlockSizeMemPool_blocks", num_blocks * sizeof(Block)
+    );
+    KOKKOS_ASSERT(intptr_t(block_record->data()) % Align == 0);
+    m_tracker.assign_allocated_record_to_uninitialized(block_record);
+    m_first_block = (Block*)block_record->data();
+
+    auto idx_record = record_type::allocate(
+      mem_space, "FixedBlockSizeMemPool_blocks", num_blocks * sizeof(size_type)
+    );
+    KOKKOS_ASSERT(intptr_t(idx_record->data()) % alignof(size_type) == 0);
+    m_tracker.assign_allocated_record_to_uninitialized(idx_record);
+    m_free_indices = (size_type*)idx_record->data();
+
+    for(size_type i = 0; i < num_blocks; ++i) {
+      m_free_indices[i] = i;
+    }
+
+    Kokkos::memory_fence();
+  }
+
+  // For compatibility with MemoryPool<>
+  FixedBlockSizeMemoryPool(
+    memory_space const& mem_space,
+    size_t mempool_capacity,
+    unsigned, unsigned, unsigned
+  ) : FixedBlockSizeMemoryPool(mem_space, mempool_capacity / actual_size)
+  { /* forwarding ctor, must be empty */ }
+
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool() = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool(FixedBlockSizeMemoryPool&&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool(FixedBlockSizeMemoryPool const&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool& operator=(FixedBlockSizeMemoryPool&&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool& operator=(FixedBlockSizeMemoryPool const&) = default;
+
+
+  KOKKOS_INLINE_FUNCTION
+  void* allocate(size_type alloc_size) const noexcept
+  {
+    KOKKOS_EXPECTS(alloc_size <= Size);
+    auto free_idx_counter = Kokkos::atomic_fetch_add((volatile size_type*)&m_first_free_idx, size_type(1));
+    auto free_idx_idx = free_idx_counter % m_num_blocks;
+
+    // We don't have exclusive access to m_free_indices[free_idx_idx] because
+    // the allocate counter might have lapped us since we incremented it
+    auto current_free_idx = m_free_indices[free_idx_idx];
+    size_type free_idx = IndexInUse;
+    free_idx =
+      Kokkos::atomic_compare_exchange(&m_free_indices[free_idx_idx], current_free_idx, free_idx);
+    Kokkos::memory_fence();
+
+    // TODO figure out how to decrement here?
+
+    if(free_idx == IndexInUse) {
+      return nullptr;
+    }
+    else {
+      return (void*)&m_first_block[free_idx];
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void deallocate(void* ptr, size_type alloc_size) const noexcept
+  {
+    // figure out which block we are
+    auto offset = intptr_t(ptr) - intptr_t(m_first_block);
+
+    KOKKOS_EXPECTS(offset % actual_size == 0 && offset/actual_size < m_num_blocks);
+
+    Kokkos::memory_fence();
+    auto last_idx_idx = Kokkos::atomic_fetch_add((volatile size_type*)&m_last_free_idx, size_type(1));
+    last_idx_idx %= m_num_blocks;
+    m_free_indices[last_idx_idx] = offset / actual_size;
+  }
+
+};
+
+#if 0
+template <
+  class DeviceType,
+  size_t Size,
+  size_t Align=1,
+  class SizeType = typename DeviceType::execution_space::size_type
+>
+class FixedBlockSizeChaseLevMemoryPool
+  : private MemorySpaceInstanceStorage<typename DeviceType::memory_space>
+{
+public:
+
+  using memory_space = typename DeviceType::memory_space;
+  using size_type = SizeType;
+
+private:
+
+  using memory_space_storage_base = MemorySpaceInstanceStorage<typename DeviceType::memory_space>;
+  using tracker_type = Kokkos::Impl::SharedAllocationTracker;
+  using record_type = Kokkos::Impl::SharedAllocationRecord<memory_space>;
+
+  struct alignas(Align) Block { union { char ignore; char data[Size]; }; };
+
+  static constexpr auto actual_size = sizeof(Block);
+
+  tracker_type m_tracker = { };
+  size_type m_num_blocks = 0;
+  size_type m_first_free_idx = 0;
+  size_type m_last_free_idx = 0;
+
+
+  enum : size_type { IndexInUse = ~size_type(0) };
+
+public:
+
+  FixedBlockSizeMemoryPool(
+    memory_space const& mem_space,
+    size_type num_blocks
+  ) : memory_space_storage_base(mem_space),
+    m_tracker(),
+    m_num_blocks(num_blocks),
+    m_first_free_idx(0),
+    m_last_free_idx(num_blocks)
+  {
+    // TODO alignment?
+    auto block_record = record_type::allocate(
+      mem_space, "FixedBlockSizeMemPool_blocks", num_blocks * sizeof(Block)
+    );
+    KOKKOS_ASSERT(intptr_t(block_record->data()) % Align == 0);
+    m_tracker.assign_allocated_record_to_uninitialized(block_record);
+    m_first_block = (Block*)block_record->data();
+
+    auto idx_record = record_type::allocate(
+      mem_space, "FixedBlockSizeMemPool_blocks", num_blocks * sizeof(size_type)
+    );
+    KOKKOS_ASSERT(intptr_t(idx_record->data()) % alignof(size_type) == 0);
+    m_tracker.assign_allocated_record_to_uninitialized(idx_record);
+    m_free_indices = (size_type*)idx_record->data();
+
+    for(size_type i = 0; i < num_blocks; ++i) {
+      m_free_indices[i] = i;
+    }
+
+    Kokkos::memory_fence();
+  }
+
+  // For compatibility with MemoryPool<>
+  FixedBlockSizeMemoryPool(
+    memory_space const& mem_space,
+    size_t mempool_capacity,
+    unsigned, unsigned, unsigned
+  ) : FixedBlockSizeMemoryPool(mem_space, mempool_capacity / actual_size)
+  { /* forwarding ctor, must be empty */ }
+
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool() = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool(FixedBlockSizeMemoryPool&&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool(FixedBlockSizeMemoryPool const&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool& operator=(FixedBlockSizeMemoryPool&&) = default;
+  KOKKOS_INLINE_FUNCTION FixedBlockSizeMemoryPool& operator=(FixedBlockSizeMemoryPool const&) = default;
+
+
+  KOKKOS_INLINE_FUNCTION
+  void* allocate(size_type alloc_size) const noexcept
+  {
+    KOKKOS_EXPECTS(alloc_size <= Size);
+    auto free_idx_counter = Kokkos::atomic_fetch_add((volatile size_type*)&m_first_free_idx, size_type(1));
+    auto free_idx_idx = free_idx_counter % m_num_blocks;
+
+    // We don't have exclusive access to m_free_indices[free_idx_idx] because
+    // the allocate counter might have lapped us since we incremented it
+    auto current_free_idx = m_free_indices[free_idx_idx];
+    size_type free_idx = IndexInUse;
+    free_idx =
+      Kokkos::atomic_compare_exchange(&m_free_indices[free_idx_idx], current_free_idx, free_idx);
+    Kokkos::memory_fence();
+
+    // TODO figure out how to decrement here?
+
+    if(free_idx == IndexInUse) {
+      return nullptr;
+    }
+    else {
+      return (void*)&m_first_block[free_idx];
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void deallocate(void* ptr, size_type alloc_size) const noexcept
+  {
+    // figure out which block we are
+    auto offset = intptr_t(ptr) - intptr_t(m_first_block);
+
+    KOKKOS_EXPECTS(offset % actual_size == 0 && offset/actual_size < m_num_blocks);
+
+    Kokkos::memory_fence();
+    auto last_idx_idx = Kokkos::atomic_fetch_add((volatile size_type*)&m_last_free_idx, size_type(1));
+    last_idx_idx %= m_num_blocks;
+    m_free_indices[last_idx_idx] = offset / actual_size;
+  }
+
+};
+#endif
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+#endif //KOKKOS_IMPL_KOKKOS_FIXEDBUFFERMEMORYPOOL_HPP
diff --git a/lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp b/lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp
index 7d4ffb85c124fe6b9249e7521f251e1a30692105..ea3480b48bf69419fc138fa6eda72a9dfbffd79b 100644
--- a/lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp
@@ -1432,7 +1432,10 @@ namespace Impl {
   template<typename ValueType, class JoinOp>
   struct JoinLambdaAdapter<ValueType, JoinOp, decltype( FunctorValueJoinFunction< JoinOp , void >::enable_if( & JoinOp::join ) )> {
     typedef ValueType value_type;
-    typedef StaticAssertSame<ValueType,typename JoinOp::value_type> assert_value_types_match;
+    static_assert(
+        std::is_same<ValueType,typename JoinOp::value_type>::value,
+        "JoinLambdaAdapter static_assert Fail: ValueType != JoinOp::value_type");
+
     const JoinOp& lambda;
     KOKKOS_INLINE_FUNCTION
     JoinLambdaAdapter(const JoinOp& lambda_):lambda(lambda_) {}
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp b/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
index d8cb7593bf4dc86edb83e777b5096c990c06aeca..848746d265946cb8b9d4e362581a7011ccc58ba2 100644
--- a/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
@@ -420,15 +420,19 @@ SharedAllocationRecord< Kokkos::HostSpace , void >::get_record( void * alloc_ptr
 }
 
 // Iterate records to print orphaned memory ...
+#ifdef KOKKOS_DEBUG
 void SharedAllocationRecord< Kokkos::HostSpace , void >::
 print_records( std::ostream & s , const Kokkos::HostSpace & , bool detail )
 {
-#ifdef KOKKOS_DEBUG
   SharedAllocationRecord< void , void >::print_host_accessible_records( s , "HostSpace" , & s_root_record , detail );
+}
 #else
+void SharedAllocationRecord< Kokkos::HostSpace , void >::
+print_records( std::ostream & , const Kokkos::HostSpace & , bool )
+{
   throw_runtime_exception("SharedAllocationRecord<HostSpace>::print_records only works with KOKKOS_DEBUG enabled");
-#endif
 }
+#endif
 
 } // namespace Impl
 } // namespace Kokkos
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.cpp b/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..21b95f6985fa6d0e302c3ee5d06a57c2cfa693dd
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.cpp
@@ -0,0 +1,134 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include "Kokkos_Core.hpp"
+#include "Kokkos_HostSpace_deepcopy.hpp"
+
+namespace Kokkos {
+
+namespace Impl {
+
+#ifndef KOKKOS_IMPL_HOST_DEEP_COPY_SERIAL_LIMIT
+#define KOKKOS_IMPL_HOST_DEEP_COPY_SERIAL_LIMIT 10*8192
+#endif
+
+void hostspace_parallel_deepcopy(void * dst, const void * src, ptrdiff_t n) {
+  if((n<KOKKOS_IMPL_HOST_DEEP_COPY_SERIAL_LIMIT) || (Kokkos::DefaultHostExecutionSpace().concurrency()==1)) {
+    std::memcpy(dst,src,n);
+    return;
+  }
+
+  typedef Kokkos::RangePolicy<Kokkos::DefaultHostExecutionSpace> policy_t;
+
+  // Both src and dst are aligned the same way with respect to 8 byte words
+  if(reinterpret_cast<ptrdiff_t>(src)%8 == reinterpret_cast<ptrdiff_t>(dst)%8) {
+    char* dst_c = reinterpret_cast<char*>(dst);
+    const char* src_c = reinterpret_cast<const char*>(src);
+    int count = 0;
+    // get initial bytes copied
+    while(reinterpret_cast<ptrdiff_t>(dst_c)%8!=0) {
+      *dst_c=*src_c;
+      dst_c++; src_c++; count++;
+    }
+
+    // copy the bulk of the data
+    double* dst_p = reinterpret_cast<double*>(dst_c);
+    const double* src_p = reinterpret_cast<const double*>(src_c);
+    Kokkos::parallel_for("Kokkos::Impl::host_space_deepcopy_double",policy_t(0,(n-count)/8),[=](const ptrdiff_t i) {
+      dst_p[i] = src_p[i];
+    });
+
+    // get final data copied
+    dst_c += ((n-count)/8) * 8;
+    src_c += ((n-count)/8) * 8;
+    char* dst_end = reinterpret_cast<char*>(dst)+n;
+    while(dst_c != dst_end) {
+      *dst_c = *src_c;
+      dst_c++; src_c++;
+    }
+    return;
+  }
+
+  // Both src and dst are aligned the same way with respect to 4 byte words
+  if(reinterpret_cast<ptrdiff_t>(src)%4 == reinterpret_cast<ptrdiff_t>(dst)%4) {
+    char* dst_c = reinterpret_cast<char*>(dst);
+    const char* src_c = reinterpret_cast<const char*>(src);
+    int count = 0;
+    // get initial bytes copied
+    while(reinterpret_cast<ptrdiff_t>(dst_c)%4!=0) {
+      *dst_c=*src_c;
+      dst_c++; src_c++; count++;
+    }
+
+    // copy the bulk of the data
+    int32_t* dst_p = reinterpret_cast<int32_t*>(dst_c);
+    const int32_t* src_p = reinterpret_cast<const int32_t*>(src_c);
+    Kokkos::parallel_for("Kokkos::Impl::host_space_deepcopy_int",policy_t(0,(n-count)/4),[=](const ptrdiff_t i) {
+      dst_p[i] = src_p[i];
+    });
+
+    // get final data copied
+    dst_c += ((n-count)/4) * 4;
+    src_c += ((n-count)/4) * 4;
+    char* dst_end = reinterpret_cast<char*>(dst)+n;
+    while(dst_c != dst_end) {
+      *dst_c = *src_c;
+      dst_c++; src_c++;
+    }
+    return;
+  }
+
+  // Src and dst are not aligned the same way, we can only to byte wise copy.
+  {
+    char* dst_p = reinterpret_cast<char*>(dst);
+    const char* src_p = reinterpret_cast<const char*>(src);
+    Kokkos::parallel_for("Kokkos::Impl::host_space_deepcopy_char",policy_t(0,n),[=](const ptrdiff_t i) {
+      dst_p[i] = src_p[i];
+    });
+  }
+}
+
+} // namespace Impl
+
+} // namespace Kokkos
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.hpp b/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..b8aea9536363ad1d9981e68f5c6bfa1043bd8e83
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_HostSpace_deepcopy.hpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+#include<cstdint>
+
+namespace Kokkos {
+
+namespace Impl {
+
+void hostspace_parallel_deepcopy(void * dst, const void * src, ptrdiff_t n);
+
+} // namespace Impl
+
+} // namespace Kokkos
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp b/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
index fff48e87f601b7c2aec724311d3ef0dba577440d..f44a13c5740346deb0afbf32f35c9545365337a5 100644
--- a/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
@@ -52,6 +52,8 @@
 #include <impl/Kokkos_FunctorAnalysis.hpp>
 #include <impl/Kokkos_HostBarrier.hpp>
 
+#include <limits> // std::numeric_limits
+
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
@@ -477,6 +479,9 @@ class HostThreadTeamMember {
 public:
 
   using scratch_memory_space = typename HostExecSpace::scratch_memory_space ;
+  using execution_space = HostExecSpace;
+  using thread_team_member = HostThreadTeamMember;
+  using host_thread_team_member = HostThreadTeamMember;
 
 private:
 
@@ -490,8 +495,8 @@ public:
   constexpr HostThreadTeamMember( HostThreadTeamData & arg_data ) noexcept
     : m_scratch( arg_data.team_shared() , arg_data.team_shared_bytes() )
     , m_data( arg_data )
-    , m_league_rank(0)
-    , m_league_size(1)
+    , m_league_rank(arg_data.m_league_rank)
+    , m_league_size(arg_data.m_league_size)
     {}
 
   constexpr HostThreadTeamMember( HostThreadTeamData & arg_data
@@ -630,6 +635,12 @@ public:
   KOKKOS_INLINE_FUNCTION
   typename std::enable_if< is_reducer< ReducerType >::value >::type
   team_reduce( ReducerType const & reducer ) const noexcept
+  { team_reduce(reducer,reducer.reference()); }
+
+  template< typename ReducerType >
+  KOKKOS_INLINE_FUNCTION
+  typename std::enable_if< is_reducer< ReducerType >::value >::type
+  team_reduce( ReducerType const & reducer, typename ReducerType::value_type contribution ) const noexcept
 #if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
     {
       if ( 1 < m_data.m_team_size ) {
@@ -640,7 +651,7 @@ public:
           // Non-root copies to their local buffer:
           /*reducer.copy( (value_type*) m_data.team_reduce_local()
                       , reducer.data() );*/
-          *((value_type*) m_data.team_reduce_local()) = reducer.reference();
+          *((value_type*) m_data.team_reduce_local()) = contribution;
         }
 
         // Root does not overwrite shared memory until all threads arrive
@@ -656,12 +667,13 @@ public:
             value_type * const src =
               (value_type*) m_data.team_member(i)->team_reduce_local();
 
-            reducer.join( reducer.reference(), *src);
+            reducer.join( contribution, *src);
           }
 
           // Copy result to root member's buffer:
           // reducer.copy( (value_type*) m_data.team_reduce() , reducer.data() );
-          *((value_type*) m_data.team_reduce()) = reducer.reference();
+          *((value_type*) m_data.team_reduce()) = contribution;
+          reducer.reference() = contribution;
           m_data.team_rendezvous_release();
           // This thread released all other threads from 'team_rendezvous'
           // with a return value of 'false'
@@ -670,6 +682,8 @@ public:
           // Copy from root member's buffer:
           reducer.reference() = *((value_type*) m_data.team_reduce());
         }
+      } else {
+        reducer.reference() = contribution;
       }
     }
 #else
@@ -795,50 +809,105 @@ public:
 
 namespace Kokkos {
 
-template<class Space,typename iType>
+template<typename iType, typename Member>
 KOKKOS_INLINE_FUNCTION
-Impl::TeamThreadRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >
-TeamThreadRange( Impl::HostThreadTeamMember<Space> const & member
-               , iType const & count )
+Impl::TeamThreadRangeBoundariesStruct<iType, Member>
+TeamThreadRange(
+  Member const & member,
+  iType count,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
 {
   return
     Impl::TeamThreadRangeBoundariesStruct
-      <iType,Impl::HostThreadTeamMember<Space> >(member,0,count);
+      <iType, Member>(member,0,count);
 }
 
-template<class Space, typename iType1, typename iType2>
+template<typename iType1, typename iType2, typename Member>
 KOKKOS_INLINE_FUNCTION
-Impl::TeamThreadRangeBoundariesStruct
-  < typename std::common_type< iType1, iType2 >::type
-  , Impl::HostThreadTeamMember<Space> >
-TeamThreadRange( Impl::HostThreadTeamMember<Space> const & member
-               , iType1 const & begin , iType2 const & end )
+Impl::TeamThreadRangeBoundariesStruct<
+  typename std::common_type< iType1, iType2 >::type, Member
+>
+TeamThreadRange(
+  Member const & member,
+  iType1 begin,
+  iType2 end,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
 {
   return
     Impl::TeamThreadRangeBoundariesStruct
       < typename std::common_type< iType1, iType2 >::type
-      , Impl::HostThreadTeamMember<Space> >( member , begin , end );
+      , Member >( member , begin , end );
 }
 
-template<class Space, typename iType>
+template<typename iType, typename Member>
 KOKKOS_INLINE_FUNCTION
-Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >
-ThreadVectorRange
-  ( Impl::HostThreadTeamMember<Space> const & member
-  , const iType & count )
+Impl::TeamThreadRangeBoundariesStruct<iType, Member>
+TeamVectorRange(
+  Member const & member,
+  iType count,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
 {
-  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >(member,count);
+  return
+    Impl::TeamThreadRangeBoundariesStruct
+      <iType, Member>(member,0,count);
 }
 
-template<class Space, typename iType>
+template<typename iType1, typename iType2, typename Member>
 KOKKOS_INLINE_FUNCTION
-Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >
-ThreadVectorRange
-  ( Impl::HostThreadTeamMember<Space> const & member
-  , const iType & arg_begin
-  , const iType & arg_end )
+Impl::TeamThreadRangeBoundariesStruct<
+  typename std::common_type< iType1, iType2 >::type, Member
+>
+TeamVectorRange(
+  Member const & member,
+  iType1 begin,
+  iType2 end,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
 {
-  return Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >(member,arg_begin,arg_end);
+  return
+    Impl::TeamThreadRangeBoundariesStruct
+      < typename std::common_type< iType1, iType2 >::type
+      , Member >( member , begin , end );
+}
+
+template<typename iType, typename Member>
+KOKKOS_INLINE_FUNCTION
+Impl::ThreadVectorRangeBoundariesStruct<iType, Member>
+ThreadVectorRange(
+  Member const & member,
+  iType count,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
+{
+  return Impl::ThreadVectorRangeBoundariesStruct<iType, Member>(member,count);
+}
+
+template<typename iType, typename Member>
+KOKKOS_INLINE_FUNCTION
+Impl::ThreadVectorRangeBoundariesStruct<iType, Member>
+ThreadVectorRange(
+  Member const & member,
+  iType arg_begin,
+  iType arg_end,
+  typename std::enable_if<
+    Impl::is_thread_team_member<Member>::value
+  >::type const** = nullptr
+)
+{
+  return Impl::ThreadVectorRangeBoundariesStruct<iType, Member>(member,arg_begin,arg_end);
 }
 
 //----------------------------------------------------------------------------
@@ -848,11 +917,14 @@ ThreadVectorRange
  *
  * The range [0..N) is mapped to all threads of the the calling thread team.
 */
-template<typename iType, class Space, class Closure>
+template<typename iType, class Closure, class Member>
 KOKKOS_INLINE_FUNCTION
 void parallel_for
-  ( Impl::TeamThreadRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> > const & loop_boundaries
+  ( Impl::TeamThreadRangeBoundariesStruct<iType, Member> const & loop_boundaries
   , Closure const & closure
+  , typename std::enable_if<
+      Impl::is_host_thread_team_member<Member>::value
+    >::type const** = nullptr
   )
 {
   for( iType i = loop_boundaries.start
@@ -862,11 +934,14 @@ void parallel_for
   }
 }
 
-template<typename iType, class Space, class Closure>
+template<typename iType, class Closure, class Member>
 KOKKOS_INLINE_FUNCTION
 void parallel_for
-  ( Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> > const & loop_boundaries
+  ( Impl::ThreadVectorRangeBoundariesStruct<iType, Member> const & loop_boundaries
   , Closure const & closure
+  , typename std::enable_if<
+      Impl::is_host_thread_team_member<Member>::value
+    >::type const** = nullptr
   )
 {
   #ifdef KOKKOS_ENABLE_PRAGMA_IVDEP
@@ -881,40 +956,47 @@ void parallel_for
 
 //----------------------------------------------------------------------------
 
-template< typename iType, class Space, class Closure, class Reducer >
+template< typename iType, class Closure, class Reducer, class Member >
 KOKKOS_INLINE_FUNCTION
-typename std::enable_if< Kokkos::is_reducer< Reducer >::value >::type
+typename std::enable_if<
+  Kokkos::is_reducer< Reducer >::value
+  && Impl::is_host_thread_team_member<Member>::value
+>::type
 parallel_reduce
-  ( Impl::TeamThreadRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >
+  ( Impl::TeamThreadRangeBoundariesStruct<iType, Member>
              const & loop_boundaries
   , Closure  const & closure
   , Reducer  const & reducer
   )
 {
-  reducer.init( reducer.reference() );
+  typename Reducer::value_type value;
+  reducer.init( value );
 
   for( iType i = loop_boundaries.start
      ; i <  loop_boundaries.end
      ; i += loop_boundaries.increment ) {
-    closure( i , reducer.reference() );
+    closure( i , value );
   }
-
-  loop_boundaries.thread.team_reduce( reducer );
+  
+  loop_boundaries.thread.team_reduce( reducer, value );
 }
 
-template< typename iType, class Space, typename Closure, typename ValueType >
+template< typename iType, typename Closure, typename ValueType, typename Member >
 KOKKOS_INLINE_FUNCTION
-typename std::enable_if< ! Kokkos::is_reducer<ValueType>::value >::type
+typename std::enable_if<
+  ! Kokkos::is_reducer<ValueType>::value
+  && Impl::is_host_thread_team_member<Member>::value
+>::type
 parallel_reduce
-  ( Impl::TeamThreadRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >
+  ( Impl::TeamThreadRangeBoundariesStruct<iType, Member >
              const & loop_boundaries
   , Closure  const & closure
   , ValueType      & result
   )
 {
-  Sum<ValueType> reducer( result );
-
-  reducer.init( result );
+  ValueType val;
+  Sum<ValueType> reducer( val );
+  reducer.init( val );
 
   for( iType i = loop_boundaries.start
      ; i <  loop_boundaries.end
@@ -923,6 +1005,7 @@ parallel_reduce
   }
 
   loop_boundaries.thread.team_reduce( reducer );
+  result = reducer.reference();
 }
 
 /*template< typename iType, class Space
@@ -958,11 +1041,14 @@ void parallel_reduce
  *  calling thread team and a summation of  val is
  *  performed and put into result.
  */
-template< typename iType, class Space , class Lambda, typename ValueType >
+template< typename iType, class Lambda, typename ValueType, typename Member >
 KOKKOS_INLINE_FUNCTION
-typename std::enable_if< ! Kokkos::is_reducer<ValueType>::value >::type
+typename std::enable_if<
+  ! Kokkos::is_reducer<ValueType>::value
+  && Impl::is_host_thread_team_member<Member>::value
+>::type
 parallel_reduce
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType, Member>& loop_boundaries,
    const Lambda & lambda,
    ValueType& result)
 {
@@ -974,11 +1060,14 @@ parallel_reduce
   }
 }
 
-template< typename iType, class Space , class Lambda, typename ReducerType >
+template< typename iType, class Lambda, typename ReducerType, typename Member >
 KOKKOS_INLINE_FUNCTION
-typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
+typename std::enable_if<
+  Kokkos::is_reducer< ReducerType >::value
+  && Impl::is_host_thread_team_member<Member>::value
+>::type
 parallel_reduce
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >& loop_boundaries,
+  (const Impl::ThreadVectorRangeBoundariesStruct<iType, Member>& loop_boundaries,
    const Lambda & lambda,
    const ReducerType& reducer)
 {
@@ -990,41 +1079,15 @@ parallel_reduce
   }
 }
 
-/** \brief  Intra-thread vector parallel_reduce.
- *
- *  Executes lambda(iType i, ValueType & val) for each i=[0..N)
- *
- *  The range [0..N) is mapped to all vector lanes of the the
- *  calling thread and a reduction of val is performed using
- *  JoinType(ValueType& val, const ValueType& update)
- *  and put into init_result.
- *  The input value of init_result is used as initializer for
- *  temporary variables of ValueType. Therefore * the input
- *  value should be the neutral element with respect to the
- *  join operation (e.g. '0 for +-' or * '1 for *').
- */
-template< typename iType, class Space
-        , class Lambda, class JoinType , typename ValueType >
-KOKKOS_INLINE_FUNCTION
-void parallel_reduce
-  (const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> >& loop_boundaries,
-   const Lambda & lambda,
-   const JoinType & join,
-   ValueType& result)
-{
-  for( iType i =  loop_boundaries.start ;
-             i <  loop_boundaries.end ;
-             i += loop_boundaries.increment ) {
-    lambda(i,result);
-  }
-}
-
 //----------------------------------------------------------------------------
 
-template< typename iType, class Space, class Closure >
+template< typename iType, class Closure, class Member >
 KOKKOS_INLINE_FUNCTION
-void parallel_scan
-  ( Impl::TeamThreadRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> > const & loop_boundaries
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+parallel_scan
+  ( Impl::TeamThreadRangeBoundariesStruct<iType, Member> const & loop_boundaries
   , Closure const & closure
   )
 {
@@ -1056,10 +1119,13 @@ void parallel_scan
 }
 
 
-template< typename iType, class Space, class ClosureType >
+template< typename iType, class ClosureType, class Member >
 KOKKOS_INLINE_FUNCTION
-void parallel_scan
-  ( Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::HostThreadTeamMember<Space> > const & loop_boundaries
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+parallel_scan
+  ( Impl::ThreadVectorRangeBoundariesStruct<iType, Member > const & loop_boundaries
   , ClosureType const & closure
   )
 {
@@ -1083,47 +1149,65 @@ void parallel_scan
 
 //----------------------------------------------------------------------------
 
-template< class Space >
+template< class Member >
 KOKKOS_INLINE_FUNCTION
-Impl::ThreadSingleStruct<Impl::HostThreadTeamMember<Space> >
-PerTeam(const Impl::HostThreadTeamMember<Space> & member )
+Impl::ThreadSingleStruct<Member>
+PerTeam(
+  Member const& member,
+  typename std::enable_if<Impl::is_thread_team_member<Member>::value>::type const** = nullptr
+)
 {
-  return Impl::ThreadSingleStruct<Impl::HostThreadTeamMember<Space> >(member);
+  return Impl::ThreadSingleStruct<Member>(member);
 }
 
-template< class Space >
+template< class Member >
 KOKKOS_INLINE_FUNCTION
-Impl::VectorSingleStruct<Impl::HostThreadTeamMember<Space> >
-PerThread(const Impl::HostThreadTeamMember<Space> & member)
+Impl::VectorSingleStruct<Member>
+PerThread(
+  Member const& member,
+  typename std::enable_if<Impl::is_thread_team_member<Member>::value>::type const** = nullptr
+)
 {
-  return Impl::VectorSingleStruct<Impl::HostThreadTeamMember<Space> >(member);
+  return Impl::VectorSingleStruct<Member>(member);
 }
 
-template< class Space , class FunctorType >
+template< class Member , class FunctorType >
 KOKKOS_INLINE_FUNCTION
-void single( const Impl::ThreadSingleStruct< Impl::HostThreadTeamMember<Space> > & single , const FunctorType & functor )
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+single( const Impl::ThreadSingleStruct<Member> & single , const FunctorType & functor )
 {
   // 'single' does not perform a barrier.
   if ( single.team_member.team_rank() == 0 ) functor();
 }
 
-template< class Space , class FunctorType , typename ValueType >
+template< class Member, class FunctorType , typename ValueType >
 KOKKOS_INLINE_FUNCTION
-void single( const Impl::ThreadSingleStruct< Impl::HostThreadTeamMember<Space> > & single , const FunctorType & functor , ValueType & val )
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+single( const Impl::ThreadSingleStruct<Member> & single , const FunctorType & functor , ValueType & val )
 {
   single.team_member.team_broadcast( functor , val , 0 );
 }
 
-template< class Space , class FunctorType >
+template< class Member, class FunctorType >
 KOKKOS_INLINE_FUNCTION
-void single( const Impl::VectorSingleStruct< Impl::HostThreadTeamMember<Space> > & , const FunctorType & functor )
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+single( const Impl::VectorSingleStruct<Member> & , const FunctorType & functor )
 {
   functor();
 }
 
-template< class Space , class FunctorType , typename ValueType >
+template< class Member, class FunctorType , typename ValueType >
 KOKKOS_INLINE_FUNCTION
-void single( const Impl::VectorSingleStruct< Impl::HostThreadTeamMember<Space> > & , const FunctorType & functor , ValueType & val )
+typename std::enable_if<
+  Impl::is_host_thread_team_member<Member>::value
+>::type
+single( const Impl::VectorSingleStruct<Member> & , const FunctorType & functor , ValueType & val )
 {
   functor(val);
 }
diff --git a/lib/kokkos/core/src/impl/Kokkos_LIFO.hpp b/lib/kokkos/core/src/impl/Kokkos_LIFO.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..43e9783beb39d785ad78022f440527ac2eb2ff84
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_LIFO.hpp
@@ -0,0 +1,431 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_LIFO_HPP
+#define KOKKOS_IMPL_LIFO_HPP
+
+#include <Kokkos_Macros.hpp>
+#ifdef KOKKOS_ENABLE_TASKDAG // Note: implies CUDA_VERSION >= 8000 if using CUDA
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_Error.hpp> // KOKKOS_EXPECTS
+#include <impl/Kokkos_LinkedListNode.hpp>
+
+#include <Kokkos_Atomic.hpp>  // atomic_compare_exchange, atomic_fence
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <class T>
+struct LockBasedLIFOCommon
+{
+
+  using value_type = T;
+
+  using node_type = SimpleSinglyLinkedListNode<>;
+
+  static constexpr uintptr_t LockTag = ~uintptr_t(0);
+  static constexpr uintptr_t EndTag = ~uintptr_t(1);
+
+  OwningRawPtr<node_type> m_head = (node_type*)EndTag;
+
+  KOKKOS_INLINE_FUNCTION
+  bool _try_push_node(node_type& node) {
+
+    KOKKOS_EXPECTS(!node.is_enqueued());
+
+    auto* volatile & next = LinkedListNodeAccess::next_ptr(node);
+
+    // store the head of the queue in a local variable
+    auto* old_head = m_head;
+
+    // retry until someone locks the queue or we successfully compare exchange
+    while (old_head != (node_type*)LockTag) {
+
+      // TODO @tasking @memory_order DSH this should have a memory order and not a memory fence
+
+      // set task->next to the head of the queue
+      next = old_head;
+
+      // fence to emulate acquire semantics on next and release semantics on
+      // the store of m_head
+      // Do not proceed until 'next' has been stored.
+      Kokkos::memory_fence();
+
+      // store the old head
+      auto* const old_head_tmp = old_head;
+
+      // attempt to swap task with the old head of the queue
+      // as if this were done atomically:
+      //   if(m_head == old_head) {
+      //     m_head = &node;
+      //   }
+      //   old_head = m_head;
+      old_head = ::Kokkos::atomic_compare_exchange(&m_head, old_head, &node);
+
+      if(old_head_tmp == old_head) return true;
+    }
+
+    // Failed, replace 'task->m_next' value since 'task' remains
+    // not a member of a queue.
+
+    // TODO @tasking @memory_order DSH this should have a memory order and not a memory fence
+    LinkedListNodeAccess::mark_as_not_enqueued(node);
+
+    // fence to emulate acquire semantics on next
+    // Do not proceed until 'next' has been stored.
+    ::Kokkos::memory_fence();
+
+    return false;
+  }
+
+  bool _is_empty() const noexcept {
+    // TODO @tasking @memory_order DSH make this an atomic load with memory order
+    return (volatile node_type*)this->m_head == (node_type*)EndTag;
+  }
+
+};
+
+//------------------------------------------------------------------------------
+//------------------------------------------------------------------------------
+
+template <class T>
+class LockBasedLIFO
+  : private LockBasedLIFOCommon<T>
+{
+
+private:
+
+  using base_t = LockBasedLIFOCommon<T>;
+  using node_type = typename base_t::node_type;
+
+public:
+
+  using value_type = typename base_t::value_type; // = T
+  using intrusive_node_base_type = SimpleSinglyLinkedListNode<>;
+
+public:
+
+
+  LockBasedLIFO() = default;
+  LockBasedLIFO(LockBasedLIFO const&) = delete;
+  LockBasedLIFO(LockBasedLIFO&&) = delete;
+  LockBasedLIFO& operator=(LockBasedLIFO const&) = delete;
+  LockBasedLIFO& operator=(LockBasedLIFO&&) = delete;
+
+  ~LockBasedLIFO() = default;
+
+
+  bool empty() const noexcept {
+    // TODO @tasking @memory_order DSH memory order
+    return this->_is_empty();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<T> pop(bool abort_on_locked = false)
+  {
+    // Put this in here to avoid requiring value_type to be complete until now.
+    static_assert(
+      std::is_base_of<intrusive_node_base_type, value_type>::value,
+      "Intrusive linked-list value_type must be derived from intrusive_node_base_type"
+    );
+
+    // We can't use the static constexpr LockTag directly because
+    // atomic_compare_exchange needs to bind a reference to that, and you
+    // can't do that with static constexpr variables.
+    auto* const lock_tag = (node_type*)base_t::LockTag;
+
+    // TODO @tasking @memory_order DSH shouldn't this be a relaxed atomic load?
+    // start with the return value equal to the head
+    auto* rv = this->m_head;
+
+    // Retry until the lock is acquired or the queue is empty.
+    while(rv != (node_type*)base_t::EndTag) {
+
+      // The only possible values for the queue are
+      // (1) lock, (2) end, or (3) a valid task.
+      // Thus zero will never appear in the queue.
+      //
+      // If queue is locked then just read by guaranteeing the CAS will fail.
+      KOKKOS_ASSERT(rv != nullptr);
+
+      if(rv == lock_tag) {
+        // TODO @tasking @memory_order DSH this should just be an atomic load followed by a continue
+        // just set rv to nullptr for now, effectively turning the
+        // atomic_compare_exchange below into a load
+        rv = nullptr;
+        if(abort_on_locked) {
+          break;
+        }
+      }
+
+      auto* const old_rv = rv;
+
+      // TODO @tasking @memory_order DSH this should be a weak compare exchange in a loop
+      rv = Kokkos::atomic_compare_exchange(&(this->m_head), old_rv, lock_tag);
+
+      if(rv == old_rv) {
+        // CAS succeeded and queue is locked
+        //
+        // This thread has locked the queue and removed 'rv' from the queue.
+        // Extract the next entry of the queue from 'rv->m_next'
+        // and mark 'rv' as popped from a queue by setting
+        // 'rv->m_next = nullptr'.
+        //
+        // Place the next entry in the head of the queue,
+        // which also unlocks the queue.
+        //
+        // This thread has exclusive access to
+        // the queue and the popped task's m_next.
+
+        // TODO @tasking @memory_order DSH check whether the volatile is needed here
+        auto* volatile& next = LinkedListNodeAccess::next_ptr(*rv); //->m_next;
+
+        // This algorithm is not lockfree because a adversarial scheduler could
+        // context switch this thread at this point and the rest of the threads
+        // calling this method would never make forward progress
+
+        // TODO @tasking @memory_order DSH I think this needs to be a atomic store release (and the memory fence needs to be removed)
+        // TODO @tasking DSH prove that this doesn't need to be a volatile store
+        // Lock is released here
+        this->m_head = next;
+
+        // Mark rv as popped by assigning nullptr to the next
+        LinkedListNodeAccess::mark_as_not_enqueued(*rv);
+
+        Kokkos::memory_fence();
+
+        return OptionalRef<T>{ *static_cast<T*>(rv) };
+      }
+
+      // Otherwise, the CAS got a value that didn't match (either because
+      // another thread locked the queue and we observed the lock tag or because
+      // another thread replaced the head and now we want to try to lock the
+      // queue with that as the popped item.  Either way, try again.
+    }
+
+    // Return an empty OptionalRef by calling the default constructor
+    return { };
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<T>
+  steal()
+  {
+    // TODO @tasking @optimization DSH do this with fewer retries
+    return pop(/* abort_on_locked = */ true);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool push(node_type& node)
+  {
+    while(!this->_try_push_node(node)) { /* retry until success */ }
+    // for consistency with push interface on other queue types:
+    return true;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool push(node_type&& node)
+  {
+    // Just forward to the lvalue version
+    return push(node);
+  }
+
+};
+
+
+/** @brief A Multiple Producer, Single Consumer Queue with some special semantics
+ *
+ * This multi-producer, single consumer queue has the following semantics:
+ *
+ *   - Any number of threads may call `try_emplace`/`try_push`
+ *       + These operations are lock-free.
+ *   - Exactly one thread calls `consume()`, and the call occurs exactly once
+ *     in the lifetime of the queue.
+ *       + This operation is lock-free (and wait-free w.r.t. producers)
+ *   - Any calls to `try_push` that happen-before the call to
+ *     `consume()` will succeed and return an true, such that the `consume()`
+ *     call will visit that node.
+ *   - Any calls to `try_push` for which the single call to `consume()`
+ *     happens-before those calls will return false and the node given as
+ *     an argument to `try_push` will not be visited by consume()
+ *
+ *
+ * @tparam T The type of items in the queue
+ *
+ */
+template <class T>
+class SingleConsumeOperationLIFO
+  : private LockBasedLIFOCommon<T>
+{
+private:
+
+  using base_t = LockBasedLIFOCommon<T>;
+  using node_type = typename base_t::node_type;
+
+  // Allows us to reuse the existing infrastructure for
+  static constexpr auto ConsumedTag = base_t::LockTag;
+
+public:
+
+  using value_type = typename base_t::value_type; // = T
+
+  KOKKOS_INLINE_FUNCTION
+  SingleConsumeOperationLIFO() noexcept = default;
+
+  SingleConsumeOperationLIFO(SingleConsumeOperationLIFO const&) = delete;
+  SingleConsumeOperationLIFO(SingleConsumeOperationLIFO&&) = delete;
+  SingleConsumeOperationLIFO& operator=(SingleConsumeOperationLIFO const&) = delete;
+  SingleConsumeOperationLIFO& operator=(SingleConsumeOperationLIFO&&) = delete;
+
+  KOKKOS_INLINE_FUNCTION
+  ~SingleConsumeOperationLIFO() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  bool empty() const noexcept {
+    // TODO @tasking @memory_order DSH memory order
+    return this->_is_empty();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_consumed() const noexcept {
+    // TODO @tasking @memory_order DSH memory order?
+    return this->m_head == (node_type*)ConsumedTag;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool try_push(node_type& node)
+  {
+    return this->_try_push_node(node);
+    // Ensures: (return value is true) || (node.is_enqueued() == false);
+  }
+
+  template <class Function>
+  KOKKOS_INLINE_FUNCTION
+  void consume(Function&& f) {
+    auto* const consumed_tag = (node_type*)ConsumedTag;
+
+    // Swap the Consumed tag into the head of the queue:
+
+    // (local variable used for assertion only)
+    // TODO @tasking @memory_order DSH this should have memory order release, I think
+    Kokkos::memory_fence();
+    auto old_head = Kokkos::atomic_exchange(&(this->m_head), consumed_tag);
+
+    // Assert that the queue wasn't consumed before this
+    // This can't be an expects clause because the acquire fence on the read
+    // would be a side-effect
+    KOKKOS_ASSERT(old_head != consumed_tag);
+
+    // We now have exclusive access to the queue; loop over it and call
+    // the user function
+    while(old_head != (node_type*)base_t::EndTag) {
+
+      // get the Node to make the call with
+      auto* call_arg = old_head;
+
+      // advance the head
+      old_head = LinkedListNodeAccess::next_ptr(*old_head);
+
+      // Mark as popped before proceeding
+      LinkedListNodeAccess::mark_as_not_enqueued(*call_arg);
+
+      // Call the user function
+      auto& arg = *static_cast<T*>(call_arg);
+      f(std::move(arg));
+
+    }
+
+  }
+
+};
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+struct TaskQueueTraitsLockBased
+{
+
+  // TODO @tasking @documentation DSH document what concepts these match
+
+  template <class Task>
+  using ready_queue_type = LockBasedLIFO<Task>;
+
+  template <class Task>
+  using waiting_queue_type = SingleConsumeOperationLIFO<Task>;
+
+  template <class Task>
+  using intrusive_task_base_type =
+    typename ready_queue_type<Task>::intrusive_node_base_type;
+
+  static constexpr auto ready_queue_insertion_may_fail = false;
+
+};
+
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* defined KOKKOS_ENABLE_TASKDAG */
+#endif /* #ifndef KOKKOS_IMPL_LIFO_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_LinkedListNode.hpp b/lib/kokkos/core/src/impl/Kokkos_LinkedListNode.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..78a6faca907069b3a8cfe202d481ff80ea9ba5a8
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_LinkedListNode.hpp
@@ -0,0 +1,206 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_LINKEDLISTNODE_HPP
+#define KOKKOS_IMPL_LINKEDLISTNODE_HPP
+
+#include <Kokkos_Macros.hpp>
+#ifdef KOKKOS_ENABLE_TASKDAG // Note: implies CUDA_VERSION >= 8000 if using CUDA
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_Error.hpp> // KOKKOS_EXPECTS
+
+#include <Kokkos_Atomic.hpp>  // atomic_compare_exchange, atomic_fence
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+struct LinkedListNodeAccess;
+
+template <
+  uintptr_t NotEnqueuedValue = 0,
+  template <class> class PointerTemplate = std::add_pointer
+>
+struct SimpleSinglyLinkedListNode
+{
+
+private:
+
+  using pointer_type = typename PointerTemplate<SimpleSinglyLinkedListNode>::type;
+
+  pointer_type m_next = reinterpret_cast<pointer_type>(NotEnqueuedValue);
+
+  // These are private because they are an implementation detail of the queue
+  // and should not get added to the value type's interface via the intrusive
+  // wrapper.
+
+  KOKKOS_INLINE_FUNCTION
+  void mark_as_not_enqueued() noexcept {
+    // TODO @tasking @memory_order DSH make this an atomic store with memory order
+    m_next = (pointer_type)NotEnqueuedValue;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void mark_as_not_enqueued() volatile noexcept {
+    // TODO @tasking @memory_order DSH make this an atomic store with memory order
+    m_next = (pointer_type)NotEnqueuedValue;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  pointer_type& _next_ptr() noexcept {
+    return m_next;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  pointer_type volatile& _next_ptr() volatile noexcept {
+    return m_next;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  pointer_type const& _next_ptr() const noexcept {
+    return m_next;
+  }
+  
+  KOKKOS_INLINE_FUNCTION
+  pointer_type const volatile& _next_ptr() const volatile noexcept {
+    return m_next;
+  }
+
+  friend struct LinkedListNodeAccess;
+
+public:
+
+  // KOKKOS_CONSTEXPR_14
+  KOKKOS_INLINE_FUNCTION
+  bool is_enqueued() const noexcept {
+    // TODO @tasking @memory_order DSH make this an atomic load with memory order
+    return m_next != reinterpret_cast<pointer_type>(NotEnqueuedValue);
+  }
+
+  // KOKKOS_CONSTEXPR_14
+  KOKKOS_INLINE_FUNCTION
+  bool is_enqueued() const volatile noexcept {
+    // TODO @tasking @memory_order DSH make this an atomic load with memory order
+    return m_next != reinterpret_cast<pointer_type>(NotEnqueuedValue);
+  }
+
+};
+
+/// Attorney for LinkedListNode, since user types inherit from it
+struct LinkedListNodeAccess
+{
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static void mark_as_not_enqueued(Node& node) noexcept {
+    node.mark_as_not_enqueued();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static void mark_as_not_enqueued(Node volatile& node) noexcept {
+    node.mark_as_not_enqueued();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static
+  typename Node::pointer_type&
+  next_ptr(Node& node) noexcept {
+    return node._next_ptr();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static
+  typename Node::pointer_type&
+  next_ptr(Node volatile& node) noexcept {
+    return node._next_ptr();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static
+  typename Node::pointer_type&
+  next_ptr(Node const& node) noexcept {
+    return node._next_ptr();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static
+  typename Node::pointer_type&
+  prev_ptr(Node& node) noexcept {
+    return node._prev_ptr();
+  }
+
+  template <class Node>
+  KOKKOS_INLINE_FUNCTION
+  static
+  typename Node::pointer_type&
+  prev_ptr(Node const& node) noexcept {
+    return node._prev_ptr();
+  }
+
+};
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* defined KOKKOS_ENABLE_TASKDAG */
+#endif /* #ifndef KOKKOS_IMPL_LINKEDLISTNODE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_MemoryPoolAllocator.hpp b/lib/kokkos/core/src/impl/Kokkos_MemoryPoolAllocator.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..b4629df5b0a4260013ebe9d993fff885f81513be
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_MemoryPoolAllocator.hpp
@@ -0,0 +1,140 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_MEMORYPOOLALLOCATOR_HPP
+#define KOKKOS_IMPL_MEMORYPOOLALLOCATOR_HPP
+
+#include <Kokkos_Macros.hpp>
+
+#include <Kokkos_Core_fwd.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+namespace Kokkos {
+namespace Impl {
+
+template <class MemoryPool, class T>
+class MemoryPoolAllocator {
+public:
+
+  using memory_pool = MemoryPool;
+
+private:
+
+  memory_pool m_pool;
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  MemoryPoolAllocator() = default;
+  KOKKOS_INLINE_FUNCTION
+  MemoryPoolAllocator(MemoryPoolAllocator const&) = default;
+  KOKKOS_INLINE_FUNCTION
+  MemoryPoolAllocator(MemoryPoolAllocator&&) = default;
+  KOKKOS_INLINE_FUNCTION
+  MemoryPoolAllocator& operator=(MemoryPoolAllocator const&) = default;
+  KOKKOS_INLINE_FUNCTION
+  MemoryPoolAllocator& operator=(MemoryPoolAllocator&&) = default;
+  KOKKOS_INLINE_FUNCTION
+  ~MemoryPoolAllocator() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  explicit MemoryPoolAllocator(memory_pool const& arg_pool) : m_pool(arg_pool) { }
+  KOKKOS_INLINE_FUNCTION
+  explicit MemoryPoolAllocator(memory_pool&& arg_pool) : m_pool(std::move(arg_pool)) { }
+
+public:
+
+  using value_type = T;
+  using pointer = T*;
+  using size_type = typename MemoryPool::memory_space::size_type;
+  using difference_type = typename std::make_signed<size_type>::type;
+
+  template <class U>
+  struct rebind {
+    using other = MemoryPoolAllocator<MemoryPool, U>;
+  };
+
+  KOKKOS_INLINE_FUNCTION
+  pointer allocate(size_t n) {
+    void* rv = m_pool.allocate(n * sizeof(T));
+    if(rv == nullptr) {
+      Kokkos::abort("Kokkos MemoryPool allocator failed to allocate memory");
+    }
+    return reinterpret_cast<T*>(rv);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void deallocate(T* ptr, size_t n) {
+    m_pool.deallocate(ptr, n * sizeof(T));
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  size_type max_size() const {
+    return m_pool.max_block_size();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool operator==(MemoryPoolAllocator const& other) const {
+    return m_pool == other.m_pool;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool operator!=(MemoryPoolAllocator const& other) const {
+    return !(*this == other);
+  }
+
+};
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+
+#endif /* #ifndef KOKKOS_IMPL_MEMORYPOOLALLOCATOR_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_MultipleTaskQueue.hpp b/lib/kokkos/core/src/impl/Kokkos_MultipleTaskQueue.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..ed8d2be5aea514e9cb61e0221e6c2d916a4a0cdc
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_MultipleTaskQueue.hpp
@@ -0,0 +1,616 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_MULTIPLETASKQUEUE_HPP
+#define KOKKOS_IMPL_MULTIPLETASKQUEUE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_MemoryPool.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+
+#include <impl/Kokkos_TaskQueueMemoryManager.hpp>
+#include <impl/Kokkos_TaskQueueCommon.hpp>
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_LIFO.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+// A *non*-concurrent linked list of tasks that failed to be enqueued
+// (We can't reuse the wait queue for this because of the semantics of that
+// queue that require it to be popped exactly once, and if a task has failed
+// to be enqueued, it has already been marked ready)
+template <class TaskQueueTraits>
+struct FailedQueueInsertionLinkedListSchedulingInfo {
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  task_base_type* next = nullptr;
+};
+
+struct EmptyTaskSchedulingInfo { };
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <
+  class ExecSpace,
+  class MemorySpace,
+  class TaskQueueTraits,
+  class MemoryPool
+>
+class MultipleTaskQueue;
+
+template <class TaskQueueTraits>
+struct MultipleTaskQueueTeamEntry {
+public:
+
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using runnable_task_base_type = RunnableTaskBase<TaskQueueTraits>;
+  using ready_queue_type = typename TaskQueueTraits::template ready_queue_type<task_base_type>;
+  using task_queue_traits = TaskQueueTraits;
+  using task_scheduling_info_type = typename std::conditional<
+    TaskQueueTraits::ready_queue_insertion_may_fail,
+    FailedQueueInsertionLinkedListSchedulingInfo<TaskQueueTraits>,
+    EmptyTaskSchedulingInfo
+  >::type;
+
+private:
+
+  // Number of allowed priorities
+  static constexpr int NumPriorities = 3;
+
+  ready_queue_type m_ready_queues[NumPriorities][2];
+
+  task_base_type* m_failed_heads[NumPriorities][2];
+
+  KOKKOS_INLINE_FUNCTION
+  task_base_type*&
+  failed_head_for(runnable_task_base_type const& task)
+  {
+    return m_failed_heads[int(task.get_priority())][int(task.get_task_type())];
+  }
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<task_base_type>
+  _pop_failed_insertion(
+    int priority, TaskType type,
+    typename std::enable_if<
+      task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value,
+      void*
+    >::type = nullptr
+  ) {
+    auto* rv_ptr = m_failed_heads[priority][(int)type];
+    if(rv_ptr) {
+      m_failed_heads[priority][(int)type] =
+        rv_ptr->as_runnable_task()
+          .template scheduling_info_as<task_scheduling_info_type>()
+            .next;
+      return OptionalRef<task_base_type>{ *rv_ptr };
+    }
+    else {
+      return OptionalRef<task_base_type>{ nullptr };
+    }
+  }
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<task_base_type>
+  _pop_failed_insertion(
+    int priority, TaskType type,
+    typename std::enable_if<
+      not task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value,
+      void*
+    >::type = nullptr
+  ) {
+    return OptionalRef<task_base_type>{ nullptr };
+  }
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  MultipleTaskQueueTeamEntry() {
+    for(int iPriority = 0; iPriority < NumPriorities; ++iPriority) {
+      for(int iType = 0; iType < 2; ++iType) {
+        m_failed_heads[iPriority][iType] = nullptr;
+      }
+    }
+  }
+
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<task_base_type>
+  try_to_steal_ready_task()
+  {
+    auto return_value = OptionalRef<task_base_type>{};
+    // prefer lower priority tasks when stealing
+    for(int i_priority = NumPriorities-1; i_priority >= 0; --i_priority) {
+      // Check for a single task with this priority
+      return_value = m_ready_queues[i_priority][TaskSingle].steal();
+      if(return_value) return return_value;
+
+      // Check for a team task with this priority
+      return_value = m_ready_queues[i_priority][TaskTeam].steal();
+      if(return_value) return return_value;
+
+    }
+    return return_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<task_base_type>
+  pop_ready_task()
+  {
+    auto return_value = OptionalRef<task_base_type>{};
+    for(int i_priority = 0; i_priority < NumPriorities; ++i_priority) {
+      return_value = _pop_failed_insertion(i_priority, TaskTeam);
+      if(not return_value) return_value = m_ready_queues[i_priority][TaskTeam].pop();
+      if(return_value) return return_value;
+
+      // Check for a single task with this priority
+      return_value = _pop_failed_insertion(i_priority, TaskSingle);
+      if(not return_value) return_value = m_ready_queues[i_priority][TaskSingle].pop();
+      if(return_value) return return_value;
+    }
+    return return_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ready_queue_type&
+  team_queue_for(runnable_task_base_type const& task)
+  {
+    return m_ready_queues[int(task.get_priority())][int(task.get_task_type())];
+  }
+
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  void do_handle_failed_insertion(
+    runnable_task_base_type&& task,
+    typename std::enable_if<
+      task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value,
+      void*
+    >::type = nullptr
+  )
+  {
+    // failed insertions, if they happen, must be from the only thread that
+    // is allowed to push to m_ready_queues, so this linked-list insertion is not
+    // concurrent
+    auto& node = task.template scheduling_info_as<task_scheduling_info_type>();
+    auto*& head = failed_head_for(task);
+    node.next = head;
+    head = &task;
+  }
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  void do_handle_failed_insertion(
+    runnable_task_base_type&& task,
+    typename std::enable_if<
+      not task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value,
+      void*
+    >::type = nullptr
+  )
+  {
+    Kokkos::abort("should be unreachable!");
+  }
+
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  void
+  flush_failed_insertions(
+    int priority,
+    int task_type,
+    typename std::enable_if<
+      task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value, // just to make this dependent on template parameter
+      int
+    >::type = 0
+  ) {
+    // TODO @tasking @minor DSH this somethimes gets some things out of LIFO order, which may be undesirable (but not a bug)
+
+
+    auto*& failed_head = m_failed_heads[priority][task_type];
+    auto& team_queue = m_ready_queues[priority][task_type];
+
+    while(failed_head != nullptr) {
+      bool success = team_queue.push(*failed_head);
+      if(success) {
+        // Step to the next linked list element
+        failed_head = failed_head->as_runnable_task()
+          .template scheduling_info_as<task_scheduling_info_type>().next;
+      }
+      else {
+        // no more room, stop traversing and leave the head where it is
+        break;
+      }
+    }
+  }
+
+
+  template <class _always_void=void>
+  KOKKOS_INLINE_FUNCTION
+  void
+  flush_failed_insertions(
+    int, int,
+    typename std::enable_if<
+      not task_queue_traits::ready_queue_insertion_may_fail
+        and std::is_void<_always_void>::value, // just to make this dependent on template parameter
+      int
+    >::type = 0
+  ) { }
+
+
+  KOKKOS_INLINE_FUNCTION
+  void
+  flush_all_failed_insertions() {
+    for(int iPriority = 0; iPriority < NumPriorities; ++iPriority) {
+      flush_failed_insertions(iPriority, (int)TaskType::TaskTeam);
+      flush_failed_insertions(iPriority, (int)TaskType::TaskSingle);
+    }
+  }
+
+
+  template <class TeamSchedulerInfo, class ExecutionSpace, class MemorySpace, class MemoryPool>
+  KOKKOS_INLINE_FUNCTION
+  void
+  do_schedule_runnable(
+    MultipleTaskQueue<ExecutionSpace, MemorySpace, TaskQueueTraits, MemoryPool>& queue,
+    RunnableTaskBase<TaskQueueTraits>&& task,
+    TeamSchedulerInfo const& info
+
+  ) {
+    // Push on any nodes that failed to enqueue
+    auto& team_queue = team_queue_for(task);
+    auto priority = task.get_priority();
+    auto task_type = task.get_task_type();
+
+    // First schedule the task
+    queue.schedule_runnable_to_queue(
+      std::move(task),
+      team_queue,
+      info
+    );
+
+    // Task may be enqueued and may be run at any point; don't touch it (hence
+    // the use of move semantics)
+    flush_failed_insertions((int)priority, (int)task_type);
+  }
+
+
+
+};
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <
+  class ExecSpace,
+  class MemorySpace,
+  class TaskQueueTraits,
+  class MemoryPool
+>
+class MultipleTaskQueue final
+  : public TaskQueueMemoryManager<ExecSpace, MemorySpace, MemoryPool>,
+    public TaskQueueCommonMixin<MultipleTaskQueue<ExecSpace, MemorySpace, TaskQueueTraits, MemoryPool>>,
+    private ObjectWithVLAEmulation<
+      MultipleTaskQueue<ExecSpace, MemorySpace, TaskQueueTraits, MemoryPool>,
+      MultipleTaskQueueTeamEntry<TaskQueueTraits>
+    >
+{
+public:
+
+  using task_queue_type = MultipleTaskQueue; // mark as task_queue concept
+  using task_queue_traits = TaskQueueTraits;
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using ready_queue_type = typename TaskQueueTraits::template ready_queue_type<task_base_type>;
+
+private:
+
+  using base_t = TaskQueueMemoryManager<ExecSpace, MemorySpace, MemoryPool>;
+  using common_mixin_t = TaskQueueCommonMixin<MultipleTaskQueue>;
+  using vla_emulation_base_t = ObjectWithVLAEmulation<
+    MultipleTaskQueue<ExecSpace, MemorySpace, TaskQueueTraits, MemoryPool>,
+    MultipleTaskQueueTeamEntry<TaskQueueTraits>
+  >;
+
+  // Allow private inheritance from ObjectWithVLAEmulation
+  friend struct VLAEmulationAccess;
+
+public:
+
+  struct SchedulerInfo {
+    using team_queue_id_t = int32_t;
+    static constexpr team_queue_id_t NoAssociatedTeam = -1;
+    team_queue_id_t team_association = NoAssociatedTeam;
+
+    using scheduler_info_type = SchedulerInfo;
+
+    KOKKOS_INLINE_FUNCTION
+    constexpr explicit SchedulerInfo(team_queue_id_t association) noexcept
+      : team_association(association)
+    { }
+
+    KOKKOS_INLINE_FUNCTION
+    SchedulerInfo() = default;
+
+    KOKKOS_INLINE_FUNCTION
+    SchedulerInfo(SchedulerInfo const&) = default;
+
+    KOKKOS_INLINE_FUNCTION
+    SchedulerInfo(SchedulerInfo&&) = default;
+
+    KOKKOS_INLINE_FUNCTION
+    SchedulerInfo& operator=(SchedulerInfo const&) = default;
+
+    KOKKOS_INLINE_FUNCTION
+    SchedulerInfo& operator=(SchedulerInfo&&) = default;
+
+    KOKKOS_INLINE_FUNCTION
+    ~SchedulerInfo() = default;
+
+  };
+
+  using task_scheduling_info_type = typename std::conditional<
+    TaskQueueTraits::ready_queue_insertion_may_fail,
+    FailedQueueInsertionLinkedListSchedulingInfo<TaskQueueTraits>,
+    EmptyTaskSchedulingInfo
+  >::type;
+  using team_scheduler_info_type = SchedulerInfo;
+
+  using runnable_task_base_type = RunnableTaskBase<TaskQueueTraits>;
+
+  template <class Functor, class Scheduler>
+    // requires TaskScheduler<Scheduler> && TaskFunctor<Functor>
+  using runnable_task_type = RunnableTask<
+    task_queue_traits, Scheduler, typename Functor::value_type, Functor
+  >;
+
+  using aggregate_task_type = AggregateTask<task_queue_traits, task_scheduling_info_type>;
+
+  // Number of allowed priorities
+  static constexpr int NumPriorities = 3;
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr typename vla_emulation_base_t::vla_entry_count_type
+  n_queues() const noexcept { return this->n_vla_entries(); }
+
+public:
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Constructors, destructors, and assignment"> {{{2
+
+  MultipleTaskQueue() = delete;
+  MultipleTaskQueue(MultipleTaskQueue const&) = delete;
+  MultipleTaskQueue(MultipleTaskQueue&&) = delete;
+  MultipleTaskQueue& operator=(MultipleTaskQueue const&) = delete;
+  MultipleTaskQueue& operator=(MultipleTaskQueue&&) = delete;
+
+  MultipleTaskQueue(
+    typename base_t::execution_space const& arg_execution_space,
+    typename base_t::memory_space const&,
+    typename base_t::memory_pool const& arg_memory_pool
+  ) : base_t(arg_memory_pool),
+      vla_emulation_base_t(
+        Impl::TaskQueueSpecialization<
+          // TODO @tasking @generalization DSH avoid referencing SimpleTaskScheduler directly?
+          SimpleTaskScheduler<typename base_t::execution_space, MultipleTaskQueue>
+        >::get_max_team_count(arg_execution_space)
+      )
+  { }
+
+  // </editor-fold> end Constructors, destructors, and assignment }}}2
+  //----------------------------------------------------------------------------
+
+  KOKKOS_FUNCTION
+  void
+  schedule_runnable(
+    runnable_task_base_type&& task,
+    team_scheduler_info_type const& info
+  ) {
+    auto team_association = info.team_association;
+    // Should only not be assigned if this is a host spawn...
+    if(team_association == team_scheduler_info_type::NoAssociatedTeam) {
+      team_association = 0;
+    }
+    this->vla_value_at(team_association).do_schedule_runnable(*this, std::move(task), info);
+    // Task may be enqueued and may be run at any point; don't touch it (hence
+    // the use of move semantics)
+  }
+
+  KOKKOS_FUNCTION
+  OptionalRef<task_base_type>
+  pop_ready_task(
+    team_scheduler_info_type const& info
+  )
+  {
+    KOKKOS_EXPECTS(info.team_association != team_scheduler_info_type::NoAssociatedTeam);
+
+    auto return_value = OptionalRef<task_base_type>{};
+    auto team_association = info.team_association;
+
+    // always loop in order of priority first, then prefer team tasks over single tasks
+    auto& team_queue_info = this->vla_value_at(team_association);
+
+    if(task_queue_traits::ready_queue_insertion_may_fail) {
+      team_queue_info.flush_all_failed_insertions();
+    }
+
+    return_value = team_queue_info.pop_ready_task();
+
+    if(not return_value) {
+
+      // loop through the rest of the teams and try to steal
+      for(
+        auto isteal = (team_association + 1) % this->n_queues();
+        isteal != team_association;
+        isteal = (isteal + 1) % this->n_queues()
+      ) {
+        return_value = this->vla_value_at(isteal).try_to_steal_ready_task();
+        if(return_value) { break; }
+      }
+
+      // Note that this is where we'd update the task's scheduling info
+    }
+    // if nothing was found, return a default-constructed (empty) OptionalRef
+    return return_value;
+  }
+
+
+  // TODO @tasking @generalization DSH make this a property-based customization point
+  KOKKOS_INLINE_FUNCTION
+  team_scheduler_info_type
+  initial_team_scheduler_info(int rank_in_league) const noexcept {
+    return team_scheduler_info_type{
+      typename team_scheduler_info_type::team_queue_id_t(rank_in_league % n_queues())
+    };
+  }
+
+  // TODO @tasking @generalization DSH make this a property-based customization point
+  static /* KOKKOS_CONSTEXPR_14 */ size_t
+  task_queue_allocation_size(
+    typename base_t::execution_space const& exec_space,
+    typename base_t::memory_space const&,
+    typename base_t::memory_pool const&
+  )
+  {
+    using specialization =
+      Impl::TaskQueueSpecialization<
+        // TODO @tasking @generalization DSH avoid referencing SimpleTaskScheduler directly?
+        SimpleTaskScheduler<typename base_t::execution_space, MultipleTaskQueue>
+      >;
+
+    return vla_emulation_base_t::required_allocation_size(
+      /* num_vla_entries = */ specialization::get_max_team_count(exec_space)
+    );
+  }
+
+  // Provide a sensible default that can be overridden
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    runnable_task_base_type& ready_task,
+    runnable_task_base_type const& predecessor
+  ) const
+  {
+    // Do nothing; we're using the extra storage for the failure linked list
+  }
+
+  // Provide a sensible default that can be overridden
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    aggregate_task_type& aggregate,
+    runnable_task_base_type const& predecessor
+  ) const
+  {
+    // Do nothing; we're using the extra storage for the failure linked list
+  }
+
+  // Provide a sensible default that can be overridden
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    aggregate_task_type& aggregate,
+    aggregate_task_type const& predecessor
+  ) const
+  {
+    // Do nothing; we're using the extra storage for the failure linked list
+  }
+
+  // Provide a sensible default that can be overridden
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    runnable_task_base_type& ready_task,
+    aggregate_task_type const& predecessor
+  ) const
+  {
+    // Do nothing; we're using the extra storage for the failure linked list
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void
+  handle_failed_ready_queue_insertion(
+    runnable_task_base_type&& task,
+    ready_queue_type&,
+    team_scheduler_info_type const& info
+  ) {
+    KOKKOS_EXPECTS(info.team_association != team_scheduler_info_type::NoAssociatedTeam);
+
+    this->vla_value_at(info.team_association).do_handle_failed_insertion(
+      std::move(task)
+    );
+  }
+};
+
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_MULTIPLETASKQUEUE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_OptionalRef.hpp b/lib/kokkos/core/src/impl/Kokkos_OptionalRef.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..bf83d1831c2550fc88c2f7780fb8c72ea8312651
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_OptionalRef.hpp
@@ -0,0 +1,242 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_OPTIONALREF_HPP
+#define KOKKOS_IMPL_OPTIONALREF_HPP
+
+#include <Kokkos_Macros.hpp>
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+#include <impl/Kokkos_Error.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+namespace Kokkos {
+namespace Impl {
+
+struct InPlaceTag { };
+
+template <class T>
+struct OptionalRef {
+private:
+
+  ObservingRawPtr<T> m_value = nullptr;
+
+public:
+
+  using value_type = T;
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef(OptionalRef const&) = default;
+  
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef(OptionalRef&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef& operator=(OptionalRef const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  // Can't return a reference to volatile OptionalRef, since GCC issues a warning about
+  // reference to volatile not accessing the underlying value
+  void
+  operator=(OptionalRef const volatile& other) volatile noexcept
+  {
+    m_value = other.m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef& operator=(OptionalRef&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  ~OptionalRef() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  explicit OptionalRef(T& arg_value) : m_value(&arg_value) { }
+
+  KOKKOS_INLINE_FUNCTION
+  explicit OptionalRef(std::nullptr_t) : m_value(nullptr) { }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef& operator=(T& arg_value) { m_value = &arg_value; return *this; }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef& operator=(std::nullptr_t) { m_value = nullptr; return *this; }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<typename std::add_volatile<T>::type>
+  as_volatile() volatile noexcept {
+    return 
+      OptionalRef<typename std::add_volatile<T>::type>(*(*this));
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  OptionalRef<typename std::add_volatile<typename std::add_const<T>::type>::type>
+  as_volatile() const volatile noexcept {
+    return 
+      OptionalRef<typename std::add_volatile<typename std::add_const<T>::type>::type>(*(*this));
+  }
+
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  T& operator*() & {
+    KOKKOS_EXPECTS(this->has_value());
+    return *m_value;
+  }
+   
+  KOKKOS_INLINE_FUNCTION
+  T const& operator*() const & {
+    KOKKOS_EXPECTS(this->has_value());
+    return *m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T volatile& operator*() volatile & {
+    KOKKOS_EXPECTS(this->has_value());
+    return *m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const volatile& operator*() const volatile & {
+    KOKKOS_EXPECTS(this->has_value());
+    return *m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T&& operator*() && {
+    KOKKOS_EXPECTS(this->has_value());
+    return std::move(*m_value);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T* operator->() {
+    KOKKOS_EXPECTS(this->has_value());
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const* operator->() const {
+    KOKKOS_EXPECTS(this->has_value());
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T volatile* operator->() volatile {
+    KOKKOS_EXPECTS(this->has_value());
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const volatile* operator->() const volatile {
+    KOKKOS_EXPECTS(this->has_value());
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T* get() {
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const* get() const {
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T volatile* get() volatile {
+    return m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  T const volatile* get() const volatile {
+    return m_value;
+  }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  operator bool() { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  operator bool() const { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  operator bool() volatile { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  operator bool() const volatile { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool has_value() { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool has_value() const { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool has_value() volatile { return m_value != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool has_value() const volatile { return m_value != nullptr; }
+  
+};
+
+} // end namespace Impl
+} // end namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+
+#endif /* #ifndef KOKKOS_IMPL_OPTIONALREF_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
index d84a8546225808b9ac8a26de72fe61e394050989..687a0e9c371292b81ce9ebde90bb52e037397083 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
@@ -55,104 +55,7 @@
 namespace Kokkos {
 namespace Impl {
 
-template class TaskQueue< Kokkos::Serial > ;
-
-void TaskQueueSpecialization< Kokkos::Serial >::execute
-  ( TaskQueue< Kokkos::Serial > * const queue )
-{
-  using exec_space = Kokkos::Serial ;
-  using tqs_queue_type      = TaskQueue< exec_space > ;
-  using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< exec_space > ;
-
-  task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
-
-  // Set default buffers
-  serial_resize_thread_team_data( 0   /* global reduce buffer */
-                                , 512 /* team reduce buffer */
-                                , 0   /* team shared buffer */
-                                , 0   /* thread local buffer */
-                                );
-
-  Impl::HostThreadTeamData * const data = Impl::serial_get_thread_team_data();
-
-  Member exec( *data );
-
-  // Loop until all queues are empty
-  while ( 0 < queue->m_ready_count ) {
-
-    task_root_type * task = end ;
-
-    for ( int i = 0 ; i < tqs_queue_type::NumQueue && end == task ; ++i ) {
-      for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-        task = tqs_queue_type::pop_ready_task( & queue->m_ready[i][j] );
-      }
-    }
-
-    if ( end != task ) {
-
-      // pop_ready_task resulted in lock == task->m_next
-      // In the executing state
-
-      (*task->m_apply)( task , & exec );
-
-#if 0
-  printf( "TaskQueue<Serial>::executed: 0x%lx { 0x%lx 0x%lx %d %d %d }\n"
-        , uintptr_t(task)
-        , uintptr_t(task->m_wait)
-        , uintptr_t(task->m_next)
-        , task->m_task_type
-        , task->m_priority
-        , task->m_ref_count );
-#endif
-
-      // If a respawn then re-enqueue otherwise the task is complete
-      // and all tasks waiting on this task are updated.
-      queue->complete( task );
-    }
-    else if ( 0 != queue->m_ready_count ) {
-      Kokkos::abort("TaskQueue<Serial>::execute ERROR: ready_count");
-    }
-  }
-}
-
-void TaskQueueSpecialization< Kokkos::Serial > ::
-  iff_single_thread_recursive_execute(
-    TaskQueue< Kokkos::Serial > * const queue )
-{
-  using exec_space = Kokkos::Serial ;
-  using tqs_queue_type      = TaskQueue< exec_space > ;
-  using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< exec_space > ;
-
-  task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
-
-  Impl::HostThreadTeamData * const data = Impl::serial_get_thread_team_data();
-
-  Member exec( *data );
-
-  // Loop until no runnable task
-
-  task_root_type * task = end ;
-
-  do {
-
-    task = end ;
-
-    for ( int i = 0 ; i < tqs_queue_type::NumQueue && end == task ; ++i ) {
-      for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-        task = tqs_queue_type::pop_ready_task( & queue->m_ready[i][j] );
-      }
-    }
-
-    if ( end == task ) break ;
-
-    (*task->m_apply)( task , & exec );
-
-    queue->complete( task );
-
-  } while(1);
-}
+template class TaskQueue<Kokkos::Serial, typename Kokkos::Serial::memory_space>;
 
 }} /* namespace Kokkos::Impl */
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.hpp b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.hpp
index 2fec5dfb897bb4c4e86a3976076be44cfdf5371e..c379a12fb13be9e9e453c668aa701e11ecba0d1c 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.hpp
@@ -47,7 +47,11 @@
 #include <Kokkos_Macros.hpp>
 #if defined( KOKKOS_ENABLE_TASKDAG )
 
+#include <Kokkos_TaskScheduler_fwd.hpp>
+
 #include <impl/Kokkos_TaskQueue.hpp>
+#include <Kokkos_Serial.hpp>
+#include <impl/Kokkos_HostThreadTeam.hpp>
 
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
@@ -55,32 +59,217 @@
 namespace Kokkos {
 namespace Impl {
 
+template<class QueueType>
+class TaskQueueSpecialization<
+  SimpleTaskScheduler<Kokkos::Serial, QueueType>
+>
+{
+public:
+
+  // Note: Scheduler may be an incomplete type at class scope (but not inside
+  // of the methods, obviously)
+
+  using execution_space = Kokkos::Serial;
+  using memory_space = Kokkos::HostSpace;
+  using scheduler_type = SimpleTaskScheduler<Kokkos::Serial, QueueType>;
+  using member_type = TaskTeamMemberAdapter<
+    HostThreadTeamMember<Kokkos::Serial>, scheduler_type
+  >;
+
+  static
+  void execute(scheduler_type const& scheduler)
+  {
+    using task_base_type = typename scheduler_type::task_base_type;
+
+    // Set default buffers
+    serial_resize_thread_team_data(
+      0,   /* global reduce buffer */
+      512, /* team reduce buffer */
+      0,   /* team shared buffer */
+      0    /* thread local buffer */
+    );
+
+    Impl::HostThreadTeamData& self = *Impl::serial_get_thread_team_data();
+
+    auto& queue = scheduler.queue();
+    auto team_scheduler = scheduler.get_team_scheduler(0);
+
+    member_type member(scheduler, self);
+
+    auto current_task = OptionalRef<task_base_type>(nullptr);
+
+    while(not queue.is_done()) {
+
+      // Each team lead attempts to acquire either a thread team task
+      // or a single thread task for the team.
+
+      // pop a task off
+      current_task = queue.pop_ready_task(team_scheduler.team_scheduler_info());
+
+      // run the task
+      if(current_task) {
+        current_task->as_runnable_task().run(member);
+        // Respawns are handled in the complete function
+        queue.complete(
+          (*std::move(current_task)).as_runnable_task(),
+          team_scheduler.team_scheduler_info()
+        );
+      }
+
+    }
+
+  }
+
+  static constexpr uint32_t
+  get_max_team_count(execution_space const&) noexcept
+  {
+    return 1;
+  }
+
+  template <typename TaskType>
+  static void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  )
+  {
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
+};
+
 //----------------------------------------------------------------------------
 
-template<>
-class TaskQueueSpecialization< Kokkos::Serial >
+template<class Scheduler>
+class TaskQueueSpecializationConstrained<
+  Scheduler,
+  typename std::enable_if<
+    std::is_same<typename Scheduler::execution_space, Kokkos::Serial>::value
+  >::type
+>
 {
 public:
 
-  using execution_space = Kokkos::Serial ;
-  using memory_space    = Kokkos::HostSpace ;
-  using queue_type      = Kokkos::Impl::TaskQueue< execution_space > ;
-  using task_base_type  = Kokkos::Impl::TaskBase< void , void , void > ;
-  using member_type     = Kokkos::Impl::HostThreadTeamMember< execution_space > ;
+  // Note: Scheduler may be an incomplete type at class scope (but not inside
+  // of the methods, obviously)
 
-  static
-  void iff_single_thread_recursive_execute( queue_type * const );
+  using execution_space = Kokkos::Serial;
+  using memory_space = Kokkos::HostSpace;
+  using scheduler_type = Scheduler;
+  using member_type = TaskTeamMemberAdapter<
+    HostThreadTeamMember<Kokkos::Serial>, scheduler_type
+  >;
 
   static
-  void execute( queue_type * const );
+  void iff_single_thread_recursive_execute(scheduler_type const& scheduler) {
+    using task_base_type = TaskBase;
+    using queue_type = typename scheduler_type::queue_type;
+
+    task_base_type * const end = (task_base_type *) task_base_type::EndTag ;
+
+    Impl::HostThreadTeamData * const data = Impl::serial_get_thread_team_data();
+
+    member_type exec( scheduler, *data );
+
+    // Loop until no runnable task
+
+    task_base_type * task = end ;
+
+    auto* const queue = scheduler.m_queue;
+
+    do {
+
+      task = end ;
+
+      for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+        for ( int j = 0 ; j < 2 && end == task ; ++j ) {
+          task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
+        }
+      }
+
+      if ( end == task ) break ;
+
+      (*task->m_apply)( task , & exec );
+
+      queue->complete( task );
+
+    } while(1);
+
+  }
 
-  template< typename TaskType >
   static
-  typename TaskType::function_type
-  get_function_pointer() { return TaskType::apply ; }
+  void execute(scheduler_type const& scheduler)
+  {
+    using task_base_type = TaskBase;
+    using queue_type = typename scheduler_type::queue_type;
+
+    task_base_type * const end = (task_base_type *) task_base_type::EndTag ;
+
+    // Set default buffers
+    serial_resize_thread_team_data(
+      0,   /* global reduce buffer */
+      512, /* team reduce buffer */
+      0,   /* team shared buffer */
+      0    /* thread local buffer */
+    );
+
+    auto* const queue = scheduler.m_queue;
+
+    Impl::HostThreadTeamData * const data = Impl::serial_get_thread_team_data();
+
+    member_type exec( scheduler, *data );
+
+    // Loop until all queues are empty
+    while ( 0 < queue->m_ready_count ) {
+
+      task_base_type * task = end ;
+
+      for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+        for ( int j = 0 ; j < 2 && end == task ; ++j ) {
+          task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
+        }
+      }
+
+      if ( end != task ) {
+
+        // pop_ready_task resulted in lock == task->m_next
+        // In the executing state
+
+        (*task->m_apply)( task , & exec );
+
+#if 0
+        printf( "TaskQueue<Serial>::executed: 0x%lx { 0x%lx 0x%lx %d %d %d }\n"
+        , uintptr_t(task)
+        , uintptr_t(task->m_wait)
+        , uintptr_t(task->m_next)
+        , task->m_task_type
+        , task->m_priority
+        , task->m_ref_count );
+#endif
+
+        // If a respawn then re-enqueue otherwise the task is complete
+        // and all tasks waiting on this task are updated.
+        queue->complete( task );
+      }
+      else if ( 0 != queue->m_ready_count ) {
+        Kokkos::abort("TaskQueue<Serial>::execute ERROR: ready_count");
+      }
+    }
+  }
+
+  template <typename TaskType>
+  static void
+  get_function_pointer(
+    typename TaskType::function_type& ptr,
+    typename TaskType::destroy_type& dtor
+  )
+  {
+    ptr = TaskType::apply;
+    dtor = TaskType::destroy;
+  }
 };
 
-extern template class TaskQueue< Kokkos::Serial > ;
+extern template class TaskQueue< Kokkos::Serial, typename Kokkos::Serial::memory_space > ;
 
 }} /* namespace Kokkos::Impl */
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_SharedAlloc.cpp b/lib/kokkos/core/src/impl/Kokkos_SharedAlloc.cpp
index 658f1db06b7443be44282a2074ed8d1cd801db19..77eb69d0812620a5c5801b7500e145ecd810d215 100644
--- a/lib/kokkos/core/src/impl/Kokkos_SharedAlloc.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_SharedAlloc.cpp
@@ -48,11 +48,11 @@ namespace Impl {
 
 __thread int SharedAllocationRecord<void, void>::t_tracking_enabled = 1;
 
+#ifdef KOKKOS_DEBUG
 bool
 SharedAllocationRecord< void , void >::
 is_sane( SharedAllocationRecord< void , void > * arg_record )
 {
-#ifdef KOKKOS_DEBUG
   SharedAllocationRecord * const root = arg_record ? arg_record->m_root : 0 ;
 
   bool ok = root != 0 && root->use_count() == 0 ;
@@ -102,16 +102,23 @@ is_sane( SharedAllocationRecord< void , void > * arg_record )
     }
   }
   return ok ;
+}
+
 #else
+
+bool
+SharedAllocationRecord< void , void >::
+is_sane( SharedAllocationRecord< void , void > * )
+{
   Kokkos::Impl::throw_runtime_exception("Kokkos::Impl::SharedAllocationRecord::is_sane only works with KOKKOS_DEBUG enabled");
   return false ;
-#endif
 }
+#endif //#ifdef KOKKOS_DEBUG
 
+#ifdef KOKKOS_DEBUG
 SharedAllocationRecord<void,void> *
 SharedAllocationRecord<void,void>::find( SharedAllocationRecord<void,void> * const arg_root , void * const arg_data_ptr )
 {
-#ifdef KOKKOS_DEBUG
   SharedAllocationRecord * root_next = 0 ;
   static constexpr SharedAllocationRecord * zero = nullptr;
 
@@ -130,11 +137,15 @@ SharedAllocationRecord<void,void>::find( SharedAllocationRecord<void,void> * con
     Kokkos::Impl::throw_runtime_exception("Kokkos::Impl::SharedAllocationRecord failed locking/unlocking");
   }
   return r ;
+}
 #else
+SharedAllocationRecord<void,void> *
+SharedAllocationRecord<void,void>::find( SharedAllocationRecord<void,void> * const , void * const )
+{
   Kokkos::Impl::throw_runtime_exception("Kokkos::Impl::SharedAllocationRecord::find only works with KOKKOS_DEBUG enabled");
   return nullptr;
-#endif
 }
+#endif
 
 
 /**\brief  Construct and insert into 'arg_root' tracking set.
@@ -271,6 +282,7 @@ decrement( SharedAllocationRecord< void , void > * arg_record )
   return arg_record ;
 }
 
+#ifdef KOKKOS_DEBUG
 void
 SharedAllocationRecord< void , void >::
 print_host_accessible_records( std::ostream & s
@@ -278,7 +290,6 @@ print_host_accessible_records( std::ostream & s
                              , const SharedAllocationRecord * const root
                              , const bool detail )
 {
-#ifdef KOKKOS_DEBUG
   const SharedAllocationRecord< void , void > * r = root ;
 
   char buffer[256] ;
@@ -339,12 +350,20 @@ print_host_accessible_records( std::ostream & s
       r = r->m_next ;
     } while ( r != root );
   }
+}
 #else
+void
+SharedAllocationRecord< void , void >::
+print_host_accessible_records( std::ostream &
+                             , const char * const
+                             , const SharedAllocationRecord * const
+                             , const bool )
+{
   Kokkos::Impl::throw_runtime_exception(
       "Kokkos::Impl::SharedAllocationRecord::print_host_accessible_records"
       " only works with KOKKOS_DEBUG enabled");
-#endif
 }
+#endif
 
 } /* namespace Impl */
 } /* namespace Kokkos */
diff --git a/lib/kokkos/core/src/impl/Kokkos_SimpleTaskScheduler.hpp b/lib/kokkos/core/src/impl/Kokkos_SimpleTaskScheduler.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..c2dbc968146fe93ad6642b0eec81b92ebf97304b
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_SimpleTaskScheduler.hpp
@@ -0,0 +1,646 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_SIMPLETASKSCHEDULER_HPP
+#define KOKKOS_SIMPLETASKSCHEDULER_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_TaskScheduler_fwd.hpp>
+//----------------------------------------------------------------------------
+
+#include <Kokkos_MemoryPool.hpp>
+#include <impl/Kokkos_Tags.hpp>
+
+#include <Kokkos_Future.hpp>
+#include <impl/Kokkos_TaskQueue.hpp>
+#include <impl/Kokkos_SingleTaskQueue.hpp>
+#include <impl/Kokkos_MultipleTaskQueue.hpp>
+#include <impl/Kokkos_TaskQueueMultiple.hpp>
+#include <impl/Kokkos_TaskPolicyData.hpp>
+#include <impl/Kokkos_TaskTeamMember.hpp>
+#include <impl/Kokkos_EBO.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+namespace Impl {
+
+// TODO @tasking @cleanup move this
+template <class T>
+struct DefaultDestroy {
+  T* managed_object;
+  KOKKOS_FUNCTION
+  void destroy_shared_allocation() {
+    managed_object->~T();
+  }
+};
+
+
+template <class ExecutionSpace>
+class ExecutionSpaceInstanceStorage
+  : private NoUniqueAddressMemberEmulation<ExecutionSpace, DefaultCtorNotOnDevice>
+{
+private:
+
+  using base_t = NoUniqueAddressMemberEmulation<ExecutionSpace, DefaultCtorNotOnDevice>;
+
+protected:
+
+  constexpr explicit
+  ExecutionSpaceInstanceStorage()
+    : base_t()
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  ExecutionSpaceInstanceStorage(ExecutionSpace const& arg_execution_space)
+    : base_t(arg_execution_space)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  ExecutionSpaceInstanceStorage(ExecutionSpace&& arg_execution_space)
+    : base_t(std::move(arg_execution_space))
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  ExecutionSpace& execution_space_instance() &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ExecutionSpace const& execution_space_instance() const &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ExecutionSpace&& execution_space_instance() &&
+  {
+    return std::move(*this).no_unique_address_data_member();
+  }
+};
+
+
+template <class MemorySpace>
+class MemorySpaceInstanceStorage
+  : private NoUniqueAddressMemberEmulation<MemorySpace, DefaultCtorNotOnDevice>
+{
+private:
+
+  using base_t = NoUniqueAddressMemberEmulation<MemorySpace, DefaultCtorNotOnDevice>;
+
+protected:
+
+  MemorySpaceInstanceStorage()
+    : base_t()
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  MemorySpaceInstanceStorage(MemorySpace const& arg_memory_space)
+    : base_t(arg_memory_space)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  MemorySpaceInstanceStorage(MemorySpace&& arg_memory_space)
+    : base_t(arg_memory_space)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  MemorySpace& memory_space_instance() &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  MemorySpace const& memory_space_instance() const &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  MemorySpace&& memory_space_instance() &&
+  {
+    return std::move(*this).no_unique_address_data_member();
+  }
+};
+
+} // end namespace Impl
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <class ExecSpace, class QueueType>
+  // requires ExecutionSpace<ExecSpace> && TaskQueue<QueueType>
+class SimpleTaskScheduler
+  : public Impl::TaskSchedulerBase,
+    private Impl::ExecutionSpaceInstanceStorage<ExecSpace>,
+    private Impl::MemorySpaceInstanceStorage<typename QueueType::memory_space>,
+    private Impl::NoUniqueAddressMemberEmulation<typename QueueType::team_scheduler_info_type>
+{
+public:
+  // TODO @tasking @generalization (maybe?) don't force QueueType to be complete here
+
+  using scheduler_type = SimpleTaskScheduler; // tag as scheduler concept
+  using execution_space = ExecSpace;
+  using task_queue_type = QueueType;
+  using memory_space = typename task_queue_type::memory_space;
+  using memory_pool = typename task_queue_type::memory_pool;
+
+  using team_scheduler_info_type = typename task_queue_type::team_scheduler_info_type;
+  using task_scheduling_info_type = typename task_queue_type::task_scheduling_info_type;
+  using specialization = Impl::TaskQueueSpecialization<SimpleTaskScheduler>;
+  using member_type = typename specialization::member_type;
+
+  template <class Functor>
+  using runnable_task_type = typename QueueType::template runnable_task_type<Functor, SimpleTaskScheduler>;
+
+  using task_base_type = typename task_queue_type::task_base_type;
+  using runnable_task_base_type = typename task_queue_type::runnable_task_base_type;
+
+  using task_queue_traits = typename QueueType::task_queue_traits;
+
+  template <class ValueType>
+  using future_type = Kokkos::BasicFuture<ValueType, SimpleTaskScheduler>;
+  template <class FunctorType>
+  using future_type_for_functor = future_type<typename FunctorType::value_type>;
+
+private:
+
+  template <typename, typename>
+  friend class BasicFuture;
+
+  using track_type = Kokkos::Impl::SharedAllocationTracker;
+  using execution_space_storage = Impl::ExecutionSpaceInstanceStorage<execution_space>;
+  using memory_space_storage = Impl::MemorySpaceInstanceStorage<memory_space>;
+  using team_scheduler_info_storage = Impl::NoUniqueAddressMemberEmulation<team_scheduler_info_type>;
+
+  track_type m_track;
+  task_queue_type* m_queue = nullptr;
+
+  KOKKOS_INLINE_FUNCTION
+  static constexpr task_base_type* _get_task_ptr(std::nullptr_t) { return nullptr; }
+
+  template <class ValueType>
+  KOKKOS_INLINE_FUNCTION
+  static constexpr task_base_type* _get_task_ptr(future_type<ValueType>&& f)
+  {
+    return f.m_task;
+  }
+
+  template <
+    int TaskEnum,
+    class DepTaskType,
+    class FunctorType
+  >
+  KOKKOS_FUNCTION
+  future_type_for_functor<typename std::decay<FunctorType>::type>
+  _spawn_impl(
+    DepTaskType arg_predecessor_task,
+    TaskPriority arg_priority,
+    typename runnable_task_base_type::function_type apply_function_ptr,
+    typename runnable_task_base_type::destroy_type destroy_function_ptr,
+    FunctorType&& functor
+  )
+  {
+    KOKKOS_EXPECTS(m_queue != nullptr);
+
+    using functor_future_type = future_type_for_functor<typename std::decay<FunctorType>::type>;
+    using task_type = typename task_queue_type::template runnable_task_type<
+      FunctorType, scheduler_type
+    >;
+
+    // Reference count starts at two:
+    //   +1 for the matching decrement when task is complete
+    //   +1 for the future
+    auto& runnable_task = *m_queue->template allocate_and_construct<task_type>(
+      /* functor = */ std::forward<FunctorType>(functor),
+      /* apply_function_ptr = */ apply_function_ptr,
+      /* task_type = */ static_cast<Impl::TaskType>(TaskEnum),
+      /* priority = */ arg_priority,
+      /* queue_base = */ m_queue,
+      /* initial_reference_count = */ 2
+    );
+
+    if(arg_predecessor_task != nullptr) {
+      m_queue->initialize_scheduling_info_from_predecessor(
+        runnable_task, *arg_predecessor_task
+      );
+      runnable_task.set_predecessor(*arg_predecessor_task);
+      arg_predecessor_task->decrement_and_check_reference_count();
+    }
+    else {
+      m_queue->initialize_scheduling_info_from_team_scheduler_info(
+        runnable_task, team_scheduler_info()
+      );
+    }
+
+    auto rv = functor_future_type(&runnable_task);
+
+    Kokkos::memory_fence(); // fence to ensure dependent stores are visible
+
+    m_queue->schedule_runnable(
+      std::move(runnable_task),
+      team_scheduler_info()
+    );
+    // note that task may be already completed even here, so don't touch it again
+
+    return rv;
+  }
+
+
+public:
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Constructors, destructor, and assignment"> {{{2
+
+  SimpleTaskScheduler() = default;
+
+  explicit
+  SimpleTaskScheduler(
+    execution_space const& arg_execution_space,
+    memory_space const& arg_memory_space,
+    memory_pool const& arg_memory_pool
+  ) : execution_space_storage(arg_execution_space),
+      memory_space_storage(arg_memory_space)
+  {
+    // Ask the task queue how much space it needs (usually will just be
+    // sizeof(task_queue_type), but some queues may need additional storage
+    // dependent on runtime conditions or properties of the execution space)
+    auto const allocation_size = task_queue_type::task_queue_allocation_size(
+      arg_execution_space,
+      arg_memory_space,
+      arg_memory_pool
+    );
+
+    // TODO @tasking @generalization DSH better encapsulation of the SharedAllocationRecord pattern
+    using record_type = Impl::SharedAllocationRecord<
+      memory_space, Impl::DefaultDestroy<task_queue_type>
+    >;
+
+    // Allocate space for the task queue
+    auto* record = record_type::allocate(
+      memory_space(), "TaskQueue", allocation_size
+    );
+    m_queue = new (record->data()) task_queue_type(
+      arg_execution_space,
+      arg_memory_space,
+      arg_memory_pool
+    );
+    record->m_destroy.managed_object = m_queue;
+    m_track.assign_allocated_record_to_uninitialized(record);
+  }
+
+  explicit
+  SimpleTaskScheduler(
+    execution_space const& arg_execution_space,
+    memory_pool const& pool
+  ) : SimpleTaskScheduler(arg_execution_space, memory_space{}, pool)
+  { /* forwarding ctor, must be empty */ }
+
+  explicit
+  SimpleTaskScheduler(memory_pool const& pool)
+    : SimpleTaskScheduler(execution_space{}, memory_space{}, pool)
+  { /* forwarding ctor, must be empty */ }
+
+  SimpleTaskScheduler(
+    memory_space const & arg_memory_space,
+    size_t const mempool_capacity,
+    unsigned const mempool_min_block_size, // = 1u << 6
+    unsigned const mempool_max_block_size, // = 1u << 10
+    unsigned const mempool_superblock_size // = 1u << 12
+  ) : SimpleTaskScheduler(
+        execution_space{},
+        arg_memory_space,
+        memory_pool(
+          arg_memory_space, mempool_capacity, mempool_min_block_size,
+          mempool_max_block_size, mempool_superblock_size
+        )
+      )
+  { /* forwarding ctor, must be empty */ }
+
+  // </editor-fold> end Constructors, destructor, and assignment }}}2
+  //----------------------------------------------------------------------------
+
+  // Note that this is an expression of shallow constness
+  KOKKOS_INLINE_FUNCTION
+  task_queue_type& queue() const
+  {
+    KOKKOS_EXPECTS(m_queue != nullptr);
+    return *m_queue;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  SimpleTaskScheduler
+  get_team_scheduler(int rank_in_league) const noexcept
+  {
+    KOKKOS_EXPECTS(m_queue != nullptr);
+    auto rv = SimpleTaskScheduler{ *this };
+    rv.team_scheduler_info() = m_queue->initial_team_scheduler_info(rank_in_league);
+    return rv;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  execution_space const& get_execution_space() const { return this->execution_space_instance(); }
+
+  KOKKOS_INLINE_FUNCTION
+  team_scheduler_info_type& team_scheduler_info() &
+  {
+    return this->team_scheduler_info_storage::no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  team_scheduler_info_type const& team_scheduler_info() const &
+  {
+    return this->team_scheduler_info_storage::no_unique_address_data_member();
+  }
+
+  //----------------------------------------------------------------------------
+
+  #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+  // For backwards compatibility purposes only
+  KOKKOS_DEPRECATED
+  KOKKOS_INLINE_FUNCTION
+  memory_pool*
+  memory() const noexcept KOKKOS_DEPRECATED_TRAILING_ATTRIBUTE
+  {
+    if(m_queue != nullptr) return &(m_queue->get_memory_pool());
+    else return nullptr;
+  }
+  #endif
+
+  //----------------------------------------------------------------------------
+
+  template <int TaskEnum, typename DepFutureType, typename FunctorType>
+  KOKKOS_FUNCTION
+  static
+  Kokkos::BasicFuture<typename FunctorType::value_type, scheduler_type>
+  spawn(
+    Impl::TaskPolicyWithScheduler<TaskEnum, scheduler_type, DepFutureType>&& arg_policy,
+    typename runnable_task_base_type::function_type arg_function,
+    typename runnable_task_base_type::destroy_type arg_destroy,
+    FunctorType&& arg_functor
+  )
+  {
+    return std::move(arg_policy.scheduler()).template _spawn_impl<TaskEnum>(
+      _get_task_ptr(std::move(arg_policy.predecessor())),
+      arg_policy.priority(),
+      arg_function,
+      arg_destroy,
+      std::forward<FunctorType>(arg_functor)
+    );
+  }
+
+  template <int TaskEnum, typename DepFutureType, typename FunctorType>
+  KOKKOS_FUNCTION
+  Kokkos::BasicFuture<typename FunctorType::value_type, scheduler_type>
+  spawn(
+    Impl::TaskPolicyWithPredecessor<TaskEnum, DepFutureType>&& arg_policy,
+    FunctorType&& arg_functor
+  )
+  {
+    static_assert(
+      std::is_same<typename DepFutureType::scheduler_type, scheduler_type>::value,
+      "Can't create a task policy from a scheduler and a future from a different scheduler"
+    );
+
+    using task_type = runnable_task_type<FunctorType>;
+    typename task_type::function_type const ptr = task_type::apply;
+    typename task_type::destroy_type const dtor = task_type::destroy;
+
+    return _spawn_impl<TaskEnum>(
+      std::move(arg_policy).predecessor().m_task,
+      arg_policy.priority(),
+      ptr, dtor,
+      std::forward<FunctorType>(arg_functor)
+    );
+  }
+
+  template <class FunctorType, class ValueType, class Scheduler>
+  KOKKOS_FUNCTION
+  static void
+  respawn(
+    FunctorType* functor,
+    BasicFuture<ValueType, Scheduler> const& predecessor,
+    TaskPriority priority = TaskPriority::Regular
+  ) {
+    using task_type = typename task_queue_type::template runnable_task_type<
+      FunctorType, scheduler_type
+    >;
+
+    auto& task = *static_cast<task_type*>(functor);
+
+    KOKKOS_EXPECTS(!task.get_respawn_flag());
+
+    task.set_priority(priority);
+    task.set_predecessor(*predecessor.m_task);
+    task.set_respawn_flag(true);
+  }
+
+  template <class FunctorType>
+  KOKKOS_FUNCTION
+  static void
+  respawn(
+    FunctorType* functor,
+    scheduler_type const&,
+    TaskPriority priority = TaskPriority::Regular
+  ) {
+    using task_type = typename task_queue_type::template runnable_task_type<
+      FunctorType, scheduler_type
+    >;
+
+    auto& task = *static_cast<task_type*>(functor);
+
+    KOKKOS_EXPECTS(!task.get_respawn_flag());
+
+    task.set_priority(priority);
+    KOKKOS_ASSERT(not task.has_predecessor());
+    task.set_respawn_flag(true);
+  }
+
+
+  template <class ValueType>
+  KOKKOS_FUNCTION
+  future_type<void>
+  when_all(BasicFuture<ValueType, scheduler_type> const predecessors[], int n_predecessors) {
+
+    // TODO @tasking @generalization DSH propagate scheduling info
+
+    using task_type = typename task_queue_type::aggregate_task_type;
+
+    future_type<void> rv;
+
+    if(n_predecessors > 0) {
+      task_queue_type* queue_ptr = nullptr;
+
+      // Loop over the predecessors to find the queue and increment the reference
+      // counts
+      for(int i_pred = 0; i_pred < n_predecessors; ++i_pred) {
+
+        auto* predecessor_task_ptr = predecessors[i_pred].m_task;
+
+        if(predecessor_task_ptr != nullptr) {
+          // TODO @tasking @cleanup DSH figure out when this is allowed to be nullptr (if at all anymore)
+
+          // Increment reference count to track subsequent assignment.
+          // TODO @tasking @optimization DSH figure out if this reference count increment is necessary
+          predecessor_task_ptr->increment_reference_count();
+
+          // TODO @tasking @cleanup DSH we should just set a boolean here instead to make this more readable
+          queue_ptr = m_queue;
+        }
+
+      } // end loop over predecessors
+
+      // This only represents a non-ready future if at least one of the predecessors
+      // has a task (and thus, a queue)
+      if(queue_ptr != nullptr) {
+        auto& q = *queue_ptr;
+
+        auto* aggregate_task_ptr = q.template allocate_and_construct_with_vla_emulation<
+          task_type, task_base_type*
+        >(
+          /* n_vla_entries = */ n_predecessors,
+          /* aggregate_predecessor_count = */ n_predecessors,
+          /* queue_base = */ &q,
+          /* initial_reference_count = */ 2
+        );
+
+        rv = future_type<void>(aggregate_task_ptr);
+
+        for(int i_pred = 0; i_pred < n_predecessors; ++i_pred) {
+          aggregate_task_ptr->vla_value_at(i_pred) = predecessors[i_pred].m_task;
+        }
+
+        Kokkos::memory_fence(); // we're touching very questionable memory, so be sure to fence
+
+        q.schedule_aggregate(std::move(*aggregate_task_ptr), team_scheduler_info());
+        // the aggregate may be processed at any time, so don't touch it after this
+      }
+    }
+
+    return rv;
+  }
+
+  template <class F>
+  KOKKOS_FUNCTION
+  future_type<void>
+  when_all(int n_calls, F&& func)
+  {
+    // TODO @tasking @generalization DSH propagate scheduling info?
+
+    // later this should be std::invoke_result_t
+    using generated_type = decltype(func(0));
+    using task_type = typename task_queue_type::aggregate_task_type;
+
+    static_assert(
+      is_future<generated_type>::value,
+      "when_all function must return a Kokkos future (an instance of Kokkos::BasicFuture)"
+    );
+    static_assert(
+      std::is_base_of<scheduler_type, typename generated_type::scheduler_type>::value,
+      "when_all function must return a Kokkos::BasicFuture of a compatible scheduler type"
+    );
+
+    auto* aggregate_task = m_queue->template allocate_and_construct_with_vla_emulation<
+      task_type, task_base_type*
+    >(
+      /* n_vla_entries = */ n_calls,
+      /* aggregate_predecessor_count = */ n_calls,
+      /* queue_base = */ m_queue,
+      /* initial_reference_count = */ 2
+    );
+
+    auto rv = future_type<void>(aggregate_task);
+
+    for(int i_call = 0; i_call < n_calls; ++i_call) {
+
+      auto generated_future = func(i_call);
+
+      if(generated_future.m_task != nullptr) {
+        generated_future.m_task->increment_reference_count();
+        aggregate_task->vla_value_at(i_call) = generated_future.m_task;
+
+        KOKKOS_ASSERT(m_queue == generated_future.m_task->ready_queue_base_ptr()
+          && "Queue mismatch in when_all"
+        );
+      }
+
+    }
+
+    Kokkos::memory_fence();
+
+    m_queue->schedule_aggregate(std::move(*aggregate_task), team_scheduler_info());
+    // This could complete at any moment, so don't touch anything after this
+
+    return rv;
+  }
+
+};
+
+
+template<class ExecSpace, class QueueType>
+inline
+void wait(SimpleTaskScheduler<ExecSpace, QueueType> const& scheduler)
+{
+  using scheduler_type = SimpleTaskScheduler<ExecSpace, QueueType>;
+  scheduler_type::specialization::execute(scheduler);
+}
+
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//---------------------------------------------------------------------------#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_SIMPLETASKSCHEDULER_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_SingleTaskQueue.hpp b/lib/kokkos/core/src/impl/Kokkos_SingleTaskQueue.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..d73028eb5b9da77a3a3cc46c6f327327299d1239
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_SingleTaskQueue.hpp
@@ -0,0 +1,207 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_SINGLETASKQUEUE_HPP
+#define KOKKOS_IMPL_SINGLETASKQUEUE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_MemoryPool.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+
+#include <impl/Kokkos_TaskQueueMemoryManager.hpp>
+#include <impl/Kokkos_TaskQueueCommon.hpp>
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_LIFO.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+template <
+  class ExecSpace,
+  class MemorySpace,
+  class TaskQueueTraits,
+  class MemoryPool
+>
+class SingleTaskQueue
+  : public TaskQueueMemoryManager<ExecSpace, MemorySpace, MemoryPool>,
+    public TaskQueueCommonMixin<SingleTaskQueue<ExecSpace, MemorySpace, TaskQueueTraits, MemoryPool>>
+{
+private:
+
+  using base_t = TaskQueueMemoryManager<ExecSpace, MemorySpace, MemoryPool>;
+  using common_mixin_t = TaskQueueCommonMixin<SingleTaskQueue>;
+
+  struct EmptyTeamSchedulerInfo { };
+  struct EmptyTaskSchedulingInfo { };
+
+public:
+
+  using task_queue_type = SingleTaskQueue; // mark as task_queue concept
+  using task_queue_traits = TaskQueueTraits;
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using ready_queue_type = typename TaskQueueTraits::template ready_queue_type<task_base_type>;
+
+  using team_scheduler_info_type = EmptyTeamSchedulerInfo;
+  using task_scheduling_info_type = EmptyTaskSchedulingInfo;
+
+  using runnable_task_base_type = RunnableTaskBase<TaskQueueTraits>;
+
+  template <class Functor, class Scheduler>
+    // requires TaskScheduler<Scheduler> && TaskFunctor<Functor>
+  using runnable_task_type = RunnableTask<
+    task_queue_traits, Scheduler, typename Functor::value_type, Functor
+  >;
+
+  using aggregate_task_type = AggregateTask<task_queue_traits, task_scheduling_info_type>;
+
+  // Number of allowed priorities
+  static constexpr int NumQueue = 3;
+
+private:
+
+  ready_queue_type m_ready_queues[NumQueue][2];
+
+public:
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Constructors, destructors, and assignment"> {{{2
+
+  SingleTaskQueue() = delete;
+  SingleTaskQueue(SingleTaskQueue const&) = delete;
+  SingleTaskQueue(SingleTaskQueue&&) = delete;
+  SingleTaskQueue& operator=(SingleTaskQueue const&) = delete;
+  SingleTaskQueue& operator=(SingleTaskQueue&&) = delete;
+
+  explicit
+  SingleTaskQueue(
+    typename base_t::execution_space const&,
+    typename base_t::memory_space const&,
+    typename base_t::memory_pool const& arg_memory_pool
+  )
+    : base_t(arg_memory_pool)
+  { }
+
+  ~SingleTaskQueue() {
+    for(int i_priority = 0; i_priority < NumQueue; ++i_priority) {
+      KOKKOS_EXPECTS(m_ready_queues[i_priority][TaskTeam].empty());
+      KOKKOS_EXPECTS(m_ready_queues[i_priority][TaskSingle].empty());
+    }
+  }
+
+  // </editor-fold> end Constructors, destructors, and assignment }}}2
+  //----------------------------------------------------------------------------
+
+  KOKKOS_FUNCTION
+  void
+  schedule_runnable(
+    runnable_task_base_type&& task,
+    team_scheduler_info_type const& info
+  ) {
+    this->schedule_runnable_to_queue(
+      std::move(task),
+      m_ready_queues[int(task.get_priority())][int(task.get_task_type())],
+      info
+    );
+    // Task may be enqueued and may be run at any point; don't touch it (hence
+    // the use of move semantics)
+  }
+
+  KOKKOS_FUNCTION
+  OptionalRef<task_base_type>
+  pop_ready_task(
+    team_scheduler_info_type const& info
+  )
+  {
+    OptionalRef<task_base_type> return_value;
+    // always loop in order of priority first, then prefer team tasks over single tasks
+    for(int i_priority = 0; i_priority < NumQueue; ++i_priority) {
+
+      // Check for a team task with this priority
+      return_value = m_ready_queues[i_priority][TaskTeam].pop();
+      if(return_value) return return_value;
+
+      // Check for a single task with this priority
+      return_value = m_ready_queues[i_priority][TaskSingle].pop();
+      if(return_value) return return_value;
+
+    }
+    // if nothing was found, return a default-constructed (empty) OptionalRef
+    return return_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr team_scheduler_info_type
+  initial_team_scheduler_info(int) const noexcept { return { }; }
+
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_SINGLETASKQUEUE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskBase.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskBase.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..b0c06fb26eb9e82ab365ef9afe676d6c1fd3c388
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskBase.hpp
@@ -0,0 +1,329 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_TASKBASE_HPP
+#define KOKKOS_IMPL_TASKBASE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <impl/Kokkos_LIFO.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+/** \brief  Base class for task management, access, and execution.
+ *
+ *  Inheritance structure to allow static_cast from the task root type
+ *  and a task's FunctorType.
+ *
+ *    // Enable a functor to access the base class
+ *    // and provide memory for result value.
+ *    TaskBase< Space , ResultType , FunctorType >
+ *      : TaskBase< void , void , void >
+ *      , FunctorType
+ *      { ... };
+ *    Followed by memory allocated for result value.
+ *
+ *
+ *  States of a task:
+ *
+ *    Constructing State, NOT IN a linked list
+ *      m_wait == 0
+ *      m_next == 0
+ *
+ *    Scheduling transition : Constructing -> Waiting
+ *      before:
+ *        m_wait == 0
+ *        m_next == this task's initial dependence, 0 if none
+ *      after:
+ *        m_wait == EndTag
+ *        m_next == EndTag
+ *
+ *    Waiting State, IN a linked list
+ *      m_apply != 0
+ *      m_queue != 0
+ *      m_ref_count > 0
+ *      m_wait == head of linked list of tasks waiting on this task
+ *      m_next == next of linked list of tasks
+ *
+ *    transition : Waiting -> Executing
+ *      before:
+ *        m_next == EndTag
+ *      after::
+ *        m_next == LockTag
+ *
+ *    Executing State, NOT IN a linked list
+ *      m_apply != 0
+ *      m_queue != 0
+ *      m_ref_count > 0
+ *      m_wait == head of linked list of tasks waiting on this task
+ *      m_next == LockTag
+ *
+ *    Respawn transition : Executing -> Executing-Respawn
+ *      before:
+ *        m_next == LockTag
+ *      after:
+ *        m_next == this task's updated dependence, 0 if none
+ *
+ *    Executing-Respawn State, NOT IN a linked list
+ *      m_apply != 0
+ *      m_queue != 0
+ *      m_ref_count > 0
+ *      m_wait == head of linked list of tasks waiting on this task
+ *      m_next == this task's updated dependence, 0 if none
+ *
+ *    transition : Executing -> Complete
+ *      before:
+ *        m_wait == head of linked list
+ *      after:
+ *        m_wait == LockTag
+ *
+ *    Complete State, NOT IN a linked list
+ *      m_wait == LockTag: cannot add dependence (<=> complete)
+ *      m_next == LockTag: not a member of a wait queue
+ *
+ */
+class TaskBase
+{
+public:
+
+  enum : int16_t   { TaskTeam = 0 , TaskSingle = 1 , Aggregate = 2 };
+  enum : uintptr_t { LockTag = ~uintptr_t(0) , EndTag = ~uintptr_t(1) };
+
+  template<typename, typename> friend class Kokkos::BasicTaskScheduler ;
+
+  using queue_type = TaskQueueBase;
+
+  using function_type = void(*)( TaskBase * , void * );
+  typedef void (* destroy_type) ( TaskBase * );
+
+  // sizeof(TaskBase) == 48
+
+  function_type m_apply = nullptr;         ///< Apply function pointer
+  queue_type* m_queue = nullptr;          ///< Pointer to the scheduler
+  TaskBase* m_next = nullptr; ///< next in linked list of ready tasks
+  TaskBase* m_wait = nullptr; ///< Queue of tasks waiting on this
+  int32_t m_ref_count = 0;
+  int32_t m_alloc_size = 0;
+  int32_t m_dep_count ;                    ///< Aggregate's number of dependences
+  int16_t        m_task_type ;   ///< Type of task
+  int16_t        m_priority ;    ///< Priority of runnable task
+
+  TaskBase( TaskBase && ) = delete ;
+  TaskBase( const TaskBase & ) = delete ;
+  TaskBase & operator = ( TaskBase && ) = delete ;
+  TaskBase & operator = ( const TaskBase & ) = delete ;
+
+#ifdef KOKKOS_CUDA_9_DEFAULTED_BUG_WORKAROUND
+  KOKKOS_INLINE_FUNCTION ~TaskBase() {};
+#else
+  KOKKOS_INLINE_FUNCTION ~TaskBase() = default;
+#endif
+
+  KOKKOS_INLINE_FUNCTION constexpr
+  TaskBase()
+    : m_apply( nullptr )
+    , m_queue( nullptr )
+    , m_next( nullptr )
+    , m_wait( nullptr )
+    , m_ref_count( 0 )
+    , m_alloc_size( 0 )
+    , m_dep_count( 0 )
+    , m_task_type( 0 )
+    , m_priority( 0 )
+    {}
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  TaskBase * volatile * aggregate_dependences() volatile
+    { return reinterpret_cast<TaskBase*volatile*>( this + 1 ); }
+
+  KOKKOS_INLINE_FUNCTION
+  bool requested_respawn()
+    {
+      // This should only be called when a task has finished executing and is
+      // in the transition to either the complete or executing-respawn state.
+      TaskBase * const lock = reinterpret_cast< TaskBase * >( LockTag );
+      return lock != m_next;
+    }
+
+  KOKKOS_INLINE_FUNCTION
+  void add_dependence( TaskBase* dep )
+    {
+      // Precondition: lock == m_next
+
+      TaskBase * const lock = (TaskBase *) LockTag ;
+
+      // Assign dependence to m_next.  It will be processed in the subsequent
+      // call to schedule.  Error if the dependence is reset.
+      if ( lock != Kokkos::atomic_exchange( & m_next, dep ) ) {
+        Kokkos::abort("TaskScheduler ERROR: resetting task dependence");
+      }
+
+      if ( 0 != dep ) {
+        // The future may be destroyed upon returning from this call
+        // so increment reference count to track this assignment.
+        Kokkos::atomic_increment( &(dep->m_ref_count) );
+      }
+    }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  int32_t reference_count() const
+    { return *((int32_t volatile *)( & m_ref_count )); }
+
+};
+
+static_assert( sizeof(TaskBase) == 48
+             , "Verifying expected sizeof(TaskBase)" );
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template< class Scheduler, typename ResultType , class FunctorType >
+class Task
+  : public TaskBase,
+    public FunctorType
+{
+public:
+
+  Task() = delete ;
+  Task( Task && ) = delete ;
+  Task( const Task & ) = delete ;
+  Task & operator = ( Task && ) = delete ;
+  Task & operator = ( const Task & ) = delete ;
+
+
+  using root_type = TaskBase;
+  using functor_type = FunctorType ;
+  using result_type = ResultType ;
+
+  using specialization = TaskQueueSpecialization<Scheduler> ;
+  using member_type = typename specialization::member_type ;
+
+  KOKKOS_INLINE_FUNCTION
+  void apply_functor( member_type * const member , void * )
+    { this->functor_type::operator()( *member ); }
+
+  template< typename T >
+  KOKKOS_INLINE_FUNCTION
+  void apply_functor( member_type * const member
+                    , T           * const result )
+    { this->functor_type::operator()( *member , *result ); }
+
+  KOKKOS_FUNCTION static
+  void destroy( root_type * root )
+  {
+    TaskResult<result_type>::destroy(root);
+  }
+
+  KOKKOS_FUNCTION static
+  void apply( root_type * root , void * exec )
+    {
+      Task* const task = static_cast< Task * >( root );
+      member_type * const member = reinterpret_cast< member_type * >( exec );
+      result_type * const result = TaskResult< result_type >::ptr( task );
+
+      // Task may be serial or team.
+      // If team then must synchronize before querying if respawn was requested.
+      // If team then only one thread calls destructor.
+
+      const bool only_one_thread =
+#if defined(KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_CUDA)
+        0 == threadIdx.x && 0 == threadIdx.y ;
+#else
+        0 == member->team_rank();
+#endif
+
+      task->apply_functor( member , result );
+
+      member->team_barrier();
+
+      if ( only_one_thread && !(task->requested_respawn()) ) {
+        // Did not respawn, destroy the functor to free memory.
+        task->functor_type::~functor_type();
+        // Cannot destroy and deallocate the task until its dependences
+        // have been processed.
+      }
+    }
+
+  // Constructor for runnable task
+  KOKKOS_INLINE_FUNCTION constexpr
+  Task( FunctorType && arg_functor )
+    : root_type() , functor_type( std::move(arg_functor) )
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  ~Task() = delete;
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKBASE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskNode.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskNode.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..35f8853f1fee7c74c0f446ec1bd5e15eb77982d9
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskNode.hpp
@@ -0,0 +1,758 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_TASKNODE_HPP
+#define KOKKOS_IMPL_TASKNODE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_PointerOwnership.hpp>
+
+#include <impl/Kokkos_VLAEmulation.hpp>
+#include <impl/Kokkos_LIFO.hpp>
+#include <impl/Kokkos_ChaseLev.hpp>
+#include <impl/Kokkos_EBO.hpp>
+#include <Kokkos_Concepts.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+enum TaskType : int16_t   { TaskTeam = 0 , TaskSingle = 1 , Aggregate = 2, TaskSpecial = -1 };
+
+//==============================================================================
+
+/** Intrusive base class for things allocated with a Kokkos::MemoryPool
+ *
+ *  @warning Memory pools assume that the address of this class is the same
+ *           as the address of the most derived type that was allocated to
+ *           have the given size.  As a consequence, when interacting with
+ *           multiple inheritance, this must always be the first base class
+ *           of any derived class that uses it!
+ *  @todo Consider inverting inheritance structure to avoid this problem?
+ *
+ *  @tparam CountType type of integer used to store the allocation size
+ */
+template <class CountType = int32_t>
+class alignas(void*) PoolAllocatedObjectBase {
+public:
+
+  using pool_allocation_size_type = CountType;
+
+private:
+
+  pool_allocation_size_type m_alloc_size;
+
+public:
+
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit PoolAllocatedObjectBase(pool_allocation_size_type allocation_size)
+    : m_alloc_size(allocation_size)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  CountType get_allocation_size() const noexcept { return m_alloc_size; }
+
+};
+
+//==============================================================================
+
+
+// TODO @tasking @cleanup DSH move this?
+template <class CountType = int32_t>
+class ReferenceCountedBase {
+public:
+
+  using reference_count_size_type = CountType;
+
+private:
+
+  reference_count_size_type m_ref_count = 0;
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  ReferenceCountedBase(reference_count_size_type initial_reference_count)
+    : m_ref_count(initial_reference_count)
+  {
+    // This can't be here because it breaks constexpr
+    // KOKKOS_EXPECTS(initial_reference_count > 0);
+  }
+
+  /** Decrement the reference count,
+   *  and return true iff this decrement caused
+   *  the reference count to become zero
+   */
+  KOKKOS_INLINE_FUNCTION
+  bool decrement_and_check_reference_count()
+  {
+    // TODO @tasking @memory_order DSH memory order
+    auto old_count = Kokkos::atomic_fetch_add(&m_ref_count, -1);
+
+    KOKKOS_ASSERT(old_count > 0 && "reference count greater less than zero!");
+
+    return (old_count == 1);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void increment_reference_count()
+  {
+    Kokkos::atomic_increment(&m_ref_count);
+  }
+
+};
+
+template <class TaskQueueTraits, class SchedulingInfo>
+class AggregateTask;
+
+template <class TaskQueueTraits>
+class RunnableTaskBase;
+
+//==============================================================================
+
+template <class TaskQueueTraits>
+class TaskNode
+  : public PoolAllocatedObjectBase<int32_t>, // size 4, must be first!
+    public ReferenceCountedBase<int32_t>, // size 4
+    public TaskQueueTraits::template intrusive_task_base_type<TaskNode<TaskQueueTraits>> // size 8+
+{
+public:
+
+  using priority_type = int16_t;
+
+private:
+
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using pool_allocated_base_type = PoolAllocatedObjectBase<int32_t>;
+  using reference_counted_base_type = ReferenceCountedBase<int32_t>;
+  using task_queue_traits = TaskQueueTraits;
+  using waiting_queue_type =
+    typename task_queue_traits::template waiting_queue_type<TaskNode>;
+
+  waiting_queue_type m_wait_queue; // size 8+
+
+  // TODO @tasking @cleanup DSH eliminate this, or make its purpose a bit more clear.  It's only used in BasicFuture, and only for deallocation purposes
+  TaskQueueBase* m_ready_queue_base;
+
+  TaskType m_task_type;  // size 2
+  priority_type m_priority; // size 2
+  bool m_is_respawning = false;
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr
+  TaskNode(
+    TaskType task_type,
+    TaskPriority priority,
+    TaskQueueBase* queue_base,
+    reference_count_size_type initial_reference_count,
+    pool_allocation_size_type allocation_size
+  ) : pool_allocated_base_type(
+        /* allocation_size = */ allocation_size
+      ),
+      reference_counted_base_type(
+        /* initial_reference_count = */ initial_reference_count
+      ),
+      m_wait_queue(),
+      m_ready_queue_base(queue_base),
+      m_task_type(task_type),
+      m_priority(static_cast<priority_type>(priority)),
+      m_is_respawning(false)
+  { }
+
+  TaskNode() = delete;
+  TaskNode(TaskNode const&) = delete;
+  TaskNode(TaskNode&&) = delete;
+  TaskNode& operator=(TaskNode const&) = delete;
+  TaskNode& operator=(TaskNode&&) = delete;
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_aggregate() const noexcept { return m_task_type == TaskType::Aggregate; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_runnable() const noexcept { return m_task_type != TaskType::Aggregate; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_runnable() const volatile noexcept { return m_task_type != TaskType::Aggregate; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_single_runnable() const noexcept { return m_task_type == TaskType::TaskSingle; }
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_team_runnable() const noexcept { return m_task_type == TaskType::TaskTeam; }
+
+  KOKKOS_INLINE_FUNCTION
+  TaskType get_task_type() const noexcept { return m_task_type; }
+
+  KOKKOS_INLINE_FUNCTION
+  RunnableTaskBase<TaskQueueTraits>&
+  as_runnable_task() & {
+    KOKKOS_EXPECTS(this->is_runnable());
+    return static_cast<RunnableTaskBase<TaskQueueTraits>&>(*this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  RunnableTaskBase<TaskQueueTraits> const&
+  as_runnable_task() const & {
+    KOKKOS_EXPECTS(this->is_runnable());
+    return static_cast<RunnableTaskBase<TaskQueueTraits> const&>(*this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  RunnableTaskBase<TaskQueueTraits> volatile&
+  as_runnable_task() volatile & {
+    KOKKOS_EXPECTS(this->is_runnable());
+    return static_cast<RunnableTaskBase<TaskQueueTraits> volatile&>(*this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  RunnableTaskBase<TaskQueueTraits> const volatile&
+  as_runnable_task() const volatile & {
+    KOKKOS_EXPECTS(this->is_runnable());
+    return static_cast<RunnableTaskBase<TaskQueueTraits> const volatile&>(*this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  RunnableTaskBase<TaskQueueTraits>&&
+  as_runnable_task() && {
+    KOKKOS_EXPECTS(this->is_runnable());
+    return static_cast<RunnableTaskBase<TaskQueueTraits>&&>(*this);
+  }
+
+  template <class SchedulingInfo>
+  KOKKOS_INLINE_FUNCTION
+  AggregateTask<TaskQueueTraits, SchedulingInfo>&
+  as_aggregate() & {
+    KOKKOS_EXPECTS(this->is_aggregate());
+    return static_cast<AggregateTask<TaskQueueTraits, SchedulingInfo>&>(*this);
+  }
+
+  template <class SchedulingInfo>
+  KOKKOS_INLINE_FUNCTION
+  AggregateTask<TaskQueueTraits, SchedulingInfo> const&
+  as_aggregate() const & {
+    KOKKOS_EXPECTS(this->is_aggregate());
+    return static_cast<AggregateTask<TaskQueueTraits, SchedulingInfo> const&>(*this);
+  }
+
+  template <class SchedulingInfo>
+  KOKKOS_INLINE_FUNCTION
+  AggregateTask<TaskQueueTraits, SchedulingInfo>&&
+  as_aggregate() && {
+    KOKKOS_EXPECTS(this->is_aggregate());
+    return static_cast<AggregateTask<TaskQueueTraits, SchedulingInfo>&&>(*this);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool try_add_waiting(task_base_type& depends_on_this) {
+    return m_wait_queue.try_push(depends_on_this);
+  }
+
+  template <class Function>
+  KOKKOS_INLINE_FUNCTION
+  void consume_wait_queue(Function&& f) {
+    KOKKOS_EXPECTS(not m_wait_queue.is_consumed());
+    m_wait_queue.consume(std::forward<Function>(f));
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool wait_queue_is_consumed() const noexcept {
+    // TODO @tasking @memory_order DSH memory order
+    return m_wait_queue.is_consumed();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  TaskQueueBase*
+  ready_queue_base_ptr() const noexcept {
+    return m_ready_queue_base;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void set_priority(TaskPriority priority) noexcept {
+    KOKKOS_EXPECTS(!this->is_enqueued());
+    m_priority = (priority_type)priority;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void set_priority(TaskPriority priority) volatile noexcept {
+    KOKKOS_EXPECTS(!this->is_enqueued());
+    m_priority = (priority_type)priority;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPriority get_priority() const noexcept {
+    return (TaskPriority)m_priority;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool get_respawn_flag() const { return m_is_respawning; }
+
+  KOKKOS_INLINE_FUNCTION
+  void set_respawn_flag(bool value = true) {
+    m_is_respawning = value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void set_respawn_flag(bool value = true) volatile {
+    m_is_respawning = value;
+  }
+
+};
+
+//==============================================================================
+
+template <class BaseClass, class SchedulingInfo>
+class SchedulingInfoStorage;
+
+//==============================================================================
+
+template <class BaseType, class SchedulingInfo>
+class SchedulingInfoStorage
+  : public BaseType, // must be first base class for allocation reasons!!!
+    private NoUniqueAddressMemberEmulation<SchedulingInfo>
+{
+
+private:
+
+  using base_t = BaseType;
+  using task_scheduling_info_type = SchedulingInfo;
+
+public:
+
+  using base_t::base_t;
+
+  KOKKOS_INLINE_FUNCTION
+  task_scheduling_info_type& scheduling_info() &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  task_scheduling_info_type const& scheduling_info() const &
+  {
+    return this->no_unique_address_data_member();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  task_scheduling_info_type&& scheduling_info() &&
+  {
+    return std::move(*this).no_unique_address_data_member();
+  }
+
+};
+
+
+//==============================================================================
+
+template <class TaskQueueTraits, class SchedulingInfo>
+class alignas(16) AggregateTask final
+  : public SchedulingInfoStorage<
+      TaskNode<TaskQueueTraits>,
+      SchedulingInfo
+    >, // must be first base class for allocation reasons!!!
+    public ObjectWithVLAEmulation<
+      AggregateTask<TaskQueueTraits, SchedulingInfo>,
+      OwningRawPtr<TaskNode<TaskQueueTraits>>
+    >
+{
+private:
+
+  using base_t = SchedulingInfoStorage<
+    TaskNode<TaskQueueTraits>,
+    SchedulingInfo
+  >;
+  using vla_base_t = ObjectWithVLAEmulation<
+    AggregateTask<TaskQueueTraits, SchedulingInfo>,
+    OwningRawPtr<TaskNode<TaskQueueTraits>>
+  >;
+
+  using task_base_type = TaskNode<TaskQueueTraits>;
+
+public:
+
+  using aggregate_task_type = AggregateTask; // concept marker
+
+  template <class... Args>
+    // requires std::is_constructible_v<base_t, Args&&...>
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  AggregateTask(
+    int32_t aggregate_predecessor_count,
+    Args&&... args
+  ) : base_t(
+        TaskType::Aggregate,
+        TaskPriority::Regular, // all aggregates are regular priority
+        std::forward<Args>(args)...
+      ),
+      vla_base_t(aggregate_predecessor_count)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  int32_t dependence_count() const { return this->n_vla_entries(); }
+
+};
+
+//KOKKOS_IMPL_IS_CONCEPT(aggregate_task);
+
+//==============================================================================
+
+
+template <class TaskQueueTraits>
+class RunnableTaskBase
+  : public TaskNode<TaskQueueTraits> // must be first base class for allocation reasons!!!
+{
+private:
+
+  using base_t = TaskNode<TaskQueueTraits>;
+
+public:
+
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using function_type = void(*)( task_base_type * , void * );
+  using destroy_type = void(*)( task_base_type * );
+  using runnable_task_type = RunnableTaskBase;
+
+private:
+
+  function_type m_apply;
+  task_base_type* m_predecessor = nullptr;
+
+public:
+
+  template <class... Args>
+    // requires std::is_constructible_v<base_t, Args&&...>
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  RunnableTaskBase(
+    function_type apply_function_ptr,
+    Args&&... args
+  ) : base_t(std::forward<Args>(args)...),
+      m_apply(apply_function_ptr)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  bool has_predecessor() const { return m_predecessor != nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  void clear_predecessor() { m_predecessor = nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  void clear_predecessor() volatile { m_predecessor = nullptr; }
+
+  template <class SchedulingInfo>
+  KOKKOS_INLINE_FUNCTION
+  SchedulingInfo&
+  scheduling_info_as()
+  {
+    using info_storage_type = SchedulingInfoStorage<RunnableTaskBase, SchedulingInfo>;
+
+    return static_cast<info_storage_type*>(this)->scheduling_info();
+  }
+
+  template <class SchedulingInfo>
+  KOKKOS_INLINE_FUNCTION
+  SchedulingInfo const&
+  scheduling_info_as() const
+  {
+    using info_storage_type = SchedulingInfoStorage<RunnableTaskBase, SchedulingInfo>;
+
+    return static_cast<info_storage_type const*>(this)->scheduling_info();
+  }
+
+
+  KOKKOS_INLINE_FUNCTION
+  task_base_type& get_predecessor() const {
+    KOKKOS_EXPECTS(m_predecessor != nullptr);
+    return *m_predecessor;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void set_predecessor(task_base_type& predecessor)
+  {
+    KOKKOS_EXPECTS(m_predecessor == nullptr);
+    // Increment the reference count so that predecessor doesn't go away
+    // before this task is enqueued.
+    // (should be memory order acquire)
+    predecessor.increment_reference_count();
+    m_predecessor = &predecessor;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void acquire_predecessor_from(runnable_task_type& other)
+  {
+    KOKKOS_EXPECTS(m_predecessor == nullptr || other.m_predecessor == m_predecessor);
+    // since we're transfering, no need to modify the reference count
+    m_predecessor = other.m_predecessor;
+    other.m_predecessor = nullptr;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void acquire_predecessor_from(runnable_task_type& other) volatile
+  {
+    KOKKOS_EXPECTS(m_predecessor == nullptr || other.m_predecessor == m_predecessor);
+    // since we're transfering, no need to modify the reference count
+    m_predecessor = other.m_predecessor;
+    other.m_predecessor = nullptr;
+  }
+
+  template <class TeamMember>
+  KOKKOS_INLINE_FUNCTION
+  void run(TeamMember& member) {
+    (*m_apply)(this, &member);
+  }
+};
+
+//KOKKOS_IMPL_IS_CONCEPT(runnable_task);
+
+//==============================================================================
+
+template <class ResultType, class Base>
+class TaskResultStorage : public Base
+{
+private:
+
+  using base_t = Base;
+
+  alignas(Base) ResultType m_value = ResultType{};
+
+
+public:
+
+  using base_t::base_t;
+
+  KOKKOS_INLINE_FUNCTION
+  ResultType* value_pointer() {
+    // Over-alignment makes this a non-standard-layout class,
+    // so alignas() doesn't work
+    //static_assert(
+    //  offsetof(TaskResultStorage, m_value) == sizeof(Base),
+    //  "TaskResultStorage must be POD for layout purposes"
+    //);
+    return &m_value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ResultType& value_reference() { return m_value; }
+
+};
+
+
+// TODO @tasking @optimization DSH optimization for empty types (in addition to void)
+template <class Base>
+class TaskResultStorage<void, Base> : public Base
+{
+private:
+
+  using base_t = Base;
+
+public:
+
+  using base_t::base_t;
+
+  KOKKOS_INLINE_FUNCTION
+  void* value_pointer() noexcept { return nullptr; }
+
+  KOKKOS_INLINE_FUNCTION
+  void value_reference() noexcept { }
+
+};
+
+//==============================================================================
+
+template <
+  class TaskQueueTraits,
+  class Scheduler,
+  class ResultType,
+  class FunctorType
+>
+class alignas(16) RunnableTask
+  : // using nesting of base classes to control layout; multiple empty base classes
+    // may not be ABI compatible with CUDA on Windows
+    public TaskResultStorage<
+      ResultType,
+      SchedulingInfoStorage<
+        RunnableTaskBase<TaskQueueTraits>,
+        typename Scheduler::task_queue_type::task_scheduling_info_type
+      >
+    >, // must be first base class
+    public FunctorType
+{
+private:
+  using base_t = TaskResultStorage<
+    ResultType,
+    SchedulingInfoStorage<
+      RunnableTaskBase<TaskQueueTraits>,
+      typename Scheduler::task_queue_type::task_scheduling_info_type
+    >
+  >;
+
+  using runnable_task_base_type = RunnableTaskBase<TaskQueueTraits>;
+  using scheduler_type = Scheduler;
+  using scheduling_info_type =
+      typename scheduler_type::task_scheduling_info_type;
+  using scheduling_info_storage_base = base_t;
+
+  using task_base_type = TaskNode<TaskQueueTraits>;
+  using specialization = TaskQueueSpecialization<scheduler_type>;
+  using member_type = typename specialization::member_type;
+  using result_type = ResultType;
+  using functor_type = FunctorType;
+
+public:
+
+  template <class... Args>
+    // requires std::is_constructible_v<base_t, Args&&...>
+  KOKKOS_INLINE_FUNCTION
+  constexpr explicit
+  RunnableTask(
+    FunctorType&& functor,
+    Args&&... args
+  ) : base_t(
+        std::forward<Args>(args)...
+      ),
+      functor_type(std::move(functor))
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  ~RunnableTask() = delete;
+
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info(
+    member_type& member
+  ) {
+    // TODO @tasking @generalization DSH call a queue-specific hook here; for now, this info is already updated elsewhere
+    // this->scheduling_info() = member.scheduler().scheduling_info();
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void apply_functor(member_type* member, void*)
+  {
+    update_scheduling_info(*member);
+    this->functor_type::operator()(*member);
+  }
+
+  template <typename T>
+  KOKKOS_INLINE_FUNCTION
+  void apply_functor(member_type* member, T* val)
+  {
+    update_scheduling_info(*member);
+    //this->functor_type::operator()(*member, *val);
+    this->functor_type::operator()(*member, *val);
+  }
+
+  KOKKOS_FUNCTION static
+  void destroy( task_base_type * root )
+  {
+    //TaskResult<result_type>::destroy(root);
+  }
+
+  KOKKOS_FUNCTION static
+  void apply(task_base_type* self, void* member_as_void)
+  {
+    using task_type = Impl::RunnableTask<TaskQueueTraits, Scheduler, ResultType, FunctorType>*;
+    auto* const task = static_cast<task_type>(self);
+    auto* const member = reinterpret_cast<member_type*>(member_as_void);
+
+    // Now that we're over-aligning the result storage, this isn't a problem any more
+    //static_assert(std::is_standard_layout<task_type>::value,
+    //  "Tasks must be standard layout"
+    //);
+    //static_assert(std::is_pod<task_type>::value,
+    //  "Tasks must be PODs"
+    //);
+
+    // Task may be serial or team.
+    // If team then must synchronize before querying if respawn was requested.
+    // If team then only one thread calls destructor.
+
+    const bool only_one_thread =
+#if defined(KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_CUDA)
+      0 == threadIdx.x && 0 == threadIdx.y ;
+#else
+      0 == member->team_rank();
+#endif
+
+    // Ensure that the respawn flag is set to zero
+    self->set_respawn_flag(false);
+
+    //task->apply_functor(member, TaskResult<result_type>::ptr(task));
+    task->apply_functor(member, task->value_pointer());
+
+    member->team_barrier();
+
+    if ( only_one_thread && !(task->get_respawn_flag()) ) {
+      // Did not respawn, destroy the functor to free memory.
+      task->functor_type::~functor_type();
+      // Cannot destroy and deallocate the task until its dependences
+      // have been processed.
+    }
+  }
+
+};
+
+} /* namespace Impl */
+
+
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKNODE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskPolicyData.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskPolicyData.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..85e665fffc169af03b20f17f214dce6c96daaf02
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskPolicyData.hpp
@@ -0,0 +1,195 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_TASKPOLICYDATA_HPP
+#define KOKKOS_IMPL_TASKPOLICYDATA_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_TaskScheduler_fwd.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+//----------------------------------------------------------------------------
+
+template<int TaskEnum, typename DepFutureType>
+struct TaskPolicyWithPredecessor
+{
+private:
+
+  DepFutureType m_predecessor;
+  Kokkos::TaskPriority m_priority;
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithPredecessor(
+    DepFutureType arg_predecessor,
+    Kokkos::TaskPriority arg_priority
+  ) : m_predecessor(std::move(arg_predecessor)),
+      m_priority(arg_priority)
+  { }
+
+  TaskPolicyWithPredecessor() = delete;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithPredecessor(TaskPolicyWithPredecessor const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithPredecessor(TaskPolicyWithPredecessor&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithPredecessor& operator=(TaskPolicyWithPredecessor const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithPredecessor& operator=(TaskPolicyWithPredecessor&&) = default;
+  
+  KOKKOS_INLINE_FUNCTION
+  ~TaskPolicyWithPredecessor() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  DepFutureType&& predecessor() && {
+    return std::move(m_predecessor);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr TaskPriority priority() const { return m_priority; }
+
+  KOKKOS_INLINE_FUNCTION
+  static constexpr int task_type() noexcept { return TaskEnum; }
+
+};
+
+// TODO @tasking @cleanup DSH clean this up. Using nullptr_t here is too clever
+template<int TaskEnum, typename Scheduler, typename PredecessorFuture=std::nullptr_t>
+struct TaskPolicyWithScheduler
+{
+public:
+
+  using predecessor_future_type = PredecessorFuture;
+
+private:
+
+  Scheduler m_scheduler;
+  Kokkos::TaskPriority m_priority;
+  predecessor_future_type m_predecessor;
+
+public:
+
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler(
+    Scheduler arg_scheduler,
+    Kokkos::TaskPriority arg_priority
+  ) : m_scheduler(std::move(arg_scheduler)),
+      m_priority(arg_priority)
+  { }
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler(
+    Scheduler arg_scheduler,
+    predecessor_future_type arg_predecessor,
+    Kokkos::TaskPriority arg_priority
+  ) : m_scheduler(std::move(arg_scheduler)),
+      m_priority(arg_priority),
+      m_predecessor(std::move(arg_predecessor))
+  { }
+
+  TaskPolicyWithScheduler() = delete;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler(TaskPolicyWithScheduler const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler(TaskPolicyWithScheduler&&) = default;
+ 
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler& operator=(TaskPolicyWithScheduler const&) = default;
+  
+  KOKKOS_INLINE_FUNCTION
+  TaskPolicyWithScheduler& operator=(TaskPolicyWithScheduler&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  ~TaskPolicyWithScheduler() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  Scheduler& scheduler() & {
+    return m_scheduler;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr TaskPriority priority() const { return m_priority; }
+
+  KOKKOS_INLINE_FUNCTION
+  predecessor_future_type& predecessor() & {
+    return m_predecessor;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  static constexpr bool has_predecessor() noexcept
+  {
+    return not std::is_same<PredecessorFuture, std::nullptr_t>::value;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  static constexpr int task_type() noexcept { return TaskEnum; }
+
+};
+
+} // namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKPOLICYDATA_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueue.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueue.hpp
index eacf0837faff8f75e1880e7a715f37628089c9b3..1adcfe4cc4ca3215636af44d390049dafdc7b67d 100644
--- a/lib/kokkos/core/src/impl/Kokkos_TaskQueue.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueue.hpp
@@ -49,240 +49,24 @@
 #include <Kokkos_Macros.hpp>
 #if defined( KOKKOS_ENABLE_TASKDAG )
 
-#include <string>
-#include <typeinfo>
-#include <stdexcept>
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-namespace Impl {
-
-template< class Space , typename ResultType , class FunctorType >
-class TaskBase ;
-
-template< typename Space >
-class TaskQueue ;
-
-template< typename Space >
-class TaskQueueSpecialization ;
-
-} /* namespace Impl */
-} /* namespace Kokkos */
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-namespace Impl {
-
-/** \brief  Base class for task management, access, and execution.
- *
- *  Inheritance structure to allow static_cast from the task root type
- *  and a task's FunctorType.
- *
- *    // Enable a functor to access the base class
- *    // and provide memory for result value.
- *    TaskBase< Space , ResultType , FunctorType >
- *      : TaskBase< void , void , void >
- *      , FunctorType
- *      { ... };
- *    Followed by memory allocated for result value.
- *
- *
- *  States of a task:
- *
- *    Constructing State, NOT IN a linked list
- *      m_wait == 0
- *      m_next == 0
- *
- *    Scheduling transition : Constructing -> Waiting
- *      before:
- *        m_wait == 0
- *        m_next == this task's initial dependence, 0 if none
- *      after:
- *        m_wait == EndTag
- *        m_next == EndTag
- *
- *    Waiting State, IN a linked list
- *      m_apply != 0
- *      m_queue != 0
- *      m_ref_count > 0
- *      m_wait == head of linked list of tasks waiting on this task
- *      m_next == next of linked list of tasks
- *
- *    transition : Waiting -> Executing
- *      before:
- *        m_next == EndTag
- *      after::
- *        m_next == LockTag
- *
- *    Executing State, NOT IN a linked list
- *      m_apply != 0
- *      m_queue != 0
- *      m_ref_count > 0
- *      m_wait == head of linked list of tasks waiting on this task
- *      m_next == LockTag
- *
- *    Respawn transition : Executing -> Executing-Respawn
- *      before:
- *        m_next == LockTag
- *      after:
- *        m_next == this task's updated dependence, 0 if none
- *
- *    Executing-Respawn State, NOT IN a linked list
- *      m_apply != 0
- *      m_queue != 0
- *      m_ref_count > 0
- *      m_wait == head of linked list of tasks waiting on this task
- *      m_next == this task's updated dependence, 0 if none
- *
- *    transition : Executing -> Complete
- *      before:
- *        m_wait == head of linked list
- *      after:
- *        m_wait == LockTag
- *
- *    Complete State, NOT IN a linked list
- *      m_wait == LockTag: cannot add dependence (<=> complete)
- *      m_next == LockTag: not a member of a wait queue
- *
- */
-template<>
-class TaskBase< void , void , void >
-{
-public:
-
-  enum : int16_t   { TaskTeam = 0 , TaskSingle = 1 , Aggregate = 2 };
-  enum : uintptr_t { LockTag = ~uintptr_t(0) , EndTag = ~uintptr_t(1) };
-
-  template< typename > friend class Kokkos::TaskScheduler ;
-
-  typedef TaskQueue< void > queue_type ;
-
-  typedef void (* function_type) ( TaskBase * , void * );
 
-  // sizeof(TaskBase) == 48
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
 
-  function_type  m_apply ;       ///< Apply function pointer
-  queue_type   * m_queue ;       ///< Pointer to queue
-  TaskBase     * m_wait ;        ///< Linked list of tasks waiting on this
-  TaskBase     * m_next ;        ///< Waiting linked-list next
-  int32_t        m_ref_count ;   ///< Reference count
-  int32_t        m_alloc_size ;  ///< Allocation size
-  int32_t        m_dep_count ;   ///< Aggregate's number of dependences
-  int16_t        m_task_type ;   ///< Type of task
-  int16_t        m_priority ;    ///< Priority of runnable task
-
-  TaskBase( TaskBase && ) = delete ;
-  TaskBase( const TaskBase & ) = delete ;
-  TaskBase & operator = ( TaskBase && ) = delete ;
-  TaskBase & operator = ( const TaskBase & ) = delete ;
-
-#ifdef KOKKOS_CUDA_9_DEFAULTED_BUG_WORKAROUND
-  KOKKOS_INLINE_FUNCTION ~TaskBase() {};
-#else
-  KOKKOS_INLINE_FUNCTION ~TaskBase() = default;
-#endif
-
-  KOKKOS_INLINE_FUNCTION constexpr
-  TaskBase()
-    : m_apply(      0 )
-    , m_queue(      0 )
-    , m_wait(       0 )
-    , m_next(       0 )
-    , m_ref_count(  0 )
-    , m_alloc_size( 0 )
-    , m_dep_count(  0 )
-    , m_task_type(  0 )
-    , m_priority(   0 )
-    {}
-
-  //----------------------------------------
-
-  KOKKOS_INLINE_FUNCTION
-  TaskBase * volatile * aggregate_dependences() volatile
-    { return reinterpret_cast<TaskBase*volatile*>( this + 1 ); }
+#include <Kokkos_MemoryPool.hpp>
 
-  KOKKOS_INLINE_FUNCTION
-  bool requested_respawn()
-    {
-      // This should only be called when a task has finished executing and is
-      // in the transition to either the complete or executing-respawn state.
-      TaskBase * const lock = reinterpret_cast< TaskBase * >( LockTag );
-      return lock != m_next;
-    }
-
-  KOKKOS_INLINE_FUNCTION
-  void add_dependence( TaskBase* dep )
-    {
-      // Precondition: lock == m_next
-
-      TaskBase * const lock = (TaskBase *) LockTag ;
-
-      // Assign dependence to m_next.  It will be processed in the subsequent
-      // call to schedule.  Error if the dependence is reset.
-      if ( lock != Kokkos::atomic_exchange( & m_next, dep ) ) {
-        Kokkos::abort("TaskScheduler ERROR: resetting task dependence");
-      }
-
-      if ( 0 != dep ) {
-        // The future may be destroyed upon returning from this call
-        // so increment reference count to track this assignment.
-        Kokkos::atomic_increment( &(dep->m_ref_count) );
-      }
-    }
-
-  //----------------------------------------
-
-  KOKKOS_INLINE_FUNCTION
-  int32_t reference_count() const
-    { return *((int32_t volatile *)( & m_ref_count )); }
-
-};
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
 
-static_assert( sizeof(TaskBase<void,void,void>) == 48
-             , "Verifying expected sizeof(TaskBase<void,void,void>)" );
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_LIFO.hpp>
 
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-template< typename ResultType >
-struct TaskResult {
-
-  enum : int32_t { size = sizeof(ResultType) };
-
-  using reference_type = ResultType & ;
-
-  KOKKOS_INLINE_FUNCTION static
-  ResultType * ptr( TaskBase<void,void,void> * task )
-    {
-      return reinterpret_cast< ResultType * >
-        ( reinterpret_cast< char * >(task) + task->m_alloc_size - sizeof(ResultType) );
-    }
-
-  KOKKOS_INLINE_FUNCTION static
-  reference_type get( TaskBase<void,void,void> * task )
-    { return *ptr( task ); }
-};
-
-template<>
-struct TaskResult< void > {
-
-  enum : int32_t { size = 0 };
-
-  using reference_type = void ;
-
-  KOKKOS_INLINE_FUNCTION static
-  void * ptr( TaskBase<void,void,void> * ) { return (void*) 0 ; }
-
-  KOKKOS_INLINE_FUNCTION static
-  reference_type get( TaskBase<void,void,void> * ) {}
-};
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
 
-} /* namespace Impl */
-} /* namespace Kokkos */
 
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
@@ -290,27 +74,29 @@ struct TaskResult< void > {
 namespace Kokkos {
 namespace Impl {
 
-template<>
-class TaskQueue< void > {};
 
 /** \brief  Manage task allocation, deallocation, and scheduling.
  *
  *  Task execution is deferred to the TaskQueueSpecialization.
  *  All other aspects of task management have shared implementation.
  */
-template< typename ExecSpace >
-class TaskQueue : public TaskQueue<void> {
-private:
-
-  friend class TaskQueueSpecialization< ExecSpace > ;
-  friend class Kokkos::TaskScheduler< ExecSpace > ;
-
-  using execution_space = ExecSpace ;
-  using specialization  = TaskQueueSpecialization< execution_space > ;
-  using memory_space    = typename specialization::memory_space ;
-  using device_type     = Kokkos::Device< execution_space , memory_space > ;
-  using memory_pool     = Kokkos::MemoryPool< device_type > ;
-  using task_root_type  = Kokkos::Impl::TaskBase<void,void,void> ;
+template< typename ExecSpace, typename MemorySpace >
+class TaskQueue : public TaskQueueBase {
+protected:
+
+  template <class>
+  friend struct TaskQueueSpecialization;
+  template <class, class>
+  friend class TaskQueueSpecializationConstrained;
+  template <class, class>
+  friend class Kokkos::BasicTaskScheduler;
+
+  using execution_space = ExecSpace;
+  using memory_space = MemorySpace;
+  using device_type = Kokkos::Device< execution_space , memory_space > ;
+  using memory_pool = Kokkos::MemoryPool< device_type > ;
+  using task_root_type = Kokkos::Impl::TaskBase;
+  using team_queue_type = TaskQueue;
 
   struct Destroy {
     TaskQueue * m_queue ;
@@ -325,8 +111,8 @@ private:
 
   memory_pool               m_memory ;
   task_root_type * volatile m_ready[ NumQueue ][ 2 ];
-  long                      m_accum_alloc ; // Accumulated number of allocations
-  int                       m_count_alloc ; // Current number of allocations
+  //long                      m_accum_alloc ; // Accumulated number of allocations
+  int                       m_count_alloc = 0 ; // Current number of allocations
   int                       m_max_alloc ;   // Maximum number of allocations
   int                       m_ready_count ; // Number of ready or executing
 
@@ -347,8 +133,8 @@ private:
   //     task->m_next is the dependence or zero
   //   Postcondition:
   //     task->m_next is linked list membership
-  KOKKOS_FUNCTION void schedule_runnable(  task_root_type * const );
-  KOKKOS_FUNCTION void schedule_aggregate( task_root_type * const );
+  KOKKOS_FUNCTION void schedule_runnable(task_root_type*);
+  KOKKOS_FUNCTION void schedule_aggregate(task_root_type*);
 
   // Reschedule a task
   //   Precondition:
@@ -381,23 +167,29 @@ private:
   KOKKOS_FUNCTION static
   void decrement( task_root_type * task );
 
+
 public:
 
-  // If and only if the execution space is a single thread
-  // then execute ready tasks.
   KOKKOS_INLINE_FUNCTION
-  void iff_single_thread_recursive_execute()
-    {
-#if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
-      specialization::iff_single_thread_recursive_execute( this );
-#endif
-    }
+  int allocation_count() const noexcept { return m_count_alloc; }
+
+
+  KOKKOS_INLINE_FUNCTION
+  void initialize_team_queues(int pool_size) const noexcept { }
+
+  KOKKOS_INLINE_FUNCTION
+  task_root_type* attempt_to_steal_task() const noexcept { return nullptr; }
 
-  void execute() { specialization::execute( this ); }
+  KOKKOS_INLINE_FUNCTION
+  team_queue_type& get_team_queue(int team_rank) { return *this; }
+
+  //void execute() { specialization::execute( this ); }
 
   template< typename FunctorType >
   void proc_set_apply( typename task_root_type::function_type * ptr )
     {
+      using specialization =
+        TaskQueueSpecialization<BasicTaskScheduler<ExecSpace, TaskQueue>>;
       specialization::template proc_set_apply< FunctorType >( ptr );
     }
 
@@ -451,9 +243,7 @@ public:
     {
       using value_type = typename FunctorType::value_type ;
 
-      using task_type = Impl::TaskBase< execution_space
-                                      , value_type
-                                      , FunctorType > ;
+      using task_type = Impl::Task<execution_space, value_type, FunctorType> ;
 
       enum : size_t { align = ( 1 << 4 ) , align_mask = align - 1 };
       enum : size_t { task_size   = sizeof(task_type) };
@@ -480,86 +270,6 @@ public:
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
-namespace Kokkos {
-namespace Impl {
-
-template< class ExecSpace , typename ResultType , class FunctorType >
-class TaskBase
-  : public TaskBase< void , void , void >
-  , public FunctorType
-{
-private:
-
-  TaskBase() = delete ;
-  TaskBase( TaskBase && ) = delete ;
-  TaskBase( const TaskBase & ) = delete ;
-  TaskBase & operator = ( TaskBase && ) = delete ;
-  TaskBase & operator = ( const TaskBase & ) = delete ;
-
-public:
-
-  using root_type       = TaskBase< void , void , void > ;
-  using functor_type    = FunctorType ;
-  using result_type     = ResultType ;
-
-  using specialization  = TaskQueueSpecialization< ExecSpace > ;
-  using member_type     = typename specialization::member_type ;
-
-  KOKKOS_INLINE_FUNCTION
-  void apply_functor( member_type * const member , void * )
-    { functor_type::operator()( *member ); }
-
-  template< typename T >
-  KOKKOS_INLINE_FUNCTION
-  void apply_functor( member_type * const member
-                    , T           * const result )
-    { functor_type::operator()( *member , *result ); }
-
-  KOKKOS_FUNCTION static
-  void apply( root_type * root , void * exec )
-    {
-      TaskBase    * const task   = static_cast< TaskBase * >( root );
-      member_type * const member = reinterpret_cast< member_type * >( exec );
-      result_type * const result = TaskResult< result_type >::ptr( task );
-
-      // Task may be serial or team.
-      // If team then must synchronize before querying if respawn was requested.
-      // If team then only one thread calls destructor.
-
-      const bool only_one_thread =
-#if defined(KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_CUDA)
-        0 == threadIdx.x && 0 == threadIdx.y ;
-#else
-        0 == member->team_rank();
-#endif
-
-      task->apply_functor( member , result );
-
-      member->team_barrier();
-
-      if ( only_one_thread && !(task->requested_respawn()) ) {
-        // Did not respawn, destroy the functor to free memory.
-        static_cast<functor_type*>(task)->~functor_type();
-        // Cannot destroy and deallocate the task until its dependences
-        // have been processed.
-      }
-    }
-
-  // Constructor for runnable task
-  KOKKOS_INLINE_FUNCTION constexpr
-  TaskBase( FunctorType && arg_functor )
-    : root_type() , functor_type( arg_functor ) {}
-
-  KOKKOS_INLINE_FUNCTION
-  ~TaskBase() {}
-};
-
-} /* namespace Impl */
-} /* namespace Kokkos */
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
 #endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
 #endif /* #ifndef KOKKOS_IMPL_TASKQUEUE_HPP */
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueueCommon.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueueCommon.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..b0685506d45b846e69de62721aee1131cb46edfd
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueueCommon.hpp
@@ -0,0 +1,569 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_TASKQUEUECOMMON_HPP
+#define KOKKOS_IMPL_TASKQUEUECOMMON_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_MemoryPool.hpp>
+
+#include <impl/Kokkos_TaskNode.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+
+#include <impl/Kokkos_TaskQueueMemoryManager.hpp>
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_LIFO.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+/// @brief CRTP Base class implementing the ready count parts common to most task queues
+template <class Derived>
+class TaskQueueCommonMixin
+{
+private:
+
+  int32_t m_ready_count = 0;
+
+  // CRTP boilerplate
+  KOKKOS_INLINE_FUNCTION
+  Derived& _self() { return *static_cast<Derived*>(this); }
+
+public:
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Constructors, destructor, and assignment"> {{{2
+
+  TaskQueueCommonMixin()
+    : m_ready_count(0)
+  {
+    // TODO @tasking @memory_order DSH figure out if I need this store to be atomic
+  }
+
+  ~TaskQueueCommonMixin() {
+    KOKKOS_EXPECTS((Kokkos::memory_fence(), m_ready_count < 1));
+    KOKKOS_EXPECTS(m_ready_count == 0);
+  }
+
+  // </editor-fold> end Constructors, destructor, and assignment }}}2
+  //----------------------------------------------------------------------------
+
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Task and queue completion"> {{{2
+
+private:
+
+  // This would be more readable with a lambda, but that comes with
+  // all the baggage associated with a lambda (compilation times, bugs with
+  // nvcc, etc.), so we'll use a simple little helper functor here.
+  template <class TaskQueueTraits, class TeamSchedulerInfo>
+  struct _schedule_waiting_tasks_operation {
+    TaskNode<TaskQueueTraits> const& m_predecessor;
+    Derived& m_queue;
+    TeamSchedulerInfo const& m_info;
+    KOKKOS_INLINE_FUNCTION
+    void operator()(TaskNode<TaskQueueTraits>&& task) const noexcept
+      // requires Same<TaskType, Derived::task_base_type>
+    {
+      using task_scheduling_info_type = typename Derived::task_scheduling_info_type;
+      if(task.is_runnable()) // KOKKOS_LIKELY
+      {
+        // TODO @tasking @optimiazation DSH check this outside of the loop ?
+        if(m_predecessor.is_runnable()) {
+          m_queue.update_scheduling_info_from_completed_predecessor(
+            /* ready_task = */ task.as_runnable_task(),
+            /* predecessor = */ m_predecessor.as_runnable_task()
+          );
+        }
+        else {
+          KOKKOS_ASSERT(m_predecessor.is_aggregate());
+          m_queue.update_scheduling_info_from_completed_predecessor(
+            /* ready_task = */ task.as_runnable_task(),
+            /* predecessor = */ m_predecessor.template as_aggregate<task_scheduling_info_type>()
+          );
+        }
+        m_queue.schedule_runnable(
+          std::move(task).as_runnable_task(),
+          m_info
+        );
+      }
+      else {
+        // The scheduling info update happens inside of schedule_aggregate
+        m_queue.schedule_aggregate(
+          std::move(task).template as_aggregate<task_scheduling_info_type>(),
+          m_info
+        );
+      }
+    }
+  };
+
+protected:
+
+  template <class TaskQueueTraits, class TeamSchedulerInfo>
+  KOKKOS_FUNCTION
+  void _complete_finished_task(
+    TaskNode<TaskQueueTraits>&& task,
+    TeamSchedulerInfo const& info
+  ) {
+    task.consume_wait_queue(
+      _schedule_waiting_tasks_operation<TaskQueueTraits, TeamSchedulerInfo>{
+        task,
+        _self(),
+        info
+      }
+    );
+    bool should_delete = task.decrement_and_check_reference_count();
+    if(should_delete) {
+      _self().deallocate(std::move(task));
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void _increment_ready_count() {
+    // TODO @tasking @memory_order DSH memory order
+    Kokkos::atomic_increment(&this->m_ready_count);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void _decrement_ready_count() {
+    // TODO @tasking @memory_order DSH memory order
+    Kokkos::atomic_decrement(&this->m_ready_count);
+    Kokkos::memory_fence();
+  }
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  bool is_done() const noexcept {
+    // TODO @tasking @memory_order DSH Memory order, instead of volatile
+    return (*(volatile int*)(&m_ready_count)) == 0;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  int32_t ready_count() const noexcept {
+    // TODO @tasking @memory_order DSH Memory order, instead of volatile
+    return (*(volatile int*)(&m_ready_count));
+  }
+
+  template <class TaskQueueTraits, class TeamSchedulerInfo>
+  KOKKOS_FUNCTION
+  void
+  complete(
+    RunnableTaskBase<TaskQueueTraits>&& task,
+    TeamSchedulerInfo const& info
+  )
+  {
+    if(task.get_respawn_flag()) {
+      _self().schedule_runnable(std::move(task), info);
+    }
+    else {
+      _complete_finished_task(std::move(task), info);
+    }
+    // A runnable task was popped from a ready queue finished executing.
+    // If respawned into a ready queue then the ready count was incremented
+    // so decrement whether respawned or not.  If finished, all of the
+    // tasks waiting on this have been enqueued (either in the ready queue
+    // or the next waiting queue, in the case of an aggregate), and the
+    // ready count has been incremented for each of those, preventing
+    // quiescence.  Thus, it's safe to decrement the ready count here.
+    // TODO @tasking @memory_order DSH memory order? (probably release)
+    _decrement_ready_count();
+  }
+
+  template <class TaskQueueTraits, class SchedulingInfo, class TeamSchedulerInfo>
+  KOKKOS_FUNCTION
+  void
+  complete(
+    AggregateTask<TaskQueueTraits, SchedulingInfo>&& task,
+    TeamSchedulerInfo const& info
+  ) {
+    // TODO @tasking DSH old code has a ifndef __HCC_ACCELERATOR__ here; figure out why
+    _complete_finished_task(std::move(task), info);
+  }
+
+  // </editor-fold> end Task and queue completion }}}2
+  //----------------------------------------------------------------------------
+
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Scheduling"> {{{2
+
+public:
+
+  // This isn't actually generic; the template parameters are just to keep
+  // Derived from having to be complete
+  template <class TaskQueueTraits, class ReadyQueueType, class TeamSchedulerInfo>
+  KOKKOS_INLINE_FUNCTION
+  void
+  schedule_runnable_to_queue(
+    RunnableTaskBase<TaskQueueTraits>&& task,
+    ReadyQueueType& ready_queue,
+    TeamSchedulerInfo const& info
+  )
+  {
+    bool task_is_ready = true;
+    bool scheduling_info_updated = false;
+
+    // do this before enqueueing and potentially losing exclusive access to task
+    bool task_is_respawning = task.get_respawn_flag();
+
+    // clear the respawn flag, since we're handling the respawn (if any) here.
+    // We must make sure this is written through the cache, since the next
+    // thread to access it might be a Cuda thread from a different thread block.
+    ((RunnableTaskBase<TaskQueueTraits> volatile&)task).set_respawn_flag(false);
+
+    if(task.has_predecessor()) {
+      // save the predecessor into a local variable, then clear it from the
+      // task before adding it to the wait queue of the predecessor
+      // (We have exclusive access to the task's predecessor, so we don't need
+      // to do this atomically)
+      // TODO @tasking @internal_documentation DSH document that we expect exclusive access to `task` in this function
+      auto& predecessor = task.get_predecessor();
+      // This needs a load/store fence here, technically
+      // making this a release store would also do this
+      ((RunnableTaskBase<TaskQueueTraits> volatile&)task).clear_predecessor();
+
+      // TODO @tasking @memory_order DSH remove this fence in favor of memory orders
+      Kokkos::memory_fence(); // for now
+
+      // Try to add the task to the predecessor's waiting queue.  If it fails,
+      // the predecessor is already done
+      bool predecessor_not_ready = predecessor.try_add_waiting(task);
+
+      // NOTE: if the predecessor was not ready and the task was enqueued,
+      // we've lost exclusive access and should nt touch task again
+
+      // If the predecessor is not done, then task is not ready
+      task_is_ready = not predecessor_not_ready;
+
+      if(task_is_ready and predecessor.is_runnable()) {
+        // this is our last chance to update the scheduling info before
+        // predecessor is potentially deleted
+        _self().update_scheduling_info_from_completed_predecessor(
+          /* ready_task = */ task,
+          /* predecessor = */ predecessor.as_runnable_task()
+        );
+        scheduling_info_updated = true;
+      }
+
+      if(task_is_respawning) {
+        // Reference count for predecessor was incremented when
+        // respawn called set_dependency()
+        // so that if predecessor completed prior to the
+        // above try_add_waiting(), predecessor would not be destroyed.
+        // predecessor reference count can now be decremented,
+        // which may deallocate it.
+        bool should_delete = predecessor.decrement_and_check_reference_count();
+        if(should_delete) {
+          // TODO @tasking @cleanup DSH better encapsulation of this!
+          _self().deallocate(std::move(predecessor));
+        }
+      }
+      // Note! predecessor may be destroyed at this point, so don't add anything
+      // here
+    }
+
+    if(scheduling_info_updated) {
+      // We need to go back to the queue itself and see if it wants to schedule
+      // somewhere else
+      _self().schedule_runnable(std::move(task), info);
+    }
+    // Put it in the appropriate ready queue if it's ready
+    else if(task_is_ready) {
+      // Increment the ready count
+      _self()._increment_ready_count();
+      // and enqueue the task
+      // (can't move because the task isn't expired unless the push succeeds
+      bool push_success = ready_queue.push(task);
+      if(not push_success) {
+        _self().handle_failed_ready_queue_insertion(
+          std::move(task), ready_queue, info
+        );
+      }
+    }
+
+    // Task may be enqueued and may be run at any point; don't touch it (hence
+    // the use of move semantics)
+  }
+
+  template <class TaskQueueTraits, class ReadyQueueType, class TeamSchedulerInfo>
+  KOKKOS_INLINE_FUNCTION
+  void
+  handle_failed_ready_queue_insertion(
+    RunnableTaskBase<TaskQueueTraits>&& task,
+    ReadyQueueType& ready_queue,
+    TeamSchedulerInfo const& info
+  ) {
+    Kokkos::abort("Unhandled failure of ready task queue insertion!\n");
+  }
+
+  // This isn't actually generic; the template parameters are just to keep
+  // Derived from having to be complete
+  template <class TaskQueueTraits, class SchedulingInfo, class TeamSchedulerInfo>
+  KOKKOS_FUNCTION
+  void
+  schedule_aggregate(
+    AggregateTask<TaskQueueTraits, SchedulingInfo>&& aggregate,
+    TeamSchedulerInfo const& info
+  )
+  {
+    // Because the aggregate is being scheduled, should not be in any queue
+    KOKKOS_EXPECTS(not aggregate.is_enqueued());
+
+    using task_scheduling_info_type = typename Derived::task_scheduling_info_type;
+    using team_scheduler_info_type = typename Derived::team_scheduler_info_type;
+    static_assert(
+      std::is_same<TeamSchedulerInfo, team_scheduler_info_type>::value,
+      "SchedulingInfo type mismatch!"
+    );
+
+    bool incomplete_dependence_found = false;
+
+    for(auto*& predecessor_ptr_ref : aggregate) {
+
+      // if a previous scheduling operation hasn't already set the predecessor
+      // to nullptr, try to enqueue the aggregate into the predecessorendence's waiting
+      // queue
+      if(predecessor_ptr_ref != nullptr) {
+
+        // Swap the pointer onto the stack and set the one in the aggregate VLA
+        // to nullptr before we try to add it to the waiting queue so that some
+        // other thread doesn't also get to here and find the pointer to be
+        // not null (since as soon as we try and schedule the aggregate, we
+        // potentially lose exclusive access to it if that enqueueing operation
+        // succeeds.  The swap doesn't need to happen atomically since we have
+        // exclusive access to aggregate until an insertion succeeds
+        auto* predecessor_ptr = std::move(predecessor_ptr_ref);
+
+        // TODO @tasking @memory_order DSH I think this needs to be a store release so that it doesn't get reordered after the queue insertion
+        predecessor_ptr_ref = nullptr;
+
+        // TODO @tasking @memory_order DSH remove this fence in favor of memory orders
+        Kokkos::memory_fence();
+
+        // If adding the aggregate to the waiting queue succeeds, the predecessor is not
+        // complete
+        bool pred_not_ready = predecessor_ptr->try_add_waiting(aggregate);
+
+        // NOTE! At this point it is unsafe to access aggregate (unless the
+        // enqueueing failed, so we can't use move semantics to expire it)
+
+        // we found an incomplete dependence, so we can't make task's successors
+        // ready yet
+        incomplete_dependence_found = pred_not_ready;
+
+        if(not pred_not_ready) {
+          // A predecessor was done, and we didn't enqueue the aggregate
+          // Update the aggregate's scheduling info (we still have exclusive
+          // access to it here)
+          if(predecessor_ptr->is_runnable()) {
+            _self().update_scheduling_info_from_completed_predecessor(
+              aggregate, predecessor_ptr->as_runnable_task()
+            );
+          }
+          else {
+            KOKKOS_ASSERT(predecessor_ptr->is_aggregate());
+            _self().update_scheduling_info_from_completed_predecessor(
+              aggregate, (*predecessor_ptr).template as_aggregate<task_scheduling_info_type>()
+            );
+          }
+        }
+
+        // the reference count for the predecessor was incremented when we put
+        // it into the predecessor list, so decrement it here
+        bool should_delete = predecessor_ptr->decrement_and_check_reference_count();
+        if(should_delete) {
+          // TODO @tasking @cleanup DSH better encapsulation of this!
+          _self().deallocate(std::move(*predecessor_ptr));
+        }
+
+        // Stop the loop if we found an incomplete dependence
+        if(incomplete_dependence_found) break;
+      }
+    }
+
+    // NOTE: it's not safe to access aggregate any more if an incomplete dependence
+    // was found, because some other thread could have already popped it off
+    // of another waiting queue
+
+    if(not incomplete_dependence_found) {
+      // all of the predecessors were completed, so we can complete `task`
+      _self().complete(std::move(aggregate), info);
+    }
+    // Note!! task may have been deleted at this point, so don't add anything here!
+  }
+
+  // Provide a sensible default that can be overridden
+  template <class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    RunnableTaskBase<TaskQueueTraits>& ready_task,
+    RunnableTaskBase<TaskQueueTraits> const& predecessor
+  ) const
+  {
+    // by default, tell a ready task to use the scheduling info of its most
+    // recent predecessor
+    using task_scheduling_info_type = typename Derived::task_scheduling_info_type;
+    ready_task.template scheduling_info_as<task_scheduling_info_type>() =
+      predecessor.template scheduling_info_as<task_scheduling_info_type>();
+  }
+
+  // Provide a sensible default that can be overridden
+  template <class SchedulingInfo, class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    AggregateTask<TaskQueueTraits, SchedulingInfo>& aggregate,
+    RunnableTaskBase<TaskQueueTraits> const& predecessor
+  ) const
+  {
+    // by default, tell a ready task to use the scheduling info of its most
+    // recent predecessor
+    using task_scheduling_info_type = typename Derived::task_scheduling_info_type;
+    aggregate.scheduling_info() =
+      predecessor.template scheduling_info_as<task_scheduling_info_type>();
+  }
+
+  // Provide a sensible default that can be overridden
+  template <class SchedulingInfo, class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    AggregateTask<TaskQueueTraits, SchedulingInfo>& aggregate,
+    AggregateTask<TaskQueueTraits, SchedulingInfo> const& predecessor
+  ) const
+  {
+    // by default, tell a ready task to use the scheduling info of its most
+    // recent predecessor
+    aggregate.scheduling_info() = predecessor.scheduling_info();
+  }
+
+  // Provide a sensible default that can be overridden
+  template <class SchedulingInfo, class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void update_scheduling_info_from_completed_predecessor(
+    RunnableTaskBase<TaskQueueTraits>& ready_task,
+    AggregateTask<TaskQueueTraits, SchedulingInfo> const& predecessor
+  ) const
+  {
+    // by default, tell a ready task to use the scheduling info of its most
+    // recent predecessor
+    using task_scheduling_info_type = typename Derived::task_scheduling_info_type;
+    ready_task.template scheduling_info_as<task_scheduling_info_type>() =
+      predecessor.scheduling_info();
+  }
+
+  template <class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void initialize_scheduling_info_from_predecessor(
+    TaskNode<TaskQueueTraits>& task,
+    TaskNode<TaskQueueTraits>& predecessor
+  ) const
+  {
+    /* do nothing by default */
+  }
+
+  template <class TeamSchedulerInfo, class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION
+  void initialize_scheduling_info_from_team_scheduler_info(
+    TaskNode<TaskQueueTraits>& task,
+    TeamSchedulerInfo const& info
+  ) const
+  {
+    /* do nothing by default */
+  }
+
+  template <
+    class ExecutionSpace,
+    class MemorySpace,
+    class MemoryPool
+  >
+  static /* KOKKOS_CONSTEXPR_14 */ size_t
+  task_queue_allocation_size(
+    ExecutionSpace const&,
+    MemorySpace const&,
+    MemoryPool const&
+  )
+    // requires Same<ExecutionSpace, typename Derived::execution_space>
+    //            && Same<MemorySpace, typename Derived::memory_space>
+    //            && Same<MemoryPool, typename Derived::memory_pool>
+  {
+    static_assert(
+      std::is_same<ExecutionSpace, typename Derived::execution_space>::value
+        && std::is_same<MemorySpace, typename Derived::memory_space>::value
+        && std::is_same<MemoryPool, typename Derived::memory_pool>::value,
+      "Type mismatch in task_queue_allocation_size customization point"
+    );
+
+    return sizeof(Derived);
+  }
+
+  // </editor-fold> end Scheduling }}}2
+  //----------------------------------------------------------------------------
+
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKQUEUECOMMON_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueueMemoryManager.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMemoryManager.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..c3ed1d6c71687cdf9768e4e21d7b6302724cb569
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMemoryManager.hpp
@@ -0,0 +1,251 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_TASKQUEUEMEMORYMANAGER_HPP
+#define KOKKOS_IMPL_TASKQUEUEMEMORYMANAGER_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_MemoryPool.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_OptionalRef.hpp>
+#include <impl/Kokkos_LIFO.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template <
+  class ExecSpace,
+  class MemorySpace,
+  class MemoryPool = Kokkos::MemoryPool<Kokkos::Device<ExecSpace, MemorySpace>>
+>
+class TaskQueueMemoryManager
+  : public TaskQueueBase
+{
+public:
+
+  using execution_space = ExecSpace;
+  using memory_space = MemorySpace;
+  using device_type = Kokkos::Device<execution_space, memory_space>;
+  using memory_pool = MemoryPool;
+  using allocation_size_type = size_t;
+
+private:
+
+  memory_pool m_pool;
+  // TODO @tasking @generalization DSH re-enable this with a flag in the type
+  //long m_accum_alloc = 0;
+  int m_count_alloc = 0;
+  int m_max_alloc = 0;
+
+  struct _allocation_result {
+    bool success;
+    void* pointer;
+  };
+
+  KOKKOS_INLINE_FUNCTION
+  _allocation_result
+  _do_pool_allocate(allocation_size_type requested_size) {
+    // KOKKOS_EXPECTS(requested_size >= 0); generates a warning when allocation_size_type is unsigned
+    if(requested_size == 0 ) {
+      return { true, nullptr };
+    }
+    else {
+      void* data = m_pool.allocate(static_cast<size_t>(requested_size));
+
+      //Kokkos::atomic_increment(&m_accum_alloc); // memory_order_relaxed
+      Kokkos::atomic_increment(&m_count_alloc); // memory_order_relaxed
+      // TODO @tasking @minor DSH make this thread safe? (otherwise, it's just an approximation, which is probably fine...)
+      if(m_max_alloc < m_count_alloc) m_max_alloc = m_count_alloc;
+
+      return { data != nullptr, data };
+    }
+  }
+
+  template <class T, class... Args>
+  KOKKOS_INLINE_FUNCTION
+  T*
+  _do_contruct(void* allocated, allocation_size_type allocated_size, Args&&... args) {
+
+    static_assert(
+      std::is_base_of<PoolAllocatedObjectBase<int32_t>, T>::value,
+      "TaskQueueMemoryManager can only allocate objects with PoolAllocatedObjectBase base class"
+    );
+
+    // TODO @tasking DSH figure out why this isn't working
+    //static_assert(
+    //  std::is_constructible<T, Args..., int32_t>::value,
+    //  "TaskQueueMemoryManager can't construct object of the requested type from the "
+    //  " allocation size and the given arguments"
+    //);
+
+
+    auto rv = new (allocated) T(
+      std::forward<Args>(args)...,
+      allocated_size
+    );
+
+    // It feels like there should be a way to check this at compile-time
+    KOKKOS_ASSERT(
+      (intptr_t)(rv) == (intptr_t)(static_cast<PoolAllocatedObjectBase<int32_t>*>(rv))
+        && "PoolAllocatedObjectBase must be the first base class of the allocated type"
+    );
+
+    return rv;
+
+  }
+
+
+public:
+
+  explicit
+  TaskQueueMemoryManager(memory_pool const& pool)
+    : m_pool(pool)
+  { }
+
+
+  template <class T, class... Args>
+  KOKKOS_FUNCTION
+  T*
+  allocate_and_construct(Args&&... args)
+    // requires
+    //   std::is_base_of_v<PoolAllocatedObjectBase<typename memory_pool::size_type>, T>
+    //     && std::is_constructible_v<T, Args&&..., allocation_size_type>
+  {
+    constexpr auto allocation_size = sizeof(T);
+
+
+    auto result = _do_pool_allocate(allocation_size);
+
+    KOKKOS_ASSERT(result.success && "Memory allocation failure");
+
+    auto rv = _do_contruct<T>(result.pointer, allocation_size, std::forward<Args>(args)...);
+
+    KOKKOS_ENSURES(intptr_t(rv) % alignof(T) == 0 && "alignment not preserved!");
+
+    return rv;
+  }
+
+  template <class T, class VLAValueType, class... Args>
+  KOKKOS_INLINE_FUNCTION
+  T*
+  allocate_and_construct_with_vla_emulation(
+    allocation_size_type n_vla_entries,
+    Args&&... args
+  )
+    // requires
+    //   std::is_base_of_v<PoolAllocatedObjectBase<typename memory_pool::size_type>, T>
+    //     && std::is_base_of<ObjectWithVLAEmulation<T, VLAValueType>, T>::value
+    //     && std::is_constructible_v<T, allocation_size_type, Args&&...>
+  {
+
+
+    static_assert(
+      std::is_base_of<ObjectWithVLAEmulation<T, VLAValueType>, T>::value,
+      "Can't append emulated variable length array of type with greater alignment than"
+      "  the type to which the VLA is being appended"
+    );
+
+    using vla_emulation_base = ObjectWithVLAEmulation<T, VLAValueType>;
+
+    auto const allocation_size = vla_emulation_base::required_allocation_size(n_vla_entries);
+    auto result = _do_pool_allocate(allocation_size);
+
+    KOKKOS_ASSERT(result.success && "Memory allocation failure");
+
+    auto rv = _do_contruct<T>(result.pointer, allocation_size, std::forward<Args>(args)...);
+
+    KOKKOS_ENSURES(intptr_t(rv) % alignof(T) == 0);
+
+    return rv;
+  }
+
+  template <class CountType>
+  KOKKOS_INLINE_FUNCTION
+  void deallocate(PoolAllocatedObjectBase<CountType>&& obj)
+  {
+    m_pool.deallocate((void*)&obj, 1);
+    Kokkos::atomic_decrement(&m_count_alloc); // memory_order_relaxed
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  memory_pool& get_memory_pool() { return m_pool; }
+  KOKKOS_INLINE_FUNCTION
+  memory_pool const& get_memory_pool() const { return m_pool; }
+
+  KOKKOS_INLINE_FUNCTION
+  int allocation_count() const noexcept { return m_count_alloc; }
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+////////////////////////////////////////////////////////////////////////////////
+// END OLD CODE
+////////////////////////////////////////////////////////////////////////////////
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKQUEUEMEMORYMANAGER_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..17c357ff31252020c84b801af0b50d7f87bfa81b
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple.hpp
@@ -0,0 +1,286 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_TASKQUEUEMULTIPLE_HPP
+#define KOKKOS_IMPL_TASKQUEUEMULTIPLE_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <Kokkos_MemoryPool.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskResult.hpp>
+#include <impl/Kokkos_TaskQueue.hpp>
+
+#include <impl/Kokkos_Memory_Fence.hpp>
+#include <impl/Kokkos_Atomic_Increment.hpp>
+#include <impl/Kokkos_Atomic_Decrement.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+#include <cassert>
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template< typename ExecSpace, typename MemorySpace = typename ExecSpace::memory_space >
+class LeagueQueueCollection;
+
+template <class ExecSpace, class MemorySpace>
+class TaskQueueMultiple : public TaskQueue<ExecSpace, MemorySpace> {
+private:
+
+  using base_t = TaskQueue<ExecSpace, MemorySpace>;
+  using queue_collection_t = LeagueQueueCollection<ExecSpace, MemorySpace>;
+
+  int m_league_rank = static_cast<int>(KOKKOS_INVALID_INDEX);
+
+  // This pointer is owning only if m_league_rank == 0
+  queue_collection_t* m_other_queues = nullptr;
+
+
+public:
+
+  struct Destroy {
+    TaskQueueMultiple* m_queue ;
+    void destroy_shared_allocation();
+  };
+
+
+  using team_queue_type = TaskQueueMultiple;
+
+  TaskQueueMultiple(
+    int arg_league_rank,
+    queue_collection_t* arg_other_queues,
+    typename base_t::memory_pool const& arg_memory_pool
+  )
+    : base_t(arg_memory_pool),
+      m_league_rank(arg_league_rank),
+      m_other_queues(arg_other_queues)
+  { }
+
+  explicit TaskQueueMultiple(
+    typename base_t::memory_pool const& arg_memory_pool
+  )
+    : base_t(arg_memory_pool),
+      m_league_rank(0)
+  {
+    void* other_queues_buffer = typename base_t::memory_space{}.allocate(sizeof(queue_collection_t));
+    m_other_queues = new(other_queues_buffer) queue_collection_t(this);
+  }
+
+  ~TaskQueueMultiple() {
+    if(m_league_rank == 0 && m_other_queues != nullptr) {
+      m_other_queues->~queue_collection_t();
+      typename base_t::memory_space{}.deallocate(m_other_queues, sizeof(queue_collection_t));
+    }
+    // rest of destruction is handled in the base class
+  }
+
+  //----------------------------------------
+
+  void initialize_team_queues(int arg_league_size) const noexcept {
+    m_other_queues->initialize_team_queues(arg_league_size, this->m_memory);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  team_queue_type& get_team_queue(int arg_league_rank) noexcept {
+    if(arg_league_rank == m_league_rank) return *this;
+    else return m_other_queues->get_team_queue(arg_league_rank);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  typename base_t::task_root_type*
+  attempt_to_steal_task() noexcept {
+    TaskBase* rv = nullptr;
+    auto* const end_tag = reinterpret_cast<TaskBase*>(TaskBase::EndTag);
+
+    if (m_other_queues == nullptr) {
+      Kokkos::abort("attempted to steal task before queues were initialized!");
+    }
+
+    // Loop by priority and then type, and then team
+    for ( int i = 0 ; i < base_t::NumQueue; ++i ) {
+      for ( int j = 0 ; j < 2; ++j ) {
+        // for now, always start by trying to steal from team zero
+        for(int iteam = 0; iteam < m_other_queues->size(); ++iteam) {
+          if(iteam == m_league_rank) continue;
+          auto& steal_from = get_team_queue(iteam);
+          if( *((volatile int *) & steal_from.m_ready_count) > 0 ) {
+            // we've found at least one queue that's not done, so even if we can't
+            // pop something off of it we shouldn't return a nullptr indicating
+            // completion.  rv will be end_tag when the pop fails
+            rv = base_t::pop_ready_task(&steal_from.m_ready[i][j]);
+            if(rv != end_tag) {
+              // task stolen.
+              // first increment our ready count, then decrement the ready count
+              // on the other queue:
+              Kokkos::atomic_increment(&this->m_ready_count);
+              Kokkos::atomic_decrement(&steal_from.m_ready_count);
+              return rv;
+            }
+          }
+        }
+      }
+    }
+
+    // at this point, rv will only be nullptr if *all* of the queues had an
+    // m_ready_count of 0.  This indicates quiescence.  If at least some of them
+    // had non-zero, there would have been at least one pop_ready_task that
+    // was called and returned end_tag if it couldn't pop a task
+    return rv;
+  }
+
+
+};
+
+template<typename ExecSpace, typename MemorySpace>
+class LeagueQueueCollection {
+private:
+
+  using execution_space = ExecSpace;
+  using memory_space = MemorySpace;
+  using device_type = Kokkos::Device<execution_space, memory_space>;
+  using memory_pool = Kokkos::MemoryPool<device_type>;
+  using team_queue_type = TaskQueueMultiple<execution_space, memory_space>;
+  using team_scheduler_type = BasicTaskScheduler<ExecSpace, team_queue_type>;
+  using specialization = TaskQueueSpecialization<team_scheduler_type>;
+
+  enum : long { max_num_queues = 6 }; //specialization::max_league_size };
+
+  // this is a non-owning pointer
+  team_queue_type* m_rank_zero_queue = nullptr;
+  // This really needs to be an optional<TaskQueue<ExecSpace>>
+  union optional_queue {
+    KOKKOS_INLINE_FUNCTION
+    optional_queue() : uninitialized(0) { }
+    KOKKOS_INLINE_FUNCTION
+    ~optional_queue() { uninitialized = 0; }
+    char uninitialized;
+    team_queue_type initialized;
+  } m_queues[max_num_queues];
+  int m_size = static_cast<int>(KOKKOS_INVALID_INDEX);
+
+public:
+
+  LeagueQueueCollection() = delete;
+  LeagueQueueCollection(LeagueQueueCollection const&) = delete;
+  LeagueQueueCollection(LeagueQueueCollection&&) = delete;
+  LeagueQueueCollection& operator=(LeagueQueueCollection const&) = delete;
+  LeagueQueueCollection& operator=(LeagueQueueCollection&&) = delete;
+
+  ~LeagueQueueCollection() {
+    // destroy only the initialized queues that we own
+    for(int iteam = 0; iteam < m_size - 1; ++iteam) {
+      m_queues[iteam].initialized.~team_queue_type();
+      m_queues[iteam].uninitialized = 0;
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  explicit LeagueQueueCollection(
+    team_queue_type* arg_rank_zero_queue
+  ) : m_rank_zero_queue(arg_rank_zero_queue),
+      m_size(1)
+  { }
+
+  void initialize_team_queues(
+    int arg_count, memory_pool const& arg_memory_pool
+  ) noexcept
+  {
+    arg_count = std::min((int)max_num_queues, arg_count);
+    //assert(arg_count <= max_num_queues);
+    if(arg_count > m_size) {
+      for(int i = m_size; i < arg_count; ++i) {
+        new(&m_queues[i-1].initialized) team_queue_type(i, this, arg_memory_pool);
+      }
+      m_size = arg_count;
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr int size() const noexcept { return m_size; }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr bool initialized() const noexcept { return m_size != int(KOKKOS_INVALID_INDEX); }
+
+  KOKKOS_INLINE_FUNCTION
+  team_queue_type& get_team_queue(int iteam) {
+    iteam %= max_num_queues;
+    #if !defined(__HCC_ACCELERATOR__) && !defined(__CUDA_ARCH__)
+    assert(initialized());
+    assert(iteam < m_size);
+    assert(iteam >= 0);
+    #endif
+    if(iteam == 0) return *m_rank_zero_queue;
+    else return m_queues[iteam-1].initialized;
+  }
+
+};
+
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#include <impl/Kokkos_TaskQueueMultiple_impl.hpp>
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKQUEUEMULTIPLE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple_impl.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple_impl.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..81bcc968315ca00e22a1e41f857d3160621ba168
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueueMultiple_impl.hpp
@@ -0,0 +1,72 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_TASKQUEUEMULTIPLE_IMPL_HPP
+#define KOKKOS_IMPL_TASKQUEUEMULTIPLE_IMPL_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <impl/Kokkos_TaskQueueMultiple.hpp>
+
+#define KOKKOS_IMPL_DEBUG_TASKDAG_SCHEDULING_MULTIPLE 0
+
+namespace Kokkos {
+namespace Impl {
+
+template <class ExecSpace, class MemorySpace>
+void TaskQueueMultiple<ExecSpace, MemorySpace>::Destroy::destroy_shared_allocation() {
+// KOKKOS WORKAROUND for CUDA 10.1 with GCC 7.3.0
+#if(KOKKOS_COMPILER_CUDA_VERSION==101) && defined(KOKKOS_COMPILER_NVCC) && (KOKKOS_COMPILER_GNU>=730)
+  (*m_queue).get_team_queue(0).~TaskQueueMultiple();
+#else
+  m_queue->get_team_queue(0).~TaskQueueMultiple();
+#endif
+}
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKQUEUEMULTIPLE_IMPL_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskQueue_impl.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskQueue_impl.hpp
index 5bcf672ff638ded5179528bc7473e5ab96ecd636..b5f8db0085874a0b3de033e0379fa7cea02420f5 100644
--- a/lib/kokkos/core/src/impl/Kokkos_TaskQueue_impl.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskQueue_impl.hpp
@@ -41,6 +41,8 @@
 //@HEADER
 */
 
+#ifndef KOKKOS_IMPL_TASKQUEUE_IMPL_HPP
+#define KOKKOS_IMPL_TASKQUEUE_IMPL_HPP
 #include <Kokkos_Macros.hpp>
 #if defined( KOKKOS_ENABLE_TASKDAG )
 
@@ -51,22 +53,22 @@ namespace Impl {
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
-void TaskQueue< ExecSpace >::Destroy::destroy_shared_allocation()
+template< typename ExecSpace, typename MemorySpace >
+void TaskQueue< ExecSpace, MemorySpace >::Destroy::destroy_shared_allocation()
 {
   m_queue->~TaskQueue();
 }
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
-TaskQueue< ExecSpace >::TaskQueue
-  ( typename TaskQueue< ExecSpace >::memory_pool const & arg_memory_pool )
+template< typename ExecSpace, typename MemorySpace>
+TaskQueue< ExecSpace, MemorySpace>::TaskQueue
+  ( typename TaskQueue< ExecSpace, MemorySpace>::memory_pool const & arg_memory_pool )
   : m_memory( arg_memory_pool )
   , m_ready()
-  , m_accum_alloc(0)
-  , m_count_alloc(0)
-  , m_max_alloc(0)
+  //, m_accum_alloc(0)
+  //, m_count_alloc(0)
+  //, m_max_alloc(0)
   , m_ready_count(0)
 {
   for ( int i = 0 ; i < NumQueue ; ++i ) {
@@ -77,8 +79,8 @@ TaskQueue< ExecSpace >::TaskQueue
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
-TaskQueue< ExecSpace >::~TaskQueue()
+template< typename ExecSpace, typename MemorySpace>
+TaskQueue< ExecSpace, MemorySpace>::~TaskQueue()
 {
   // Verify that queues are empty and ready count is zero
 
@@ -97,10 +99,10 @@ TaskQueue< ExecSpace >::~TaskQueue()
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::decrement
-  ( TaskQueue< ExecSpace >::task_root_type * task )
+void TaskQueue< ExecSpace, MemorySpace>::decrement
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * task )
 {
   task_root_type volatile & t = *task ;
 
@@ -121,8 +123,13 @@ void TaskQueue< ExecSpace >::decrement
        ( t.m_next == (task_root_type *) task_root_type::LockTag ) ) {
     // Reference count is zero and task is complete, deallocate.
 
-    TaskQueue< ExecSpace > * const queue =
-      static_cast< TaskQueue< ExecSpace > * >( t.m_queue );
+    //TaskQueue< ExecSpace, MemorySpace> * const queue =
+    //  static_cast<scheduler_type const *>( t.m_scheduler )->m_queue;
+    auto* const volatile queue = static_cast<TaskQueue*>(t.m_queue);
+
+    // TODO @tasking @minor DSH this should call the destructor for a non-trivially destructible type (possibly just ignore this in the old version, though?)
+    // (Can't just do this; it needs to be queued since it's device code
+    // if(task->m_destroy) task->m_destroy(task);
 
     queue->deallocate( task , t.m_alloc_size );
   }
@@ -133,32 +140,32 @@ void TaskQueue< ExecSpace >::decrement
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-size_t TaskQueue< ExecSpace >::allocate_block_size( size_t n )
+size_t TaskQueue< ExecSpace, MemorySpace>::allocate_block_size( size_t n )
 {
   return m_memory.allocate_block_size( n );
 }
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void * TaskQueue< ExecSpace >::allocate( size_t n )
+void * TaskQueue< ExecSpace, MemorySpace>::allocate( size_t n )
 {
   void * const p = m_memory.allocate(n);
 
   if ( p ) {
-    Kokkos::atomic_increment( & m_accum_alloc );
+    //Kokkos::atomic_increment( & m_accum_alloc );
     Kokkos::atomic_increment( & m_count_alloc );
 
-    if ( m_max_alloc < m_count_alloc ) m_max_alloc = m_count_alloc ;
+    //if ( m_max_alloc < m_count_alloc ) m_max_alloc = m_count_alloc ;
   }
 
   return p ;
 }
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::deallocate( void * p , size_t n )
+void TaskQueue< ExecSpace, MemorySpace>::deallocate( void * p , size_t n )
 {
   m_memory.deallocate( p , n );
   Kokkos::atomic_decrement( & m_count_alloc );
@@ -166,11 +173,11 @@ void TaskQueue< ExecSpace >::deallocate( void * p , size_t n )
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-bool TaskQueue< ExecSpace >::push_task
-  ( TaskQueue< ExecSpace >::task_root_type * volatile * const queue
-  , TaskQueue< ExecSpace >::task_root_type * const task
+bool TaskQueue< ExecSpace, MemorySpace>::push_task
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * volatile * const queue
+  , TaskQueue< ExecSpace, MemorySpace>::task_root_type * const task
   )
 {
   // Push task into a concurrently pushed and popped queue.
@@ -200,20 +207,29 @@ bool TaskQueue< ExecSpace >::push_task
     Kokkos::abort("TaskQueue::push_task ERROR: already a member of another queue" );
   }
 
-  task_root_type * y = *queue ;
+  // store the head of the queue
+  task_root_type * old_head = *queue ;
 
-  while ( lock != y ) {
+  while ( old_head != lock ) {
 
-    next = y ;
+    // set task->next to the head of the queue
+    next = old_head;
 
     // Do not proceed until 'next' has been stored.
     Kokkos::memory_fence();
 
-    task_root_type * const x = y ;
+    // store the old head
+    task_root_type * const old_head_tmp = old_head;
 
-    y = Kokkos::atomic_compare_exchange(queue,y,task);
+    // attempt to swap task with the old head of the queue
+    // as if this were done atomically:
+    //   if(*queue == old_head) {
+    //     *queue = task;
+    //   }
+    //   old_head = *queue;
+    old_head = Kokkos::atomic_compare_exchange(queue, old_head, task);
 
-    if ( x == y ) return true ;
+    if(old_head_tmp == old_head) return true;
   }
 
   // Failed, replace 'task->m_next' value since 'task' remains
@@ -229,11 +245,11 @@ bool TaskQueue< ExecSpace >::push_task
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-typename TaskQueue< ExecSpace >::task_root_type *
-TaskQueue< ExecSpace >::pop_ready_task
-  ( TaskQueue< ExecSpace >::task_root_type * volatile * const queue )
+typename TaskQueue< ExecSpace, MemorySpace>::task_root_type *
+TaskQueue< ExecSpace, MemorySpace>::pop_ready_task
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * volatile * const queue )
 {
   // Pop task from a concurrently pushed and popped ready task queue.
   // The queue is a linked list where 'task->m_next' form the links.
@@ -280,6 +296,10 @@ TaskQueue< ExecSpace >::pop_ready_task
 
       task_root_type * volatile & next = task->m_next ;
 
+      // This algorithm is not lockfree because a adversarial scheduler could
+      // context switch this thread at this point and the rest of the threads
+      // calling this method would never make forward progress
+
       *queue = next ; next = lock ;
 
       Kokkos::memory_fence();
@@ -304,10 +324,10 @@ TaskQueue< ExecSpace >::pop_ready_task
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::schedule_runnable
-  ( TaskQueue< ExecSpace >::task_root_type * const task )
+void TaskQueue< ExecSpace, MemorySpace>::schedule_runnable
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * const task )
 {
   // Schedule a runnable task upon construction / spawn
   // and upon completion of other tasks that 'task' is waiting on.
@@ -389,6 +409,8 @@ void TaskQueue< ExecSpace >::schedule_runnable
 
   Kokkos::memory_fence();
 
+  // If we don't have a dependency, or if pushing onto the wait queue of that dependency
+  // failed (since the only time that queue should be locked is when the task is transitioning to complete??!?)
   const bool is_ready =
     ( 0 == dep ) || ( ! push_task( & dep->m_wait , task ) );
 
@@ -431,10 +453,10 @@ void TaskQueue< ExecSpace >::schedule_runnable
   //   from a queue and processed it as appropriate.
 }
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::schedule_aggregate
-  ( TaskQueue< ExecSpace >::task_root_type * const task )
+void TaskQueue< ExecSpace, MemorySpace>::schedule_aggregate
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * const task )
 {
   // Schedule an aggregate task upon construction
   // and upon completion of other tasks that 'task' is waiting on.
@@ -556,9 +578,9 @@ void TaskQueue< ExecSpace >::schedule_aggregate
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::reschedule( task_root_type * task )
+void TaskQueue< ExecSpace, MemorySpace>::reschedule( task_root_type * task )
 {
   // Precondition:
   //   task is in Executing state
@@ -578,10 +600,10 @@ void TaskQueue< ExecSpace >::reschedule( task_root_type * task )
 
 //----------------------------------------------------------------------------
 
-template< typename ExecSpace >
+template< typename ExecSpace, typename MemorySpace>
 KOKKOS_FUNCTION
-void TaskQueue< ExecSpace >::complete
-  ( TaskQueue< ExecSpace >::task_root_type * task )
+void TaskQueue< ExecSpace, MemorySpace>::complete
+  ( TaskQueue< ExecSpace, MemorySpace>::task_root_type * task )
 {
   // Complete a runnable task that has finished executing
   // or a when_all task when all of its dependeneces are complete.
@@ -679,4 +701,5 @@ void TaskQueue< ExecSpace >::complete
 } /* namespace Kokkos */
 
 #endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKQUEUE_IMPL_HPP */
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskResult.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskResult.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..d45ebff00b07d390d16292b87fa62f559771e11b
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskResult.hpp
@@ -0,0 +1,151 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Experimental unified task-data parallel manycore LDRD
+
+#ifndef KOKKOS_IMPL_TASKRESULT_HPP
+#define KOKKOS_IMPL_TASKRESULT_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_TaskScheduler_fwd.hpp>
+#include <Kokkos_Core_fwd.hpp>
+
+#include <impl/Kokkos_TaskBase.hpp>
+#include <impl/Kokkos_TaskNode.hpp>
+
+#include <string>
+#include <typeinfo>
+#include <stdexcept>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template< typename ResultType >
+struct TaskResult {
+
+  enum : int32_t { size = sizeof(ResultType) };
+
+  using reference_type = ResultType & ;
+
+  template <class CountType>
+  KOKKOS_INLINE_FUNCTION static
+  ResultType * ptr( PoolAllocatedObjectBase<CountType>* task )
+  {
+    return reinterpret_cast< ResultType * >
+    ( reinterpret_cast< char * >(task) + task->get_allocation_size() - sizeof(ResultType) );
+  }
+
+  KOKKOS_INLINE_FUNCTION static
+  ResultType * ptr( TaskBase* task )
+    {
+      return reinterpret_cast< ResultType * >
+        ( reinterpret_cast< char * >(task) + task->m_alloc_size - sizeof(ResultType) );
+    }
+
+  KOKKOS_INLINE_FUNCTION static
+  reference_type get( TaskBase* task )
+    { return *ptr( task ); }
+
+  template <class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION static
+  reference_type get( TaskNode<TaskQueueTraits>* task )
+  { return *ptr( task ); }
+
+  KOKKOS_INLINE_FUNCTION static
+  void destroy( TaskBase* task )
+    { get(task).~ResultType(); }
+
+
+  //template <class TaskQueueTraits>
+  //KOKKOS_INLINE_FUNCTION static
+  //void destroy( TaskNode<TaskQueueTraits>* task )
+  //{ get(task).~ResultType(); }
+};
+
+template<>
+struct TaskResult< void > {
+
+  enum : int32_t { size = 0 };
+
+  using reference_type = void ;
+
+  template <class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION static
+  void* ptr( TaskNode<TaskQueueTraits>* task )
+  { return nullptr; }
+
+  KOKKOS_INLINE_FUNCTION static
+  void * ptr( TaskBase* ) { return (void*) nullptr ; }
+
+  template <class TaskQueueTraits>
+  KOKKOS_INLINE_FUNCTION static
+  reference_type get( TaskNode<TaskQueueTraits>* task )
+  { /* Should never be called */ }
+
+  KOKKOS_INLINE_FUNCTION static
+  reference_type get( TaskBase* ) {}
+
+  KOKKOS_INLINE_FUNCTION static
+  void destroy( TaskBase* task )
+    { }
+
+  //template <class TaskQueueTraits>
+  //KOKKOS_INLINE_FUNCTION static
+  //void destroy( TaskNode<TaskQueueTraits>* task )
+  //{ }
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_TASKRESULT_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_TaskTeamMember.hpp b/lib/kokkos/core/src/impl/Kokkos_TaskTeamMember.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..4bf3f4fa94d366541af3cbeab399249116c62562
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_TaskTeamMember.hpp
@@ -0,0 +1,135 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_TASKTEAMMEMBER_HPP
+#define KOKKOS_TASKTEAMMEMBER_HPP
+
+//----------------------------------------------------------------------------
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+#include <Kokkos_Core_fwd.hpp>
+#include <Kokkos_TaskScheduler_fwd.hpp>
+//----------------------------------------------------------------------------
+
+#include <Kokkos_MemoryPool.hpp>
+#include <impl/Kokkos_Tags.hpp>
+
+#include <Kokkos_Future.hpp>
+#include <impl/Kokkos_TaskQueue.hpp>
+#include <impl/Kokkos_SingleTaskQueue.hpp>
+#include <impl/Kokkos_TaskQueueMultiple.hpp>
+#include <impl/Kokkos_TaskPolicyData.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template <class TeamMember, class Scheduler>
+class TaskTeamMemberAdapter : public TeamMember {
+private:
+
+  Scheduler m_scheduler;
+
+public:
+
+  //----------------------------------------
+
+  // Forward everything but the Scheduler to the constructor of the TeamMember
+  // type that we're adapting
+  template <typename... Args>
+  KOKKOS_INLINE_FUNCTION
+  explicit TaskTeamMemberAdapter(
+    typename std::enable_if<
+      std::is_constructible<TeamMember, Args...>::value,
+      Scheduler
+    >::type arg_scheduler,
+    Args&&... args
+  ) // TODO @tasking @minor DSH noexcept specification
+    : TeamMember(std::forward<Args>(args)...),
+      m_scheduler(std::move(arg_scheduler).get_team_scheduler(this->league_rank()))
+  { }
+
+  // (rule of 6 constructors)
+
+  KOKKOS_INLINE_FUNCTION
+  TaskTeamMemberAdapter() = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskTeamMemberAdapter(TaskTeamMemberAdapter const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskTeamMemberAdapter(TaskTeamMemberAdapter&&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskTeamMemberAdapter& operator=(TaskTeamMemberAdapter const&) = default;
+
+  KOKKOS_INLINE_FUNCTION
+  TaskTeamMemberAdapter& operator=(TaskTeamMemberAdapter&&) = default;
+
+  KOKKOS_INLINE_FUNCTION ~TaskTeamMemberAdapter() = default;
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION
+  Scheduler const& scheduler() const noexcept { return m_scheduler; }
+
+  KOKKOS_INLINE_FUNCTION
+  Scheduler& scheduler() noexcept { return m_scheduler; }
+
+  //----------------------------------------
+
+};
+
+} // end namespace Impl
+} // namespace Kokkos
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_TASKTEAMMEMBER_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_Traits.hpp b/lib/kokkos/core/src/impl/Kokkos_Traits.hpp
index 475a696719a962d571899077ef49dcdef8001809..a5af82838ff2770b8faefa15cb335e4c5649dc8d 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Traits.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Traits.hpp
@@ -483,6 +483,54 @@ struct is_integral_constant< integral_constant<T,v> > : public true_
   enum { integral_value = v };
 };
 
+//----------------------------------------------------------------------------
+
+template <class...>
+class TypeList;
+
+//----------------------------------------------------------------------------
+
+template <class>
+struct ReverseTypeList;
+
+template <class Head, class... Tail>
+struct ReverseTypeList<TypeList<Head, Tail...>> {
+  template <class... ReversedTail>
+  struct impl {
+    using type = typename ReverseTypeList<TypeList<Tail...>>::template impl<Head, ReversedTail...>::type;
+  };
+  using type = typename impl<>::type;
+};
+
+template <>
+struct ReverseTypeList<TypeList<>> {
+  template <class... ReversedTail>
+  struct impl {
+    using type = TypeList<ReversedTail...>;
+  };
+  using type = TypeList<>;
+};
+
+//----------------------------------------------------------------------------
+
+template <class T>
+struct make_all_extents_into_pointers
+{
+  using type = T;
+};
+
+template <class T, unsigned N>
+struct make_all_extents_into_pointers<T[N]>
+{
+  using type = typename make_all_extents_into_pointers<T>::type*;
+};
+
+template <class T>
+struct make_all_extents_into_pointers<T*>
+{
+  using type = typename make_all_extents_into_pointers<T>::type*;
+};
+
 } // namespace Impl
 } // namespace Kokkos
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_VLAEmulation.hpp b/lib/kokkos/core/src/impl/Kokkos_VLAEmulation.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..48e1851e60f382d93e6e69424b68b7e754350cd7
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_VLAEmulation.hpp
@@ -0,0 +1,295 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_IMPL_VLAEMULATION_HPP
+#define KOKKOS_IMPL_VLAEMULATION_HPP
+
+#include <Kokkos_Macros.hpp>
+#if defined( KOKKOS_ENABLE_TASKDAG )
+
+
+#include <Kokkos_Core_fwd.hpp>
+
+#include <impl/Kokkos_Error.hpp> // KOKKOS_EXPECTS
+
+#include <type_traits> // std::is_abstract<>, ...
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+template <
+  class Derived,
+  class VLAValueType,
+  class EntryCountType = int32_t
+>
+struct ObjectWithVLAEmulation;
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+/** @brief Attorney to enable private CRTP inheritance from ObjectWithVLAEmulation
+ */
+struct VLAEmulationAccess {
+private:
+
+  template <class, class, class>
+  friend struct ObjectWithVLAEmulation;
+
+  template <class Derived, class VLAValueType, class EntryCountType>
+  KOKKOS_FORCEINLINE_FUNCTION
+  static constexpr Derived*
+  _cast_to_derived(ObjectWithVLAEmulation<Derived, VLAValueType, EntryCountType>* base) noexcept
+  {
+    return static_cast<Derived*>(base);
+  }
+
+  template <class Derived, class VLAValueType, class EntryCountType>
+  KOKKOS_FORCEINLINE_FUNCTION
+  static constexpr Derived const*
+  _cast_to_derived(ObjectWithVLAEmulation<Derived, VLAValueType, EntryCountType> const* base) noexcept
+  {
+    return static_cast<Derived const*>(base);
+  }
+
+};
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+/** \brief A CRTP base class for a type that includes a variable-length array by allocation
+ *
+ *  The storage for the derived type must be allocated manually and the objects
+ *  (both derived type and VLA objects) must be constructed with placement new.
+ *  Obviously, this can't be done for objects on the stack.
+ *
+ *  Note: Though most uses of this currently delete the copy and move constructor
+ *  in the `Derived` type, this type is intended to have value semantics.
+ *
+ *  \todo @documentation elaborate on implications of value semantics for this class template
+ *
+ */
+template <
+  class Derived,
+  class VLAValueType,
+  class EntryCountType /* = int32_t */
+>
+struct ObjectWithVLAEmulation {
+public:
+
+  using object_type = Derived;
+  using vla_value_type = VLAValueType;
+  using vla_entry_count_type = EntryCountType;
+
+  using iterator = VLAValueType*;
+  using const_iterator = typename std::add_const<VLAValueType>::type*;
+
+
+  // TODO @tasking @minor DSH require that Derived be marked final? (note that std::is_final is C++14)
+  // TODO @tasking @minor DSH delete non-placement operator new for Derived type?
+
+private:
+
+  vla_entry_count_type m_num_entries;
+
+  // CRTP boilerplate
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  /* KOKKOS_CONSTEXPR_14 */
+  Derived* _this() noexcept { return VLAEmulationAccess::_cast_to_derived(this); }
+
+  KOKKOS_FORCEINLINE_FUNCTION
+  /* KOKKOS_CONSTEXPR_14 */
+  Derived const* _this() const noexcept { return VLAEmulationAccess::_cast_to_derived(this); }
+
+  // Note: can't be constexpr because of reinterpret_cast
+  KOKKOS_FORCEINLINE_FUNCTION
+  /* KOKKOS_CONSTEXPR_14 */
+  vla_value_type* _vla_pointer() noexcept {
+    // The data starts right after the aligned storage of Derived
+    return reinterpret_cast<vla_value_type*>(_this() + 1);
+  }
+
+  // Note: can't be constexpr because of reinterpret_cast
+  KOKKOS_FORCEINLINE_FUNCTION
+  /* KOKKOS_CONSTEXPR_14 */
+  vla_value_type const* _vla_pointer() const noexcept {
+    // The data starts right after the aligned storage of Derived
+    return reinterpret_cast<vla_value_type const*>(_this() + 1);
+  }
+
+public:
+
+  KOKKOS_INLINE_FUNCTION
+  static /* KOKKOS_CONSTEXPR_14 */ size_t
+  required_allocation_size(vla_entry_count_type num_vla_entries) {
+    KOKKOS_EXPECTS(num_vla_entries >= 0);
+    return sizeof(Derived) + num_vla_entries * sizeof(VLAValueType);
+  }
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Constructors, destructor, and assignment"> {{{2
+
+  // TODO @tasking @optimization DSH specialization for trivially constructible VLAValueType?
+  // TODO @tasking @minor DSH SFINAE-out this constructor for non-default contructible vla_value_types
+  KOKKOS_INLINE_FUNCTION
+  explicit
+  ObjectWithVLAEmulation(vla_entry_count_type num_entries)
+    noexcept(noexcept(vla_value_type()))
+    : m_num_entries(num_entries)
+  {
+    // Note: We can't do this at class scope because it unnecessarily requires
+    // object_type to be a complete type
+    static_assert(
+      alignof(object_type) >= alignof(vla_value_type),
+      "Can't append emulated variable length array of type with greater alignment than"
+      "  the type to which the VLA is being appended"
+    );
+
+    // Note: We can't do this at class scope because it unnecessarily requires
+    // vla_value_type to be a complete type
+    static_assert(
+      not std::is_abstract<vla_value_type>::value,
+      "Can't use abstract type with VLA emulation"
+    );
+
+    KOKKOS_EXPECTS(num_entries >= 0);
+    for(vla_entry_count_type i = 0; i < m_num_entries; ++i) {
+      new (_vla_pointer() + i) vla_value_type();
+    }
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  ~ObjectWithVLAEmulation()
+    noexcept(noexcept(std::declval<vla_value_type>().~vla_value_type()))
+  {
+    for(auto&& value : *this) { value.~vla_value_type(); }
+  }
+
+  // TODO @tasking @new_feature DSH constrained analogs for move and copy ctors and assignment ops
+  // TODO @tasking @new_feature DSH forwarding in_place constructor
+  // TODO @tasking @new_feature DSH initializer_list constructor?
+
+  // </editor-fold> end Constructors, destructor, and assignment }}}2
+  //----------------------------------------------------------------------------
+
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr EntryCountType n_vla_entries() const noexcept { return m_num_entries; }
+
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Accessing the object and the VLA values"> {{{2
+
+  KOKKOS_INLINE_FUNCTION
+  object_type& object() & { return static_cast<Derived&>(*this); }
+
+  KOKKOS_INLINE_FUNCTION
+  object_type const& object() const & { return static_cast<Derived const&>(*this); }
+
+  KOKKOS_INLINE_FUNCTION
+  object_type&& object() && { return static_cast<Derived&&>(*this); }
+
+
+  KOKKOS_INLINE_FUNCTION
+  vla_value_type& vla_value_at(vla_entry_count_type n) &
+  {
+    KOKKOS_EXPECTS(n < n_vla_entries());
+    return _vla_pointer()[n];
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  vla_value_type const& vla_value_at(vla_entry_count_type n) const &
+  {
+    KOKKOS_EXPECTS(n < n_vla_entries());
+    return _vla_pointer()[n];
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  vla_value_type& vla_value_at(vla_entry_count_type n) &&
+  {
+    KOKKOS_EXPECTS(n < n_vla_entries());
+    return _vla_pointer()[n];
+  }
+
+  // </editor-fold> end Accessing the object and the VLA values }}}2
+  //----------------------------------------------------------------------------
+
+
+  //----------------------------------------------------------------------------
+  // <editor-fold desc="Iterators"> {{{2
+
+  KOKKOS_INLINE_FUNCTION
+  iterator begin() noexcept { return _vla_pointer(); }
+
+  KOKKOS_INLINE_FUNCTION
+  const_iterator begin() const noexcept { return _vla_pointer(); }
+
+  KOKKOS_INLINE_FUNCTION
+  const_iterator cbegin() noexcept { return _vla_pointer(); }
+
+  KOKKOS_INLINE_FUNCTION
+  iterator end() noexcept { return _vla_pointer() + m_num_entries; }
+
+  KOKKOS_INLINE_FUNCTION
+  const_iterator end() const noexcept { return _vla_pointer() + m_num_entries; }
+
+  KOKKOS_INLINE_FUNCTION
+  const_iterator cend() noexcept { return _vla_pointer() + m_num_entries; }
+
+  // </editor-fold> end Iterators }}}2
+  //----------------------------------------------------------------------------
+
+};
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #if defined( KOKKOS_ENABLE_TASKDAG ) */
+#endif /* #ifndef KOKKOS_IMPL_VLAEMULATION_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
index e1539d10b06335b20bf35a26e54228d380af1585..07774da27915f94664268f76471a728890888ca7 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
@@ -367,6 +367,8 @@ public:
 
   // Can only convert to View::array_type
 
+  enum { is_assignable_data_type = std::is_same< typename DstTraits::data_type ,    typename SrcTraits::scalar_array_type >::value &&
+                                   (DstTraits::rank==SrcTraits::rank+1)};
   enum { is_assignable = std::is_same< typename DstTraits::data_type ,    typename SrcTraits::scalar_array_type >::value &&
                          std::is_same< typename DstTraits::array_layout , typename SrcTraits::array_layout >::value };
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
index 773f3362815f3e681315d598435291584e80bb98..b2d8dea20acc398f9e480116e1069e62e26d7d78 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
@@ -50,6 +50,7 @@
 #include <Kokkos_Core_fwd.hpp>
 #include <Kokkos_Pair.hpp>
 #include <Kokkos_Layout.hpp>
+#include <Kokkos_Extents.hpp>
 #include <impl/Kokkos_Error.hpp>
 #include <impl/Kokkos_Traits.hpp>
 #include <impl/Kokkos_ViewCtor.hpp>
@@ -275,7 +276,7 @@ struct ALL_t {
   constexpr const ALL_t & operator()() const { return *this ; }
 
   KOKKOS_INLINE_FUNCTION
-  constexpr bool operator == ( const ALL_t & right) const { return true;}
+  constexpr bool operator == ( const ALL_t & ) const { return true;}
 };
 
 }} // namespace Kokkos::Impl
@@ -1548,7 +1549,7 @@ struct ViewOffset< Dimension , Kokkos::LayoutRight
   template< class DimRHS >
   KOKKOS_INLINE_FUNCTION
   constexpr ViewOffset
-    ( const ViewOffset< DimRHS , Kokkos::LayoutRight , void > & rhs
+    ( const ViewOffset< DimRHS , Kokkos::LayoutRight , void > &
     , const SubviewExtents< DimRHS::rank , dimension_type::rank > & sub
     )
     : m_dim( sub.range_extent(0) , 0, 0, 0, 0, 0, 0, 0 )
@@ -2319,7 +2320,7 @@ struct ViewDataHandle< Traits ,
                             &&
                             std::is_same< typename Traits::specialize , void >::value
                             &&
-                            Traits::memory_traits::Atomic
+                            Traits::memory_traits::is_atomic
                           )>::type >
 {
   typedef typename Traits::value_type  value_type ;
@@ -2348,16 +2349,16 @@ struct ViewDataHandle< Traits ,
   typename std::enable_if<(
                             std::is_same< typename Traits::specialize , void >::value
                             &&
-                            (!Traits::memory_traits::Aligned)
+                            (!Traits::memory_traits::is_aligned)
                             &&
-                            Traits::memory_traits::Restrict
+                            Traits::memory_traits::is_restrict
 #ifdef KOKKOS_ENABLE_CUDA
                             &&
                             (!( std::is_same< typename Traits::memory_space,Kokkos::CudaSpace>::value ||
                                 std::is_same< typename Traits::memory_space,Kokkos::CudaUVMSpace>::value ))
 #endif
                             &&
-                            (!Traits::memory_traits::Atomic)
+                            (!Traits::memory_traits::is_atomic)
                           )>::type >
 {
   typedef typename Traits::value_type  value_type ;
@@ -2366,17 +2367,17 @@ struct ViewDataHandle< Traits ,
   typedef Kokkos::Impl::SharedAllocationTracker  track_type  ;
 
   KOKKOS_INLINE_FUNCTION
-  static handle_type assign( value_type * arg_data_ptr
+  static value_type* assign( value_type * arg_data_ptr
                            , track_type const & /*arg_tracker*/ )
   {
-    return handle_type( arg_data_ptr );
+    return (value_type*)( arg_data_ptr );
   }
 
   KOKKOS_INLINE_FUNCTION
-  static handle_type assign( handle_type const arg_data_ptr
+  static value_type* assign( handle_type const arg_data_ptr
                            , size_t offset )
   {
-    return handle_type( arg_data_ptr + offset );
+    return (value_type*)( arg_data_ptr + offset );
   }
 };
 
@@ -2385,16 +2386,16 @@ struct ViewDataHandle< Traits ,
   typename std::enable_if<(
                             std::is_same< typename Traits::specialize , void >::value
                             &&
-                            Traits::memory_traits::Aligned
+                            Traits::memory_traits::is_aligned
 			    &&
-                            (!Traits::memory_traits::Restrict)
+                            (!Traits::memory_traits::is_restrict)
 #ifdef KOKKOS_ENABLE_CUDA
                             &&
                             (!( std::is_same< typename Traits::memory_space,Kokkos::CudaSpace>::value ||
                                 std::is_same< typename Traits::memory_space,Kokkos::CudaUVMSpace>::value ))
 #endif
                             &&
-                            (!Traits::memory_traits::Atomic)
+                            (!Traits::memory_traits::is_atomic)
                           )>::type >
 {
   typedef typename Traits::value_type  value_type ;
@@ -2428,16 +2429,16 @@ struct ViewDataHandle< Traits ,
   typename std::enable_if<(
                             std::is_same< typename Traits::specialize , void >::value
                             &&
-                            Traits::memory_traits::Aligned
+                            Traits::memory_traits::is_aligned
                             &&
-                            Traits::memory_traits::Restrict
+                            Traits::memory_traits::is_restrict
 #ifdef KOKKOS_ENABLE_CUDA
                             &&
                             (!( std::is_same< typename Traits::memory_space,Kokkos::CudaSpace>::value ||
                                 std::is_same< typename Traits::memory_space,Kokkos::CudaUVMSpace>::value ))
 #endif
                             &&
-                            (!Traits::memory_traits::Atomic)
+                            (!Traits::memory_traits::is_atomic)
                           )>::type >
 {
   typedef typename Traits::value_type  value_type ;
@@ -2446,23 +2447,23 @@ struct ViewDataHandle< Traits ,
   typedef Kokkos::Impl::SharedAllocationTracker  track_type  ;
 
   KOKKOS_INLINE_FUNCTION
-  static handle_type assign( value_type * arg_data_ptr
+  static value_type* assign( value_type * arg_data_ptr
                            , track_type const & /*arg_tracker*/ )
   {
     if ( reinterpret_cast<uintptr_t>(arg_data_ptr) % Impl::MEMORY_ALIGNMENT ) {
       Kokkos::abort("Assigning NonAligned View or Pointer to Kokkos::View with Aligned attribute");
     }
-    return handle_type( arg_data_ptr );
+    return (value_type*)( arg_data_ptr );
   }
 
   KOKKOS_INLINE_FUNCTION
-  static handle_type assign( handle_type const arg_data_ptr
+  static value_type* assign( handle_type const arg_data_ptr
                            , size_t offset )
   {
     if ( reinterpret_cast<uintptr_t>(arg_data_ptr+offset) % Impl::MEMORY_ALIGNMENT ) {
       Kokkos::abort("Assigning NonAligned View or Pointer to Kokkos::View with Aligned attribute");
     }
-    return handle_type( arg_data_ptr + offset );
+    return (value_type*)( arg_data_ptr + offset );
   }
 };
 }} // namespace Kokkos::Impl
@@ -2955,7 +2956,8 @@ private:
     };
 
 public:
-
+  enum { is_assignable_data_type = is_assignable_value_type &&
+                                   is_assignable_dimension };
   enum { is_assignable = is_assignable_space &&
                          is_assignable_value_type &&
                          is_assignable_dimension &&
@@ -3052,7 +3054,8 @@ private:
                            , typename SrcTraits::dimension >::value };
 
 public:
-
+  enum { is_assignable_data_type = is_assignable_value_type &&
+                                   is_assignable_dimension };
   enum { is_assignable = is_assignable_space &&
                          is_assignable_value_type &&
                          is_assignable_dimension };
@@ -3062,7 +3065,7 @@ public:
   typedef ViewMapping< SrcTraits , void >  SrcType ;
 
   KOKKOS_INLINE_FUNCTION
-  static bool assignable_layout_check(DstType & dst, const SrcType & src) //Runtime check
+  static bool assignable_layout_check(DstType &, const SrcType & src) //Runtime check
     {
       size_t strides[9];
       bool assignable = true;
@@ -3134,6 +3137,73 @@ public:
 // Subview mapping.
 // Deduce destination view type from source view traits and subview arguments
 
+template <class, class ValueType, class Exts, class... Args>
+struct SubViewDataTypeImpl;
+
+/* base case */
+template <class ValueType>
+struct SubViewDataTypeImpl<
+  void,
+  ValueType,
+  Experimental::Extents<>
+>
+{ using type = ValueType; };
+
+/* for integral args, subview doesn't have that dimension */
+template <class ValueType, ptrdiff_t Ext, ptrdiff_t... Exts, class Integral, class... Args>
+struct SubViewDataTypeImpl<
+  typename std::enable_if<std::is_integral<typename std::decay<Integral>::type>::value>::type,
+  ValueType,
+  Experimental::Extents<Ext, Exts...>,
+  Integral, Args...
+> : SubViewDataTypeImpl<
+      void, ValueType,
+      Experimental::Extents<Exts...>,
+      Args...
+    >
+{ };
+
+
+/* for ALL slice, subview has the same dimension */
+template <class ValueType, ptrdiff_t Ext, ptrdiff_t... Exts, class... Args>
+struct SubViewDataTypeImpl<
+  void,
+  ValueType,
+  Experimental::Extents<Ext, Exts...>,
+  ALL_t, Args...
+> : SubViewDataTypeImpl<
+      void, typename ApplyExtent<ValueType, Ext>::type,
+      Experimental::Extents<Exts...>,
+      Args...
+    >
+{ };
+
+
+/* for pair-style slice, subview has dynamic dimension, since pair doesn't give static sizes */
+/* Since we don't allow interleaving of dynamic and static extents, make all of the dimensions to the left dynamic  */
+template <class ValueType, ptrdiff_t Ext, ptrdiff_t... Exts, class PairLike, class... Args>
+struct SubViewDataTypeImpl<
+  typename std::enable_if<is_pair_like<PairLike>::value>::type,
+  ValueType,
+  Experimental::Extents<Ext, Exts...>,
+  PairLike, Args...
+> : SubViewDataTypeImpl<
+      void, typename make_all_extents_into_pointers<ValueType>::type*,
+      Experimental::Extents<Exts...>,
+      Args...
+    >
+{ };
+
+
+template <class ValueType, class Exts, class... Args>
+struct SubViewDataType
+  : SubViewDataTypeImpl<
+      void, ValueType, Exts, Args...
+    >
+{ };
+
+//----------------------------------------------------------------------------
+
 template< class SrcTraits , class ... Args >
 struct ViewMapping
   < typename std::enable_if<(
@@ -3201,17 +3271,25 @@ private:
 
   typedef typename SrcTraits::value_type  value_type ;
 
-  typedef typename std::conditional< rank == 0 , value_type ,
-          typename std::conditional< rank == 1 , value_type * ,
-          typename std::conditional< rank == 2 , value_type ** ,
-          typename std::conditional< rank == 3 , value_type *** ,
-          typename std::conditional< rank == 4 , value_type **** ,
-          typename std::conditional< rank == 5 , value_type ***** ,
-          typename std::conditional< rank == 6 , value_type ****** ,
-          typename std::conditional< rank == 7 , value_type ******* ,
-                                                 value_type ********
-          >::type >::type >::type >::type >::type >::type >::type >::type
-     data_type ;
+  using data_type =
+    typename SubViewDataType<
+      value_type,
+      typename Kokkos::Impl::ParseViewExtents<
+        typename SrcTraits::data_type
+      >::type,
+      Args...
+    >::type;
+  //typedef typename std::conditional< rank == 0 , value_type ,
+  //        typename std::conditional< rank == 1 , value_type * ,
+  //        typename std::conditional< rank == 2 , value_type ** ,
+  //        typename std::conditional< rank == 3 , value_type *** ,
+  //        typename std::conditional< rank == 4 , value_type **** ,
+  //        typename std::conditional< rank == 5 , value_type ***** ,
+  //        typename std::conditional< rank == 6 , value_type ****** ,
+  //        typename std::conditional< rank == 7 , value_type ******* ,
+  //                                               value_type ********
+  //        >::type >::type >::type >::type >::type >::type >::type >::type
+  //   data_type ;
 
 public:
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
index 716b9ceca5389b3fe64ae9ed6ee2549260932589..a8645db451c6ff5831bf331cdf327cdd89547056 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
@@ -50,6 +50,9 @@
 namespace Kokkos {
 namespace Impl {
 
+// ===========================================================================
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+
 // View mapping for rank two tiled array
 
 template< class L >
@@ -208,11 +211,17 @@ struct ViewMapping
     }
 };
 
+#endif // KOKKOS_ENABLE_DEPRECATED_CODE
+// ===============================================================================
+
 } /* namespace Impl */
 } /* namespace Kokkos */
 
 namespace Kokkos {
 
+// ==============================================================================
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+
 template< typename T , unsigned N0 , unsigned N1 , class ... P >
 KOKKOS_INLINE_FUNCTION
 Kokkos::View< T[N0][N1] , LayoutLeft , P... >
@@ -229,6 +238,9 @@ tile_subview( const Kokkos::View<T**,Kokkos::LayoutTileLeft<N0,N1,true>,P...> &
     ( src , SrcLayout() , i_tile0 , i_tile1 );
 }
 
+#endif // KOKKOS_ENABLE_DEPRECATED_CODE
+// ===============================================================================
+
 } /* namespace Kokkos */
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/core/unit_test/CMakeLists.txt b/lib/kokkos/core/unit_test/CMakeLists.txt
index fad4e1d45eaca26f3a030de87a81cabafd5fa108..6a480daa8d4ea3c13b3826fbe9a3afb8acefec06 100644
--- a/lib/kokkos/core/unit_test/CMakeLists.txt
+++ b/lib/kokkos/core/unit_test/CMakeLists.txt
@@ -11,6 +11,7 @@ IF(NOT KOKKOS_HAS_TRILINOS)
 ENDIF()
 
 SET(GTEST_SOURCE_DIR ${${PARENT_PACKAGE_NAME}_SOURCE_DIR}/tpls/gtest)
+# TODO get the C++ standard flag from KOKKOS_CXX_STANDARD
 SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DGTEST_HAS_PTHREAD=0")
 
 INCLUDE_DIRECTORIES(${GTEST_SOURCE_DIR})
@@ -21,6 +22,17 @@ TRIBITS_ADD_LIBRARY(
   TESTONLY
   )
 
+IF(NOT KOKKOS_HAS_TRILINOS)
+target_compile_options(
+  kokkos_gtest
+  PUBLIC $<$<COMPILE_LANGUAGE:CXX>:${KOKKOS_CXX_FLAGS}>
+)
+target_link_libraries(
+  kokkos_gtest
+  PUBLIC ${KOKKOS_LD_FLAGS}
+)
+ENDIF()
+
 #
 # Define the tests
 #
@@ -29,69 +41,212 @@ INCLUDE_DIRECTORIES(${CMAKE_CURRENT_BINARY_DIR})
 INCLUDE_DIRECTORIES(REQUIRED_DURING_INSTALLATION_TESTING ${CMAKE_CURRENT_SOURCE_DIR})
 
 IF(Kokkos_ENABLE_Serial)
-  TRIBITS_ADD_EXECUTABLE_AND_TEST(
-    UnitTest_Serial
-    SOURCES
-      UnitTestMainInit.cpp
-      serial/TestSerial_AtomicOperations_int.cpp
-      serial/TestSerial_AtomicOperations_unsignedint.cpp
-      serial/TestSerial_AtomicOperations_longint.cpp
-      serial/TestSerial_AtomicOperations_unsignedlongint.cpp
-      serial/TestSerial_AtomicOperations_longlongint.cpp
-      serial/TestSerial_AtomicOperations_double.cpp
-      serial/TestSerial_AtomicOperations_float.cpp
-      serial/TestSerial_AtomicViews.cpp
-      serial/TestSerial_Atomics.cpp
-      serial/TestSerial_Complex.cpp
-      serial/TestSerial_Init.cpp
-      serial/TestSerial_MDRange_a.cpp
-      serial/TestSerial_MDRange_b.cpp
-      serial/TestSerial_MDRange_c.cpp
-      serial/TestSerial_MDRange_d.cpp
-      serial/TestSerial_MDRange_e.cpp
-      serial/TestSerial_Other.cpp
-      serial/TestSerial_RangePolicy.cpp
-      serial/TestSerial_Reductions.cpp
-      serial/TestSerial_Reducers_a.cpp
-      serial/TestSerial_Reducers_b.cpp
-      serial/TestSerial_Reducers_c.cpp
-      serial/TestSerial_Reducers_d.cpp
-      serial/TestSerial_Scan.cpp
-      serial/TestSerial_SharedAlloc.cpp
-      serial/TestSerial_SubView_a.cpp
-      serial/TestSerial_SubView_b.cpp
-      serial/TestSerial_SubView_c01.cpp
-      serial/TestSerial_SubView_c02.cpp
-      serial/TestSerial_SubView_c03.cpp
-      serial/TestSerial_SubView_c04.cpp
-      serial/TestSerial_SubView_c05.cpp
-      serial/TestSerial_SubView_c06.cpp
-      serial/TestSerial_SubView_c07.cpp
-      serial/TestSerial_SubView_c08.cpp
-      serial/TestSerial_SubView_c09.cpp
-      serial/TestSerial_SubView_c10.cpp
-      serial/TestSerial_SubView_c11.cpp
-      serial/TestSerial_SubView_c12.cpp
-      serial/TestSerial_SubView_c13.cpp
-      serial/TestSerial_Team.cpp
-      serial/TestSerial_TeamReductionScan.cpp
-      serial/TestSerial_TeamScratch.cpp
-      serial/TestSerial_ViewAPI_a.cpp
-      serial/TestSerial_ViewAPI_b.cpp
-      serial/TestSerial_ViewAPI_c.cpp
-      serial/TestSerial_ViewAPI_d.cpp
-      serial/TestSerial_ViewAPI_e.cpp
-      serial/TestSerial_ViewMapping_a.cpp
-      serial/TestSerial_ViewMapping_b.cpp
-      serial/TestSerial_ViewMapping_subview.cpp
-      serial/TestSerial_ViewOfClass.cpp
-      serial/TestSerial_Crs.cpp
-      serial/TestSerial_WorkGraph.cpp
-    COMM serial mpi
-    NUM_MPI_PROCS 1
-    FAIL_REGULAR_EXPRESSION "  FAILED  "
-    TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
-  )
+  IF(KOKKOS_SEPARATE_TESTS)
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_Atomics
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_AtomicOperations_int.cpp
+        serial/TestSerial_AtomicOperations_unsignedint.cpp
+        serial/TestSerial_AtomicOperations_longint.cpp
+        serial/TestSerial_AtomicOperations_unsignedlongint.cpp
+        serial/TestSerial_AtomicOperations_longlongint.cpp
+        serial/TestSerial_AtomicOperations_double.cpp
+        serial/TestSerial_AtomicOperations_float.cpp
+        serial/TestSerial_AtomicOperations_complexdouble.cpp
+        serial/TestSerial_AtomicOperations_complexfloat.cpp
+        serial/TestSerial_AtomicViews.cpp
+        serial/TestSerial_Atomics.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_SubView
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_SubView_a.cpp
+        serial/TestSerial_SubView_b.cpp
+        serial/TestSerial_SubView_c01.cpp
+        serial/TestSerial_SubView_c02.cpp
+        serial/TestSerial_SubView_c03.cpp
+        serial/TestSerial_SubView_c04.cpp
+        serial/TestSerial_SubView_c05.cpp
+        serial/TestSerial_SubView_c06.cpp
+        serial/TestSerial_SubView_c07.cpp
+        serial/TestSerial_SubView_c08.cpp
+        serial/TestSerial_SubView_c09.cpp
+        serial/TestSerial_SubView_c10.cpp
+        serial/TestSerial_SubView_c11.cpp
+        serial/TestSerial_SubView_c12.cpp
+        serial/TestSerial_SubView_c13.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_ViewAPI
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_ViewAPI_a.cpp
+        serial/TestSerial_ViewAPI_b.cpp
+        serial/TestSerial_ViewAPI_c.cpp
+        serial/TestSerial_ViewAPI_d.cpp
+        serial/TestSerial_ViewAPI_e.cpp
+        serial/TestSerial_ViewOfClass.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_ViewMapping
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_ViewMapping_a.cpp
+        serial/TestSerial_ViewMapping_b.cpp
+        serial/TestSerial_ViewMapping_subview.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_Reducers
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_Reductions.cpp
+        serial/TestSerial_Reducers_a.cpp
+        serial/TestSerial_Reducers_b.cpp
+        serial/TestSerial_Reducers_c.cpp
+        serial/TestSerial_Reducers_d.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_MDRange
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_MDRange_a.cpp
+        serial/TestSerial_MDRange_b.cpp
+        serial/TestSerial_MDRange_c.cpp
+        serial/TestSerial_MDRange_d.cpp
+        serial/TestSerial_MDRange_e.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_Team
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_Team.cpp
+        serial/TestSerial_TeamReductionScan.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_Tasking
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_Task.cpp
+        serial/TestSerial_WorkGraph.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial_Misc
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_Complex.cpp
+        serial/TestSerial_Init.cpp
+        serial/TestSerial_Other.cpp
+        serial/TestSerial_RangePolicy.cpp
+        serial/TestSerial_Scan.cpp
+        serial/TestSerial_SharedAlloc.cpp
+        serial/TestSerial_Crs.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+  ELSE()
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_Serial
+      SOURCES
+        UnitTestMainInit.cpp
+        serial/TestSerial_AtomicOperations_int.cpp
+        serial/TestSerial_AtomicOperations_unsignedint.cpp
+        serial/TestSerial_AtomicOperations_longint.cpp
+        serial/TestSerial_AtomicOperations_unsignedlongint.cpp
+        serial/TestSerial_AtomicOperations_longlongint.cpp
+        serial/TestSerial_AtomicOperations_double.cpp
+        serial/TestSerial_AtomicOperations_float.cpp
+        serial/TestSerial_AtomicOperations_complexdouble.cpp
+        serial/TestSerial_AtomicOperations_complexfloat.cpp
+        serial/TestSerial_AtomicViews.cpp
+        serial/TestSerial_Atomics.cpp
+        serial/TestSerial_Complex.cpp
+        serial/TestSerial_Init.cpp
+        serial/TestSerial_MDRange_a.cpp
+        serial/TestSerial_MDRange_b.cpp
+        serial/TestSerial_MDRange_c.cpp
+        serial/TestSerial_MDRange_d.cpp
+        serial/TestSerial_MDRange_e.cpp
+        serial/TestSerial_Other.cpp
+        serial/TestSerial_RangePolicy.cpp
+        serial/TestSerial_Reductions.cpp
+        serial/TestSerial_Reducers_a.cpp
+        serial/TestSerial_Reducers_b.cpp
+        serial/TestSerial_Reducers_c.cpp
+        serial/TestSerial_Reducers_d.cpp
+        serial/TestSerial_Scan.cpp
+        serial/TestSerial_SharedAlloc.cpp
+        serial/TestSerial_SubView_a.cpp
+        serial/TestSerial_SubView_b.cpp
+        serial/TestSerial_SubView_c01.cpp
+        serial/TestSerial_SubView_c02.cpp
+        serial/TestSerial_SubView_c03.cpp
+        serial/TestSerial_SubView_c04.cpp
+        serial/TestSerial_SubView_c05.cpp
+        serial/TestSerial_SubView_c06.cpp
+        serial/TestSerial_SubView_c07.cpp
+        serial/TestSerial_SubView_c08.cpp
+        serial/TestSerial_SubView_c09.cpp
+        serial/TestSerial_SubView_c10.cpp
+        serial/TestSerial_SubView_c11.cpp
+        serial/TestSerial_SubView_c12.cpp
+        serial/TestSerial_SubView_c13.cpp
+        serial/TestSerial_Task.cpp
+        serial/TestSerial_Team.cpp
+        serial/TestSerial_TeamReductionScan.cpp
+        serial/TestSerial_TeamScratch.cpp
+        serial/TestSerial_ViewAPI_a.cpp
+        serial/TestSerial_ViewAPI_b.cpp
+        serial/TestSerial_ViewAPI_c.cpp
+        serial/TestSerial_ViewAPI_d.cpp
+        serial/TestSerial_ViewAPI_e.cpp
+        serial/TestSerial_ViewMapping_a.cpp
+        serial/TestSerial_ViewMapping_b.cpp
+        serial/TestSerial_ViewMapping_subview.cpp
+        serial/TestSerial_ViewOfClass.cpp
+        serial/TestSerial_Crs.cpp
+        serial/TestSerial_WorkGraph.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+  ENDIF()
 ENDIF()
 
 IF(Kokkos_ENABLE_Pthread)
@@ -106,6 +261,8 @@ IF(Kokkos_ENABLE_Pthread)
       threads/TestThreads_AtomicOperations_longlongint.cpp
       threads/TestThreads_AtomicOperations_double.cpp
       threads/TestThreads_AtomicOperations_float.cpp
+      threads/TestThreads_AtomicOperations_complexdouble.cpp
+      threads/TestThreads_AtomicOperations_complexfloat.cpp
       threads/TestThreads_AtomicViews.cpp
       threads/TestThreads_Atomics.cpp
       threads/TestThreads_Complex.cpp
@@ -161,75 +318,305 @@ IF(Kokkos_ENABLE_Pthread)
 ENDIF()
 
 IF(Kokkos_ENABLE_OpenMP)
+  IF(KOKKOS_SEPARATE_TESTS)
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_Atomics
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_AtomicOperations_int.cpp
+        openmp/TestOpenMP_AtomicOperations_unsignedint.cpp
+        openmp/TestOpenMP_AtomicOperations_longint.cpp
+        openmp/TestOpenMP_AtomicOperations_unsignedlongint.cpp
+        openmp/TestOpenMP_AtomicOperations_longlongint.cpp
+        openmp/TestOpenMP_AtomicOperations_double.cpp
+        openmp/TestOpenMP_AtomicOperations_float.cpp
+        openmp/TestOpenMP_AtomicOperations_complexdouble.cpp
+        openmp/TestOpenMP_AtomicOperations_complexfloat.cpp
+        openmp/TestOpenMP_AtomicViews.cpp
+        openmp/TestOpenMP_Atomics.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_SubView
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_SubView_a.cpp
+        openmp/TestOpenMP_SubView_b.cpp
+        openmp/TestOpenMP_SubView_c01.cpp
+        openmp/TestOpenMP_SubView_c02.cpp
+        openmp/TestOpenMP_SubView_c03.cpp
+        openmp/TestOpenMP_SubView_c04.cpp
+        openmp/TestOpenMP_SubView_c05.cpp
+        openmp/TestOpenMP_SubView_c06.cpp
+        openmp/TestOpenMP_SubView_c07.cpp
+        openmp/TestOpenMP_SubView_c08.cpp
+        openmp/TestOpenMP_SubView_c09.cpp
+        openmp/TestOpenMP_SubView_c10.cpp
+        openmp/TestOpenMP_SubView_c11.cpp
+        openmp/TestOpenMP_SubView_c12.cpp
+        openmp/TestOpenMP_SubView_c13.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_ViewAPI
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_ViewAPI_a.cpp
+        openmp/TestOpenMP_ViewAPI_b.cpp
+        openmp/TestOpenMP_ViewAPI_c.cpp
+        openmp/TestOpenMP_ViewAPI_d.cpp
+        openmp/TestOpenMP_ViewAPI_e.cpp
+        openmp/TestOpenMP_ViewOfClass.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_ViewMapping
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_ViewMapping_a.cpp
+        openmp/TestOpenMP_ViewMapping_b.cpp
+        openmp/TestOpenMP_ViewMapping_subview.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_Reducers
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_Reductions.cpp
+        openmp/TestOpenMP_Reducers_a.cpp
+        openmp/TestOpenMP_Reducers_b.cpp
+        openmp/TestOpenMP_Reducers_c.cpp
+        openmp/TestOpenMP_Reducers_d.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_MDRange
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_MDRange_a.cpp
+        openmp/TestOpenMP_MDRange_b.cpp
+        openmp/TestOpenMP_MDRange_c.cpp
+        openmp/TestOpenMP_MDRange_d.cpp
+        openmp/TestOpenMP_MDRange_e.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_Team
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_Team.cpp
+        openmp/TestOpenMP_TeamReductionScan.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_Tasking
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_Task.cpp
+        openmp/TestOpenMP_WorkGraph.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP_Misc
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_Complex.cpp
+        openmp/TestOpenMP_Init.cpp
+        openmp/TestOpenMP_Other.cpp
+        openmp/TestOpenMP_RangePolicy.cpp
+        openmp/TestOpenMP_Scan.cpp
+        openmp/TestOpenMP_SharedAlloc.cpp
+        openmp/TestOpenMP_Crs.cpp
+        openmp/TestOpenMP_UniqueToken.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMPInterOp
+      SOURCES
+        UnitTestMain.cpp
+        openmp/TestOpenMP_InterOp.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+  ELSE()
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMP
+      SOURCES
+        UnitTestMainInit.cpp
+        openmp/TestOpenMP_AtomicOperations_int.cpp
+        openmp/TestOpenMP_AtomicOperations_unsignedint.cpp
+        openmp/TestOpenMP_AtomicOperations_longint.cpp
+        openmp/TestOpenMP_AtomicOperations_unsignedlongint.cpp
+        openmp/TestOpenMP_AtomicOperations_longlongint.cpp
+        openmp/TestOpenMP_AtomicOperations_double.cpp
+        openmp/TestOpenMP_AtomicOperations_float.cpp
+        openmp/TestOpenMP_AtomicOperations_complexdouble.cpp
+        openmp/TestOpenMP_AtomicOperations_complexfloat.cpp
+        openmp/TestOpenMP_AtomicViews.cpp
+        openmp/TestOpenMP_Atomics.cpp
+        openmp/TestOpenMP_Complex.cpp
+        openmp/TestOpenMP_Init.cpp
+        openmp/TestOpenMP_MDRange_a.cpp
+        openmp/TestOpenMP_MDRange_b.cpp
+        openmp/TestOpenMP_MDRange_c.cpp
+        openmp/TestOpenMP_MDRange_d.cpp
+        openmp/TestOpenMP_MDRange_e.cpp
+        openmp/TestOpenMP_Other.cpp
+        openmp/TestOpenMP_RangePolicy.cpp
+        openmp/TestOpenMP_Reductions.cpp
+        openmp/TestOpenMP_Reducers_a.cpp
+        openmp/TestOpenMP_Reducers_b.cpp
+        openmp/TestOpenMP_Reducers_c.cpp
+        openmp/TestOpenMP_Reducers_d.cpp
+        openmp/TestOpenMP_Scan.cpp
+        openmp/TestOpenMP_SharedAlloc.cpp
+        openmp/TestOpenMP_SubView_a.cpp
+        openmp/TestOpenMP_SubView_b.cpp
+        openmp/TestOpenMP_SubView_c01.cpp
+        openmp/TestOpenMP_SubView_c02.cpp
+        openmp/TestOpenMP_SubView_c03.cpp
+        openmp/TestOpenMP_SubView_c04.cpp
+        openmp/TestOpenMP_SubView_c05.cpp
+        openmp/TestOpenMP_SubView_c06.cpp
+        openmp/TestOpenMP_SubView_c07.cpp
+        openmp/TestOpenMP_SubView_c08.cpp
+        openmp/TestOpenMP_SubView_c09.cpp
+        openmp/TestOpenMP_SubView_c10.cpp
+        openmp/TestOpenMP_SubView_c11.cpp
+        openmp/TestOpenMP_SubView_c12.cpp
+        openmp/TestOpenMP_SubView_c13.cpp
+        openmp/TestOpenMP_Task.cpp
+        openmp/TestOpenMP_Team.cpp
+        openmp/TestOpenMP_TeamReductionScan.cpp
+        openmp/TestOpenMP_ViewAPI_a.cpp
+        openmp/TestOpenMP_ViewAPI_b.cpp
+        openmp/TestOpenMP_ViewAPI_c.cpp
+        openmp/TestOpenMP_ViewAPI_d.cpp
+        openmp/TestOpenMP_ViewAPI_e.cpp
+        openmp/TestOpenMP_ViewMapping_a.cpp
+        openmp/TestOpenMP_ViewMapping_b.cpp
+        openmp/TestOpenMP_ViewMapping_subview.cpp
+        openmp/TestOpenMP_ViewOfClass.cpp
+        openmp/TestOpenMP_Crs.cpp
+        openmp/TestOpenMP_WorkGraph.cpp
+        openmp/TestOpenMP_UniqueToken.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+    TRIBITS_ADD_EXECUTABLE_AND_TEST(
+      UnitTest_OpenMPInterOp
+      SOURCES
+        UnitTestMain.cpp
+        openmp/TestOpenMP_InterOp.cpp
+      COMM serial mpi
+      NUM_MPI_PROCS 1
+      FAIL_REGULAR_EXPRESSION "  FAILED  "
+      TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+    )
+  ENDIF()
+ENDIF()
+
+IF(Kokkos_ENABLE_HPX)
   TRIBITS_ADD_EXECUTABLE_AND_TEST(
-    UnitTest_OpenMP
+    UnitTest_HPX
     SOURCES
       UnitTestMainInit.cpp
-      openmp/TestOpenMP_AtomicOperations_int.cpp
-      openmp/TestOpenMP_AtomicOperations_unsignedint.cpp
-      openmp/TestOpenMP_AtomicOperations_longint.cpp
-      openmp/TestOpenMP_AtomicOperations_unsignedlongint.cpp
-      openmp/TestOpenMP_AtomicOperations_longlongint.cpp
-      openmp/TestOpenMP_AtomicOperations_double.cpp
-      openmp/TestOpenMP_AtomicOperations_float.cpp
-      openmp/TestOpenMP_AtomicViews.cpp
-      openmp/TestOpenMP_Atomics.cpp
-      openmp/TestOpenMP_Complex.cpp
-      openmp/TestOpenMP_Init.cpp
-      openmp/TestOpenMP_MDRange_a.cpp
-      openmp/TestOpenMP_MDRange_b.cpp
-      openmp/TestOpenMP_MDRange_c.cpp
-      openmp/TestOpenMP_MDRange_d.cpp
-      openmp/TestOpenMP_MDRange_e.cpp
-      openmp/TestOpenMP_Other.cpp
-      openmp/TestOpenMP_RangePolicy.cpp
-      openmp/TestOpenMP_Reductions.cpp
-      openmp/TestOpenMP_Reducers_a.cpp
-      openmp/TestOpenMP_Reducers_b.cpp
-      openmp/TestOpenMP_Reducers_c.cpp
-      openmp/TestOpenMP_Reducers_d.cpp
-      openmp/TestOpenMP_Scan.cpp
-      openmp/TestOpenMP_SharedAlloc.cpp
-      openmp/TestOpenMP_SubView_a.cpp
-      openmp/TestOpenMP_SubView_b.cpp
-      openmp/TestOpenMP_SubView_c01.cpp
-      openmp/TestOpenMP_SubView_c02.cpp
-      openmp/TestOpenMP_SubView_c03.cpp
-      openmp/TestOpenMP_SubView_c04.cpp
-      openmp/TestOpenMP_SubView_c05.cpp
-      openmp/TestOpenMP_SubView_c06.cpp
-      openmp/TestOpenMP_SubView_c07.cpp
-      openmp/TestOpenMP_SubView_c08.cpp
-      openmp/TestOpenMP_SubView_c09.cpp
-      openmp/TestOpenMP_SubView_c10.cpp
-      openmp/TestOpenMP_SubView_c11.cpp
-      openmp/TestOpenMP_SubView_c12.cpp
-      openmp/TestOpenMP_SubView_c13.cpp
-      openmp/TestOpenMP_Task.cpp
-      openmp/TestOpenMP_Team.cpp
-      openmp/TestOpenMP_TeamReductionScan.cpp
-      openmp/TestOpenMP_ViewAPI_a.cpp
-      openmp/TestOpenMP_ViewAPI_b.cpp
-      openmp/TestOpenMP_ViewAPI_c.cpp
-      openmp/TestOpenMP_ViewAPI_d.cpp
-      openmp/TestOpenMP_ViewAPI_e.cpp
-      openmp/TestOpenMP_ViewMapping_a.cpp
-      openmp/TestOpenMP_ViewMapping_b.cpp
-      openmp/TestOpenMP_ViewMapping_subview.cpp
-      openmp/TestOpenMP_ViewOfClass.cpp
-      openmp/TestOpenMP_Crs.cpp
-      openmp/TestOpenMP_WorkGraph.cpp
-      openmp/TestOpenMP_UniqueToken.cpp
+      hpx/TestHPX_AtomicOperations_int.cpp
+      hpx/TestHPX_AtomicOperations_unsignedint.cpp
+      hpx/TestHPX_AtomicOperations_longint.cpp
+      hpx/TestHPX_AtomicOperations_unsignedlongint.cpp
+      hpx/TestHPX_AtomicOperations_longlongint.cpp
+      hpx/TestHPX_AtomicOperations_double.cpp
+      hpx/TestHPX_AtomicOperations_float.cpp
+      hpx/TestHPX_AtomicViews.cpp
+      hpx/TestHPX_Atomics.cpp
+      hpx/TestHPX_Complex.cpp
+      hpx/TestHPX_Init.cpp
+      hpx/TestHPX_MDRange_a.cpp
+      hpx/TestHPX_MDRange_b.cpp
+      hpx/TestHPX_MDRange_c.cpp
+      hpx/TestHPX_MDRange_d.cpp
+      hpx/TestHPX_MDRange_e.cpp
+      hpx/TestHPX_Other.cpp
+      hpx/TestHPX_RangePolicy.cpp
+      hpx/TestHPX_Reductions.cpp
+      hpx/TestHPX_Reducers_a.cpp
+      hpx/TestHPX_Reducers_b.cpp
+      hpx/TestHPX_Reducers_c.cpp
+      hpx/TestHPX_Reducers_d.cpp
+      hpx/TestHPX_Scan.cpp
+      hpx/TestHPX_SharedAlloc.cpp
+      hpx/TestHPX_SubView_a.cpp
+      hpx/TestHPX_SubView_b.cpp
+      hpx/TestHPX_SubView_c01.cpp
+      hpx/TestHPX_SubView_c02.cpp
+      hpx/TestHPX_SubView_c03.cpp
+      hpx/TestHPX_SubView_c04.cpp
+      hpx/TestHPX_SubView_c05.cpp
+      hpx/TestHPX_SubView_c06.cpp
+      hpx/TestHPX_SubView_c07.cpp
+      hpx/TestHPX_SubView_c08.cpp
+      hpx/TestHPX_SubView_c09.cpp
+      hpx/TestHPX_SubView_c10.cpp
+      hpx/TestHPX_SubView_c11.cpp
+      hpx/TestHPX_SubView_c12.cpp
+      hpx/TestHPX_SubView_c13.cpp
+      hpx/TestHPX_Task.cpp
+      hpx/TestHPX_Team.cpp
+      hpx/TestHPX_TeamReductionScan.cpp
+      hpx/TestHPX_ViewAPI_a.cpp
+      hpx/TestHPX_ViewAPI_b.cpp
+      hpx/TestHPX_ViewAPI_c.cpp
+      hpx/TestHPX_ViewAPI_d.cpp
+      hpx/TestHPX_ViewAPI_e.cpp
+      hpx/TestHPX_ViewMapping_a.cpp
+      hpx/TestHPX_ViewMapping_b.cpp
+      hpx/TestHPX_ViewMapping_subview.cpp
+      hpx/TestHPX_ViewOfClass.cpp
+      hpx/TestHPX_Crs.cpp
+      hpx/TestHPX_WorkGraph.cpp
+      hpx/TestHPX_UniqueToken.cpp
     COMM serial mpi
     NUM_MPI_PROCS 1
     FAIL_REGULAR_EXPRESSION "  FAILED  "
     TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
   )
   TRIBITS_ADD_EXECUTABLE_AND_TEST(
-    UnitTest_OpenMPInterOp
+    UnitTest_HPXInterOp
     SOURCES
       UnitTestMain.cpp
-      openmp/TestOpenMP_InterOp.cpp
+      hpx/TestHPX_InterOp.cpp
     COMM serial mpi
     NUM_MPI_PROCS 1
     FAIL_REGULAR_EXPRESSION "  FAILED  "
@@ -310,6 +697,8 @@ IF(Kokkos_ENABLE_Cuda)
       cuda/TestCuda_AtomicOperations_longlongint.cpp
       cuda/TestCuda_AtomicOperations_double.cpp
       cuda/TestCuda_AtomicOperations_float.cpp
+      cuda/TestCuda_AtomicOperations_complexdouble.cpp
+      cuda/TestCuda_AtomicOperations_complexfloat.cpp
       cuda/TestCuda_AtomicViews.cpp
       cuda/TestCuda_Atomics.cpp
       cuda/TestCuda_Complex.cpp
@@ -366,10 +755,20 @@ IF(Kokkos_ENABLE_Cuda)
     TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
   )
   TRIBITS_ADD_EXECUTABLE_AND_TEST(
-    UnitTest_CudaInterOp
+    UnitTest_CudaInterOpInit
+    SOURCES
+      UnitTestMain.cpp
+      cuda/TestCuda_InterOp_Init.cpp
+    COMM serial mpi
+    NUM_MPI_PROCS 1
+    FAIL_REGULAR_EXPRESSION "  FAILED  "
+    TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
+  )
+  TRIBITS_ADD_EXECUTABLE_AND_TEST(
+    UnitTest_CudaInterOpStreams
     SOURCES
       UnitTestMain.cpp
-      cuda/TestCuda_InterOp.cpp
+      cuda/TestCuda_InterOp_Streams.cpp
     COMM serial mpi
     NUM_MPI_PROCS 1
     FAIL_REGULAR_EXPRESSION "  FAILED  "
@@ -456,3 +855,40 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
   FAIL_REGULAR_EXPRESSION "  FAILED  "
     TESTONLYLIBS kokkos_gtest ${TEST_LINK_TARGETS}
 )
+
+#
+# Compile-only tests
+#
+FUNCTION(KOKKOS_ADD_COMPILE_TEST TEST_NAME)
+
+  SET(options LINK_KOKKOS)
+  SET(oneValueArgs)
+  SET(multiValueArgs)
+
+  CMAKE_PARSE_ARGUMENTS(PARSE "${options}" "${oneValueArgs}" "${multiValueArgs}" ${ARGN})
+
+  IF(PARSE_LINK_KOKKOS)
+    SET(libs ${TEST_LINK_TARGETS})
+  ELSE()
+    SET(libs)
+  ENDIF()
+
+  TRIBITS_ADD_EXECUTABLE(
+    ${TEST_NAME}
+    TESTONLY
+    COMM serial
+    TESTONLYLIBS ${libs}
+    ${PARSE_UNPARSED_ARGUMENTS}
+  )
+
+  target_compile_options(
+    ${PACKAGE_NAME}_${TEST_NAME}
+    PUBLIC $<$<COMPILE_LANGUAGE:CXX>:${KOKKOS_CXX_FLAGS}>
+  )
+  target_link_libraries(
+    ${PACKAGE_NAME}_${TEST_NAME}
+    PUBLIC ${KOKKOS_LD_FLAGS}
+  )
+
+ENDFUNCTION()
+
diff --git a/lib/kokkos/core/unit_test/Makefile b/lib/kokkos/core/unit_test/Makefile
index 72832271c8785809e19c5ae33435a2ff0fbfaaa8..5a6921310884c639925954112babd8cdc43c243d 100644
--- a/lib/kokkos/core/unit_test/Makefile
+++ b/lib/kokkos/core/unit_test/Makefile
@@ -9,6 +9,7 @@ vpath %.cpp ${KOKKOS_PATH}/core/unit_test/threads
 vpath %.cpp ${KOKKOS_PATH}/core/unit_test/openmp
 vpath %.cpp ${KOKKOS_PATH}/core/unit_test/openmptarget
 vpath %.cpp ${KOKKOS_PATH}/core/unit_test/qthreads
+vpath %.cpp ${KOKKOS_PATH}/core/unit_test/hpx
 vpath %.cpp ${KOKKOS_PATH}/core/unit_test/cuda
 vpath %.cpp ${KOKKOS_PATH}/core/unit_test/rocm
 
@@ -38,253 +39,310 @@ TEST_TARGETS =
 TARGETS =
 
 ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
-	OBJ_CUDA = UnitTestMainInit.o gtest-all.o
-	OBJ_CUDA += TestCuda_Init.o
-	OBJ_CUDA += TestCuda_SharedAlloc.o TestCudaUVM_SharedAlloc.o TestCudaHostPinned_SharedAlloc.o
-	OBJ_CUDA += TestCuda_RangePolicy.o
-	OBJ_CUDA += TestCuda_ViewAPI_a.o TestCuda_ViewAPI_b.o TestCuda_ViewAPI_c.o TestCuda_ViewAPI_d.o TestCuda_ViewAPI_e.o
-	OBJ_CUDA += TestCuda_ViewMapping_a.o TestCuda_ViewMapping_b.o TestCuda_ViewMapping_subview.o TestCuda_ViewLayoutStrideAssignment.o
-	OBJ_CUDA += TestCudaUVM_ViewCopy.o TestCudaUVM_ViewAPI_a.o TestCudaUVM_ViewAPI_b.o TestCudaUVM_ViewAPI_c.o TestCudaUVM_ViewAPI_d.o TestCudaUVM_ViewAPI_e.o
-	OBJ_CUDA += TestCudaUVM_ViewMapping_a.o TestCudaUVM_ViewMapping_b.o TestCudaUVM_ViewMapping_subview.o
-	OBJ_CUDA += TestCudaHostPinned_ViewCopy.o TestCudaHostPinned_ViewAPI_a.o TestCudaHostPinned_ViewAPI_b.o TestCudaHostPinned_ViewAPI_c.o TestCudaHostPinned_ViewAPI_d.o TestCudaHostPinned_ViewAPI_e.o
-	OBJ_CUDA += TestCudaHostPinned_ViewMapping_a.o TestCudaHostPinned_ViewMapping_b.o TestCudaHostPinned_ViewMapping_subview.o
-	OBJ_CUDA += TestCuda_View_64bit.o
-	OBJ_CUDA += TestCuda_ViewOfClass.o
-	OBJ_CUDA += TestCuda_SubView_a.o TestCuda_SubView_b.o
-	OBJ_CUDA += TestCuda_SubView_c01.o TestCuda_SubView_c02.o TestCuda_SubView_c03.o
-	OBJ_CUDA += TestCuda_SubView_c04.o TestCuda_SubView_c05.o TestCuda_SubView_c06.o
-	OBJ_CUDA += TestCuda_SubView_c07.o TestCuda_SubView_c08.o TestCuda_SubView_c09.o
-	OBJ_CUDA += TestCuda_SubView_c10.o TestCuda_SubView_c11.o TestCuda_SubView_c12.o
-	OBJ_CUDA += TestCuda_SubView_c13.o
-	OBJ_CUDA += TestCuda_Reductions.o TestCuda_Scan.o
-	OBJ_CUDA += TestCuda_Reductions_DeviceView.o
-	OBJ_CUDA += TestCuda_Reducers_a.o TestCuda_Reducers_b.o TestCuda_Reducers_c.o TestCuda_Reducers_d.o
-	OBJ_CUDA += TestCuda_Complex.o
-	OBJ_CUDA += TestCuda_AtomicOperations_int.o TestCuda_AtomicOperations_unsignedint.o TestCuda_AtomicOperations_longint.o 
-	OBJ_CUDA += TestCuda_AtomicOperations_unsignedlongint.o TestCuda_AtomicOperations_longlongint.o TestCuda_AtomicOperations_double.o TestCuda_AtomicOperations_float.o
-	OBJ_CUDA += TestCuda_AtomicViews.o TestCuda_Atomics.o
-	OBJ_CUDA += TestCuda_Team.o TestCuda_TeamScratch.o
-	OBJ_CUDA += TestCuda_TeamReductionScan.o TestCuda_TeamTeamSize.o
-	OBJ_CUDA += TestCuda_Other.o
-	OBJ_CUDA += TestCuda_MDRange_a.o TestCuda_MDRange_b.o TestCuda_MDRange_c.o TestCuda_MDRange_d.o TestCuda_MDRange_e.o
-	OBJ_CUDA += TestCuda_Crs.o
-	OBJ_CUDA += TestCuda_Task.o TestCuda_WorkGraph.o
-	OBJ_CUDA += TestCuda_Spaces.o
-	OBJ_CUDA += TestCuda_UniqueToken.o
-	
-	TARGETS += KokkosCore_UnitTest_Cuda
-    TARGETS += KokkosCore_UnitTest_CudaInterOp
-	TEST_TARGETS += test-cuda
+    OBJ_CUDA = UnitTestMainInit.o gtest-all.o
+    OBJ_CUDA += TestCuda_Init.o
+    OBJ_CUDA += TestCuda_SharedAlloc.o TestCudaUVM_SharedAlloc.o TestCudaHostPinned_SharedAlloc.o
+    OBJ_CUDA += TestCuda_RangePolicy.o
+    OBJ_CUDA += TestCuda_ViewAPI_a.o TestCuda_ViewAPI_b.o TestCuda_ViewAPI_c.o TestCuda_ViewAPI_d.o TestCuda_ViewAPI_e.o
+    OBJ_CUDA += TestCuda_DeepCopyAlignment.o
+    OBJ_CUDA += TestCuda_ViewMapping_a.o TestCuda_ViewMapping_b.o TestCuda_ViewMapping_subview.o TestCuda_ViewLayoutStrideAssignment.o
+    OBJ_CUDA += TestCudaUVM_ViewCopy.o TestCudaUVM_ViewAPI_a.o TestCudaUVM_ViewAPI_b.o TestCudaUVM_ViewAPI_c.o TestCudaUVM_ViewAPI_d.o TestCudaUVM_ViewAPI_e.o
+    OBJ_CUDA += TestCudaUVM_ViewMapping_a.o TestCudaUVM_ViewMapping_b.o TestCudaUVM_ViewMapping_subview.o
+    OBJ_CUDA += TestCudaHostPinned_ViewCopy.o TestCudaHostPinned_ViewAPI_a.o TestCudaHostPinned_ViewAPI_b.o TestCudaHostPinned_ViewAPI_c.o TestCudaHostPinned_ViewAPI_d.o TestCudaHostPinned_ViewAPI_e.o
+    OBJ_CUDA += TestCudaHostPinned_ViewMapping_a.o TestCudaHostPinned_ViewMapping_b.o TestCudaHostPinned_ViewMapping_subview.o
+    OBJ_CUDA += TestCuda_View_64bit.o
+    OBJ_CUDA += TestCuda_ViewOfClass.o
+    OBJ_CUDA += TestCuda_SubView_a.o TestCuda_SubView_b.o
+    OBJ_CUDA += TestCuda_SubView_c01.o TestCuda_SubView_c02.o TestCuda_SubView_c03.o
+    OBJ_CUDA += TestCuda_SubView_c04.o TestCuda_SubView_c05.o TestCuda_SubView_c06.o
+    OBJ_CUDA += TestCuda_SubView_c07.o TestCuda_SubView_c08.o TestCuda_SubView_c09.o
+    OBJ_CUDA += TestCuda_SubView_c10.o TestCuda_SubView_c11.o TestCuda_SubView_c12.o
+    OBJ_CUDA += TestCuda_SubView_c13.o
+    OBJ_CUDA += TestCuda_Reductions.o TestCuda_Scan.o
+    OBJ_CUDA += TestCuda_Reductions_DeviceView.o
+    OBJ_CUDA += TestCuda_Reducers_a.o TestCuda_Reducers_b.o TestCuda_Reducers_c.o TestCuda_Reducers_d.o
+    OBJ_CUDA += TestCuda_Complex.o
+    OBJ_CUDA += TestCuda_AtomicOperations_int.o TestCuda_AtomicOperations_unsignedint.o TestCuda_AtomicOperations_longint.o
+    OBJ_CUDA += TestCuda_AtomicOperations_unsignedlongint.o TestCuda_AtomicOperations_longlongint.o TestCuda_AtomicOperations_double.o TestCuda_AtomicOperations_float.o
+    OBJ_CUDA += TestCuda_AtomicOperations_complexfloat.o TestCuda_AtomicOperations_complexdouble.o
+    OBJ_CUDA += TestCuda_AtomicViews.o TestCuda_Atomics.o
+    OBJ_CUDA += TestCuda_Team.o TestCuda_TeamScratch.o
+    OBJ_CUDA += TestCuda_TeamReductionScan.o TestCuda_TeamTeamSize.o
+    OBJ_CUDA += TestCuda_TeamVectorRange.o
+    OBJ_CUDA += TestCuda_Other.o
+    OBJ_CUDA += TestCuda_MDRange_a.o TestCuda_MDRange_b.o TestCuda_MDRange_c.o TestCuda_MDRange_d.o TestCuda_MDRange_e.o
+    OBJ_CUDA += TestCuda_Crs.o
+    OBJ_CUDA += TestCuda_Task.o TestCuda_WorkGraph.o
+    OBJ_CUDA += TestCuda_Spaces.o
+    OBJ_CUDA += TestCuda_UniqueToken.o
+    OBJ_CUDA += TestCuda_LocalDeepCopy.o
+
+    TARGETS += KokkosCore_UnitTest_Cuda
+    TARGETS += KokkosCore_UnitTest_CudaInterOpInit
+    TARGETS += KokkosCore_UnitTest_CudaInterOpStreams
+    TEST_TARGETS += test-cuda
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
-        OBJ_ROCM = UnitTestMainInit.o gtest-all.o
-        OBJ_ROCM += TestROCm_Init.o
-        OBJ_ROCM += TestROCm_Complex.o
-        OBJ_ROCM += TestROCm_RangePolicy.o
-	OBJ_ROCM += TestROCm_AtomicOperations_int.o TestROCm_AtomicOperations_unsignedint.o TestROCm_AtomicOperations_longint.o 
-	OBJ_ROCM += TestROCm_AtomicOperations_unsignedlongint.o TestROCm_AtomicOperations_longlongint.o TestROCm_AtomicOperations_double.o TestROCm_AtomicOperations_float.o
-        OBJ_ROCM += TestROCm_Atomics.o
-        OBJ_ROCM += TestROCm_AtomicViews.o
-        OBJ_ROCM += TestROCm_Other.o
-        OBJ_ROCM += TestROCm_MDRange_a.o TestROCm_MDRange_b.o TestROCm_MDRange_c.o TestROCm_MDRange_d.o TestROCm_MDRange_e.o
-        OBJ_ROCM += TestROCm_MDRangeReduce_a.o TestROCm_MDRangeReduce_b.o TestROCm_MDRangeReduce_c.o TestROCm_MDRangeReduce_d.o TestROCm_MDRangeReduce_e.o
-	OBJ_ROCM += TestROCm_Reductions.o
-	OBJ_ROCM += TestROCm_Reducers_a.o TestROCm_Reducers_b.o TestROCm_Reducers_c.o TestROCm_Reducers_d.o
-        OBJ_ROCM += TestROCm_Scan.o
-        OBJ_ROCM += TestROCm_SharedAlloc.o
-        OBJ_ROCM += TestROCm_SubView_a.o
-        OBJ_ROCM += TestROCm_SubView_b.o
-        OBJ_ROCM += TestROCm_SubView_c01.o
-        OBJ_ROCM += TestROCm_SubView_c02.o
-        OBJ_ROCM += TestROCm_SubView_c03.o
-        OBJ_ROCM += TestROCm_SubView_c04.o
-        OBJ_ROCM += TestROCm_SubView_c05.o
-        OBJ_ROCM += TestROCm_SubView_c06.o
-        OBJ_ROCM += TestROCm_SubView_c07.o
-        OBJ_ROCM += TestROCm_SubView_c08.o
-        OBJ_ROCM += TestROCm_SubView_c09.o
-        OBJ_ROCM += TestROCm_SubView_c10.o
-        OBJ_ROCM += TestROCm_SubView_c11.o
-        OBJ_ROCM += TestROCm_SubView_c12.o
-        OBJ_ROCM += TestROCm_SubView_c13.o
-        OBJ_ROCM += TestROCm_Team.o
-        OBJ_ROCM += TestROCm_TeamReductionScan.o
-        OBJ_ROCM += TestROCm_TeamScratch.o TestROCm_TeamTeamSize.o
-        OBJ_ROCM += TestROCm_ViewAPI_a.o TestROCm_ViewAPI_b.o TestROCm_ViewAPI_c.o TestROCm_ViewAPI_d.o TestROCm_ViewAPI_e.o
-        OBJ_ROCM += TestROCm_ViewMapping_a.o
-        OBJ_ROCM += TestROCm_ViewMapping_b.o
-        OBJ_ROCM += TestROCm_ViewMapping_subview.o
-        OBJ_ROCM += TestROCmHostPinned_ViewCopy.o TestROCmHostPinned_ViewAPI_a.o TestROCmHostPinned_ViewAPI_b.o TestROCmHostPinned_ViewAPI_c.o TestROCmHostPinned_ViewAPI_d.o TestROCmHostPinned_ViewAPI_e.o
-        OBJ_ROCM += TestROCmHostPinned_View_64bit.o
-        OBJ_ROCM += TestROCmHostPinned_ViewMapping_a.o 
-        OBJ_ROCM += TestROCmHostPinned_ViewMapping_b.o 
-        OBJ_ROCM += TestROCmHostPinned_ViewMapping_subview.o
-        OBJ_ROCM += TestROCm_ViewOfClass.o
-        OBJ_ROCM += TestROCm_Spaces.o
-        OBJ_ROCM += TestROCm_Crs.o
-     
-        TARGETS += KokkosCore_UnitTest_ROCm
-        TEST_TARGETS += test-rocm
+    OBJ_ROCM = UnitTestMainInit.o gtest-all.o
+    OBJ_ROCM += TestROCm_Init.o
+    OBJ_ROCM += TestROCm_Complex.o
+    OBJ_ROCM += TestROCm_RangePolicy.o
+    OBJ_ROCM += TestROCm_AtomicOperations_int.o TestROCm_AtomicOperations_unsignedint.o TestROCm_AtomicOperations_longint.o
+    OBJ_ROCM += TestROCm_AtomicOperations_unsignedlongint.o TestROCm_AtomicOperations_longlongint.o TestROCm_AtomicOperations_double.o TestROCm_AtomicOperations_float.o
+    OBJ_ROCM += TestROCm_Atomics.o
+    OBJ_ROCM += TestROCm_AtomicViews.o
+    OBJ_ROCM += TestROCm_Other.o
+    OBJ_ROCM += TestROCm_MDRange_a.o TestROCm_MDRange_b.o TestROCm_MDRange_c.o TestROCm_MDRange_d.o TestROCm_MDRange_e.o
+    OBJ_ROCM += TestROCm_MDRangeReduce_a.o TestROCm_MDRangeReduce_b.o TestROCm_MDRangeReduce_c.o TestROCm_MDRangeReduce_d.o TestROCm_MDRangeReduce_e.o
+    OBJ_ROCM += TestROCm_Reductions.o
+    OBJ_ROCM += TestROCm_Reducers_a.o TestROCm_Reducers_b.o TestROCm_Reducers_c.o TestROCm_Reducers_d.o
+    OBJ_ROCM += TestROCm_Scan.o
+    OBJ_ROCM += TestROCm_SharedAlloc.o
+    OBJ_ROCM += TestROCm_SubView_a.o
+    OBJ_ROCM += TestROCm_SubView_b.o
+    OBJ_ROCM += TestROCm_SubView_c01.o
+    OBJ_ROCM += TestROCm_SubView_c02.o
+    OBJ_ROCM += TestROCm_SubView_c03.o
+    OBJ_ROCM += TestROCm_SubView_c04.o
+    OBJ_ROCM += TestROCm_SubView_c05.o
+    OBJ_ROCM += TestROCm_SubView_c06.o
+    OBJ_ROCM += TestROCm_SubView_c07.o
+    OBJ_ROCM += TestROCm_SubView_c08.o
+    OBJ_ROCM += TestROCm_SubView_c09.o
+    OBJ_ROCM += TestROCm_SubView_c10.o
+    OBJ_ROCM += TestROCm_SubView_c11.o
+    OBJ_ROCM += TestROCm_SubView_c12.o
+    OBJ_ROCM += TestROCm_SubView_c13.o
+    OBJ_ROCM += TestROCm_Team.o
+    OBJ_ROCM += TestROCm_TeamReductionScan.o
+    OBJ_ROCM += TestROCm_TeamScratch.o TestROCm_TeamTeamSize.o
+    OBJ_ROCM += TestROCm_ViewAPI_a.o TestROCm_ViewAPI_b.o TestROCm_ViewAPI_c.o TestROCm_ViewAPI_d.o TestROCm_ViewAPI_e.o
+    OBJ_ROCM += TestROCm_DeepCopyAlignment.o
+    OBJ_ROCM += TestROCm_ViewMapping_a.o
+    OBJ_ROCM += TestROCm_ViewMapping_b.o
+    OBJ_ROCM += TestROCm_ViewMapping_subview.o
+    OBJ_ROCM += TestROCmHostPinned_ViewCopy.o TestROCmHostPinned_ViewAPI_a.o TestROCmHostPinned_ViewAPI_b.o TestROCmHostPinned_ViewAPI_c.o TestROCmHostPinned_ViewAPI_d.o TestROCmHostPinned_ViewAPI_e.o
+    OBJ_ROCM += TestROCmHostPinned_View_64bit.o
+    OBJ_ROCM += TestROCmHostPinned_ViewMapping_a.o
+    OBJ_ROCM += TestROCmHostPinned_ViewMapping_b.o
+    OBJ_ROCM += TestROCmHostPinned_ViewMapping_subview.o
+    OBJ_ROCM += TestROCm_ViewOfClass.o
+    OBJ_ROCM += TestROCm_Spaces.o
+    OBJ_ROCM += TestROCm_Crs.o
+
+    TARGETS += KokkosCore_UnitTest_ROCm
+    TEST_TARGETS += test-rocm
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_PTHREADS), 1)
-
-	OBJ_THREADS = UnitTestMainInit.o gtest-all.o
-	OBJ_THREADS += TestThreads_Init.o
-	OBJ_THREADS += TestThreads_SharedAlloc.o
-	OBJ_THREADS += TestThreads_RangePolicy.o
+    OBJ_THREADS = UnitTestMainInit.o gtest-all.o
+    OBJ_THREADS += TestThreads_Init.o
+    OBJ_THREADS += TestThreads_SharedAlloc.o
+    OBJ_THREADS += TestThreads_RangePolicy.o
     OBJ_THREADS += TestThreads_View_64bit.o
-	OBJ_THREADS += TestThreads_ViewAPI_a.o TestThreads_ViewAPI_b.o TestThreads_ViewAPI_c.o TestThreads_ViewAPI_d.o TestThreads_ViewAPI_e.o
-	OBJ_THREADS += TestThreads_ViewMapping_a.o TestThreads_ViewMapping_b.o TestThreads_ViewMapping_subview.o TestThreads_ViewLayoutStrideAssignment.o
-	OBJ_THREADS += TestThreads_ViewOfClass.o
-	OBJ_THREADS += TestThreads_SubView_a.o TestThreads_SubView_b.o
-	OBJ_THREADS += TestThreads_SubView_c01.o TestThreads_SubView_c02.o TestThreads_SubView_c03.o
-	OBJ_THREADS += TestThreads_SubView_c04.o TestThreads_SubView_c05.o TestThreads_SubView_c06.o
-	OBJ_THREADS += TestThreads_SubView_c07.o TestThreads_SubView_c08.o TestThreads_SubView_c09.o
-	OBJ_THREADS += TestThreads_SubView_c10.o TestThreads_SubView_c11.o TestThreads_SubView_c12.o
-	OBJ_THREADS += TestThreads_Reductions.o TestThreads_Scan.o
-	OBJ_THREADS += TestThreads_Reductions_DeviceView.o
-	OBJ_THREADS += TestThreads_Reducers_a.o TestThreads_Reducers_b.o TestThreads_Reducers_c.o TestThreads_Reducers_d.o
-	OBJ_THREADS += TestThreads_Complex.o
-	OBJ_THREADS += TestThreads_AtomicOperations_int.o TestThreads_AtomicOperations_unsignedint.o TestThreads_AtomicOperations_longint.o 
-	OBJ_THREADS += TestThreads_AtomicOperations_unsignedlongint.o TestThreads_AtomicOperations_longlongint.o TestThreads_AtomicOperations_double.o TestThreads_AtomicOperations_float.o
-	OBJ_THREADS += TestThreads_AtomicViews.o TestThreads_Atomics.o
-	OBJ_THREADS += TestThreads_Team.o TestThreads_TeamScratch.o TestThreads_TeamTeamSize.o
-	OBJ_THREADS += TestThreads_TeamReductionScan.o
-	OBJ_THREADS += TestThreads_Other.o
-	OBJ_THREADS += TestThreads_MDRange_a.o TestThreads_MDRange_b.o TestThreads_MDRange_c.o TestThreads_MDRange_d.o TestThreads_MDRange_e.o
-
-	TARGETS += KokkosCore_UnitTest_Threads
-
-	TEST_TARGETS += test-threads
+    OBJ_THREADS += TestThreads_ViewAPI_a.o TestThreads_ViewAPI_b.o TestThreads_ViewAPI_c.o TestThreads_ViewAPI_d.o TestThreads_ViewAPI_e.o
+    OBJ_THREADS += TestThreads_DeepCopyAlignment.o
+    OBJ_THREADS += TestThreads_ViewMapping_a.o TestThreads_ViewMapping_b.o TestThreads_ViewMapping_subview.o TestThreads_ViewLayoutStrideAssignment.o
+    OBJ_THREADS += TestThreads_ViewOfClass.o
+    OBJ_THREADS += TestThreads_SubView_a.o TestThreads_SubView_b.o
+    OBJ_THREADS += TestThreads_SubView_c01.o TestThreads_SubView_c02.o TestThreads_SubView_c03.o
+    OBJ_THREADS += TestThreads_SubView_c04.o TestThreads_SubView_c05.o TestThreads_SubView_c06.o
+    OBJ_THREADS += TestThreads_SubView_c07.o TestThreads_SubView_c08.o TestThreads_SubView_c09.o
+    OBJ_THREADS += TestThreads_SubView_c10.o TestThreads_SubView_c11.o TestThreads_SubView_c12.o
+    OBJ_THREADS += TestThreads_Reductions.o TestThreads_Scan.o
+    OBJ_THREADS += TestThreads_Reductions_DeviceView.o
+    OBJ_THREADS += TestThreads_Reducers_a.o TestThreads_Reducers_b.o TestThreads_Reducers_c.o TestThreads_Reducers_d.o
+    OBJ_THREADS += TestThreads_Complex.o
+    OBJ_THREADS += TestThreads_AtomicOperations_int.o TestThreads_AtomicOperations_unsignedint.o TestThreads_AtomicOperations_longint.o
+    OBJ_THREADS += TestThreads_AtomicOperations_unsignedlongint.o TestThreads_AtomicOperations_longlongint.o TestThreads_AtomicOperations_double.o TestThreads_AtomicOperations_float.o
+    OBJ_THREADS += TestThreads_AtomicOperations_complexfloat.o TestThreads_AtomicOperations_complexdouble.o
+    OBJ_THREADS += TestThreads_AtomicViews.o TestThreads_Atomics.o
+    OBJ_THREADS += TestThreads_Team.o TestThreads_TeamScratch.o TestThreads_TeamTeamSize.o
+    OBJ_THREADS += TestThreads_TeamReductionScan.o
+    OBJ_THREADS += TestThreads_TeamVectorRange.o
+    OBJ_THREADS += TestThreads_Other.o
+    OBJ_THREADS += TestThreads_MDRange_a.o TestThreads_MDRange_b.o TestThreads_MDRange_c.o TestThreads_MDRange_d.o TestThreads_MDRange_e.o
+    OBJ_THREADS += TestThreads_LocalDeepCopy.o
+
+    TARGETS += KokkosCore_UnitTest_Threads
+
+    TEST_TARGETS += test-threads
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
-	OBJ_OPENMP = UnitTestMainInit.o gtest-all.o
-	OBJ_OPENMP += TestOpenMP_Init.o
-	OBJ_OPENMP += TestOpenMP_SharedAlloc.o
-	OBJ_OPENMP += TestOpenMP_RangePolicy.o
+    OBJ_OPENMP = UnitTestMainInit.o gtest-all.o
+    OBJ_OPENMP += TestOpenMP_Init.o
+    OBJ_OPENMP += TestOpenMP_SharedAlloc.o
+    OBJ_OPENMP += TestOpenMP_RangePolicy.o
     OBJ_OPENMP += TestOpenMP_View_64bit.o
-	OBJ_OPENMP += TestOpenMP_ViewAPI_a.o TestOpenMP_ViewAPI_b.o TestOpenMP_ViewAPI_c.o TestOpenMP_ViewAPI_d.o TestOpenMP_ViewAPI_e.o
-	OBJ_OPENMP += TestOpenMP_ViewMapping_a.o TestOpenMP_ViewMapping_b.o TestOpenMP_ViewMapping_subview.o TestOpenMP_ViewLayoutStrideAssignment.o
-	OBJ_OPENMP += TestOpenMP_ViewOfClass.o
-	OBJ_OPENMP += TestOpenMP_SubView_a.o TestOpenMP_SubView_b.o
-	OBJ_OPENMP += TestOpenMP_SubView_c01.o TestOpenMP_SubView_c02.o TestOpenMP_SubView_c03.o
-	OBJ_OPENMP += TestOpenMP_SubView_c04.o TestOpenMP_SubView_c05.o TestOpenMP_SubView_c06.o
-	OBJ_OPENMP += TestOpenMP_SubView_c07.o TestOpenMP_SubView_c08.o TestOpenMP_SubView_c09.o
-	OBJ_OPENMP += TestOpenMP_SubView_c10.o TestOpenMP_SubView_c11.o TestOpenMP_SubView_c12.o
-	OBJ_OPENMP += TestOpenMP_SubView_c13.o
-	OBJ_OPENMP += TestOpenMP_Reductions.o TestOpenMP_Scan.o
-	OBJ_OPENMP += TestOpenMP_Reductions_DeviceView.o
-	OBJ_OPENMP += TestOpenMP_Reducers_a.o TestOpenMP_Reducers_b.o TestOpenMP_Reducers_c.o TestOpenMP_Reducers_d.o
-	OBJ_OPENMP += TestOpenMP_Complex.o
-	OBJ_OPENMP += TestOpenMP_AtomicOperations_int.o TestOpenMP_AtomicOperations_unsignedint.o TestOpenMP_AtomicOperations_longint.o 
-	OBJ_OPENMP += TestOpenMP_AtomicOperations_unsignedlongint.o TestOpenMP_AtomicOperations_longlongint.o TestOpenMP_AtomicOperations_double.o TestOpenMP_AtomicOperations_float.o
-	OBJ_OPENMP += TestOpenMP_AtomicViews.o TestOpenMP_Atomics.o
-	OBJ_OPENMP += TestOpenMP_Team.o TestOpenMP_TeamScratch.o
-	OBJ_OPENMP += TestOpenMP_TeamReductionScan.o TestOpenMP_TeamTeamSize.o
-	OBJ_OPENMP += TestOpenMP_Other.o
-	OBJ_OPENMP += TestOpenMP_MDRange_a.o TestOpenMP_MDRange_b.o TestOpenMP_MDRange_c.o TestOpenMP_MDRange_d.o TestOpenMP_MDRange_e.o
-	OBJ_OPENMP += TestOpenMP_Crs.o
-	OBJ_OPENMP += TestOpenMP_Task.o TestOpenMP_WorkGraph.o
-	OBJ_OPENMP += TestOpenMP_UniqueToken.o
-	
-	TARGETS += KokkosCore_UnitTest_OpenMP
+    OBJ_OPENMP += TestOpenMP_ViewAPI_a.o TestOpenMP_ViewAPI_b.o TestOpenMP_ViewAPI_c.o TestOpenMP_ViewAPI_d.o TestOpenMP_ViewAPI_e.o
+    OBJ_OPENMP += TestOpenMP_DeepCopyAlignment.o
+    OBJ_OPENMP += TestOpenMP_ViewMapping_a.o TestOpenMP_ViewMapping_b.o TestOpenMP_ViewMapping_subview.o TestOpenMP_ViewLayoutStrideAssignment.o
+    OBJ_OPENMP += TestOpenMP_ViewOfClass.o
+    OBJ_OPENMP += TestOpenMP_SubView_a.o TestOpenMP_SubView_b.o
+    OBJ_OPENMP += TestOpenMP_SubView_c01.o TestOpenMP_SubView_c02.o TestOpenMP_SubView_c03.o
+    OBJ_OPENMP += TestOpenMP_SubView_c04.o TestOpenMP_SubView_c05.o TestOpenMP_SubView_c06.o
+    OBJ_OPENMP += TestOpenMP_SubView_c07.o TestOpenMP_SubView_c08.o TestOpenMP_SubView_c09.o
+    OBJ_OPENMP += TestOpenMP_SubView_c10.o TestOpenMP_SubView_c11.o TestOpenMP_SubView_c12.o
+    OBJ_OPENMP += TestOpenMP_SubView_c13.o
+    OBJ_OPENMP += TestOpenMP_Reductions.o TestOpenMP_Scan.o
+    OBJ_OPENMP += TestOpenMP_Reductions_DeviceView.o
+    OBJ_OPENMP += TestOpenMP_Reducers_a.o TestOpenMP_Reducers_b.o TestOpenMP_Reducers_c.o TestOpenMP_Reducers_d.o
+    OBJ_OPENMP += TestOpenMP_Complex.o
+    OBJ_OPENMP += TestOpenMP_AtomicOperations_int.o TestOpenMP_AtomicOperations_unsignedint.o TestOpenMP_AtomicOperations_longint.o
+    OBJ_OPENMP += TestOpenMP_AtomicOperations_unsignedlongint.o TestOpenMP_AtomicOperations_longlongint.o TestOpenMP_AtomicOperations_double.o TestOpenMP_AtomicOperations_float.o
+    OBJ_OPENMP += TestOpenMP_AtomicOperations_complexfloat.o TestOpenMP_AtomicOperations_complexdouble.o
+    OBJ_OPENMP += TestOpenMP_AtomicViews.o TestOpenMP_Atomics.o
+    OBJ_OPENMP += TestOpenMP_Team.o TestOpenMP_TeamScratch.o
+    OBJ_OPENMP += TestOpenMP_TeamReductionScan.o TestOpenMP_TeamTeamSize.o
+    OBJ_OPENMP += TestOpenMP_TeamVectorRange.o
+    OBJ_OPENMP += TestOpenMP_Other.o
+    OBJ_OPENMP += TestOpenMP_MDRange_a.o TestOpenMP_MDRange_b.o TestOpenMP_MDRange_c.o TestOpenMP_MDRange_d.o TestOpenMP_MDRange_e.o
+    OBJ_OPENMP += TestOpenMP_Crs.o
+    OBJ_OPENMP += TestOpenMP_Task.o TestOpenMP_WorkGraph.o
+    OBJ_OPENMP += TestOpenMP_UniqueToken.o
+    OBJ_OPENMP += TestOpenMP_LocalDeepCopy.o
+
+    TARGETS += KokkosCore_UnitTest_OpenMP
     TARGETS += KokkosCore_UnitTest_OpenMPInterOp
 
-	TEST_TARGETS += test-openmp
+    TEST_TARGETS += test-openmp
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
-	OBJ_OPENMPTARGET = UnitTestMainInit.o gtest-all.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_Init.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_SharedAlloc.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_RangePolicy.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_ViewAPI_a.o TestOpenMPTarget_ViewAPI_b.o TestOpenMPTarget_ViewAPI_c.o TestOpenMPTarget_ViewAPI_d.o TestOpenMPTarget_ViewAPI_e.o #Some commented out code
-	OBJ_OPENMPTARGET += TestOpenMPTarget_ViewMapping_a.o 
-    OBJ_OPENMPTARGET += TestOpenMPTarget_ViewMapping_b.o 
+    OBJ_OPENMPTARGET = UnitTestMainInit.o gtest-all.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_Init.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_SharedAlloc.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_RangePolicy.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_ViewAPI_a.o TestOpenMPTarget_ViewAPI_b.o TestOpenMPTarget_ViewAPI_c.o TestOpenMPTarget_ViewAPI_d.o TestOpenMPTarget_ViewAPI_e.o #Some commented out code
+    OBJ_OPENMPTARGET += TestOpenMPTarget_DeepCopyAlignment.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_ViewMapping_a.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_ViewMapping_b.o
     OBJ_OPENMPTARGET += TestOpenMPTarget_ViewMapping_subview.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_ViewOfClass.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_a.o TestOpenMPTarget_SubView_b.o
-	#The following subview tests need something like UVM:
-        #OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c01.o TestOpenMPTarget_SubView_c02.o TestOpenMPTarget_SubView_c03.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c04.o TestOpenMPTarget_SubView_c05.o TestOpenMPTarget_SubView_c06.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c07.o TestOpenMPTarget_SubView_c08.o TestOpenMPTarget_SubView_c09.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c10.o TestOpenMPTarget_SubView_c11.o TestOpenMPTarget_SubView_c12.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_Reductions.o # Need custom reductions
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_Reducers_a.o TestOpenMPTarget_Reducers_b.o TestOpenMPTarget_Reducers_c.o TestOpenMPTarget_Reducers_d.o
-        #OBJ_OPENMPTARGET += TestOpenMPTarget_Scan.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_Complex.o
-	OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicOperations_int.o TestOpenMPTarget_AtomicOperations_unsignedint.o TestOpenMPTarget_AtomicOperations_longint.o 
-	OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicOperations_unsignedlongint.o TestOpenMPTarget_AtomicOperations_longlongint.o TestOpenMPTarget_AtomicOperations_double.o TestOpenMPTarget_AtomicOperations_float.o
-        OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicViews.o 
-        OBJ_OPENMPTARGET += TestOpenMPTarget_Atomics.o # Commented Out Arbitrary Type Atomics
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_Team.o # There is still a static function in this
-        #OBJ_OPENMPTARGET += TestOpenMPTarget_TeamScratch.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_TeamReductionScan.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_Other.o
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_MDRange_a.o TestOpenMPTarget_MDRange_b.o TestOpenMPTarget_MDRange_c.o TestOpenMPTarget_MDRange_d.o TestOpenMPTarget_MDRange_d.e
-	#OBJ_OPENMPTARGET += TestOpenMPTarget_Task.o
-	
-	TARGETS += KokkosCore_UnitTest_OpenMPTarget
-
-	TEST_TARGETS += test-openmptarget
-
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_ViewOfClass.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_a.o TestOpenMPTarget_SubView_b.o
+    #The following subview tests need something like UVM:
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c01.o TestOpenMPTarget_SubView_c02.o TestOpenMPTarget_SubView_c03.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c04.o TestOpenMPTarget_SubView_c05.o TestOpenMPTarget_SubView_c06.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c07.o TestOpenMPTarget_SubView_c08.o TestOpenMPTarget_SubView_c09.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_SubView_c10.o TestOpenMPTarget_SubView_c11.o TestOpenMPTarget_SubView_c12.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Reductions.o # Need custom reductions
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Reducers_a.o TestOpenMPTarget_Reducers_b.o TestOpenMPTarget_Reducers_c.o TestOpenMPTarget_Reducers_d.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Scan.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_Complex.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicOperations_int.o TestOpenMPTarget_AtomicOperations_unsignedint.o TestOpenMPTarget_AtomicOperations_longint.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicOperations_unsignedlongint.o TestOpenMPTarget_AtomicOperations_longlongint.o TestOpenMPTarget_AtomicOperations_double.o TestOpenMPTarget_AtomicOperations_float.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicOperations_complexfloat.o TestOpenMPTarget_AtomicOperations_complexdouble.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_AtomicViews.o
+    OBJ_OPENMPTARGET += TestOpenMPTarget_Atomics.o # Commented Out Arbitrary Type Atomics
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Team.o # There is still a static function in this
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_TeamScratch.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_TeamReductionScan.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Other.o
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_MDRange_a.o TestOpenMPTarget_MDRange_b.o TestOpenMPTarget_MDRange_c.o TestOpenMPTarget_MDRange_d.o TestOpenMPTarget_MDRange_d.e
+    #OBJ_OPENMPTARGET += TestOpenMPTarget_Task.o
+
+    TARGETS += KokkosCore_UnitTest_OpenMPTarget
+
+    TEST_TARGETS += test-openmptarget
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_QTHREADS), 1)
-	OBJ_QTHREADS = TestQthreads_Other.o TestQthreads_Reductions.o TestQthreads_Atomics.o TestQthreads_Team.o
-	OBJ_QTHREADS += TestQthreads_SubView_a.o TestQthreads_SubView_b.o
-	OBJ_QTHREADS += TestQthreads_SubView_c01.o TestQthreads_SubView_c02.o TestQthreads_SubView_c03.o
-	OBJ_QTHREADS += TestQthreads_SubView_c04.o TestQthreads_SubView_c05.o TestQthreads_SubView_c06.o
-	OBJ_QTHREADS += TestQthreads_SubView_c07.o TestQthreads_SubView_c08.o TestQthreads_SubView_c09.o
-	OBJ_QTHREADS += TestQthreads_SubView_c10.o TestQthreads_SubView_c11.o TestQthreads_SubView_c12.o
-	OBJ_QTHREADS += TestQthreads_ViewAPI_a.o TestQthreads_ViewAPI_b.o TestQthreads_ViewAPI_c.o TestQthreads_ViewAPI_d.o TestQthreads_ViewAPI_e.o UnitTestMain.o gtest-all.o
-	TARGETS += KokkosCore_UnitTest_Qthreads
-
-	OBJ_QTHREADS2 = UnitTestMainInit.o gtest-all.o
-	OBJ_QTHREADS2 += TestQthreads_Complex.o
-	TARGETS += KokkosCore_UnitTest_Qthreads2
-
-	TEST_TARGETS += test-qthreads
+    OBJ_QTHREADS = TestQthreads_Other.o TestQthreads_Reductions.o TestQthreads_Atomics.o TestQthreads_Team.o
+    OBJ_QTHREADS += TestQthreads_SubView_a.o TestQthreads_SubView_b.o
+    OBJ_QTHREADS += TestQthreads_SubView_c01.o TestQthreads_SubView_c02.o TestQthreads_SubView_c03.o
+    OBJ_QTHREADS += TestQthreads_SubView_c04.o TestQthreads_SubView_c05.o TestQthreads_SubView_c06.o
+    OBJ_QTHREADS += TestQthreads_SubView_c07.o TestQthreads_SubView_c08.o TestQthreads_SubView_c09.o
+    OBJ_QTHREADS += TestQthreads_SubView_c10.o TestQthreads_SubView_c11.o TestQthreads_SubView_c12.o
+    OBJ_QTHREADS += TestQthreads_ViewAPI_a.o TestQthreads_ViewAPI_b.o TestQthreads_ViewAPI_c.o TestQthreads_ViewAPI_d.o TestQthreads_ViewAPI_e.o UnitTestMain.o gtest-all.o
+    TARGETS += KokkosCore_UnitTest_Qthreads
+
+    OBJ_QTHREADS2 = UnitTestMainInit.o gtest-all.o
+    OBJ_QTHREADS2 += TestQthreads_Complex.o
+    TARGETS += KokkosCore_UnitTest_Qthreads2
+
+    TEST_TARGETS += test-qthreads
+endif
+
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+	OBJ_HPX = UnitTestMainInit.o gtest-all.o
+	OBJ_HPX += TestHPX_Init.o
+	OBJ_HPX += TestHPX_SharedAlloc.o
+	OBJ_HPX += TestHPX_RangePolicy.o
+	OBJ_HPX += TestHPX_View_64bit.o
+	OBJ_HPX += TestHPX_ViewAPI_a.o TestHPX_ViewAPI_b.o TestHPX_ViewAPI_c.o TestHPX_ViewAPI_d.o TestHPX_ViewAPI_e.o
+	OBJ_HPX += TestHPX_ViewMapping_a.o TestHPX_ViewMapping_b.o TestHPX_ViewMapping_subview.o
+	OBJ_HPX += TestHPX_ViewOfClass.o
+	OBJ_HPX += TestHPX_SubView_a.o TestHPX_SubView_b.o
+	OBJ_HPX += TestHPX_SubView_c01.o TestHPX_SubView_c02.o TestHPX_SubView_c03.o
+	OBJ_HPX += TestHPX_SubView_c04.o TestHPX_SubView_c05.o TestHPX_SubView_c06.o
+	OBJ_HPX += TestHPX_SubView_c07.o TestHPX_SubView_c08.o TestHPX_SubView_c09.o
+	OBJ_HPX += TestHPX_SubView_c10.o TestHPX_SubView_c11.o TestHPX_SubView_c12.o
+	OBJ_HPX += TestHPX_SubView_c13.o
+	OBJ_HPX += TestHPX_Reductions.o
+	OBJ_HPX += TestHPX_Scan.o
+	OBJ_HPX += TestHPX_Reducers_a.o TestHPX_Reducers_b.o TestHPX_Reducers_c.o TestHPX_Reducers_d.o
+	OBJ_HPX += TestHPX_Complex.o
+	OBJ_HPX += TestHPX_AtomicOperations_int.o TestHPX_AtomicOperations_unsignedint.o TestHPX_AtomicOperations_longint.o
+	OBJ_HPX += TestHPX_AtomicOperations_unsignedlongint.o TestHPX_AtomicOperations_longlongint.o TestHPX_AtomicOperations_double.o TestHPX_AtomicOperations_float.o
+	OBJ_HPX += TestHPX_AtomicViews.o TestHPX_Atomics.o
+	OBJ_HPX += TestHPX_Team.o
+	OBJ_HPX += TestHPX_TeamVectorRange.o
+	OBJ_HPX += TestHPX_TeamScratch.o
+	OBJ_HPX += TestHPX_TeamReductionScan.o
+	OBJ_HPX += TestHPX_Other.o
+	OBJ_HPX += TestHPX_MDRange_a.o TestHPX_MDRange_b.o TestHPX_MDRange_c.o TestHPX_MDRange_d.o TestHPX_MDRange_e.o
+	OBJ_HPX += TestHPX_Crs.o
+	OBJ_HPX += TestHPX_Task.o
+	OBJ_HPX += TestHPX_WorkGraph.o
+	OBJ_HPX += TestHPX_UniqueToken.o
+
+	TARGETS += KokkosCore_UnitTest_HPX
+  TARGETS += KokkosCore_UnitTest_HPXInterOp
+
+	TEST_TARGETS += test-hpx
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
-        OBJ_SERIAL = UnitTestMainInit.o gtest-all.o
-        OBJ_SERIAL += TestSerial_Init.o
-        OBJ_SERIAL += TestSerial_SharedAlloc.o
-        OBJ_SERIAL += TestSerial_RangePolicy.o
-        OBJ_SERIAL += TestSerial_View_64bit.o
-        OBJ_SERIAL += TestSerial_ViewAPI_a.o TestSerial_ViewAPI_b.o TestSerial_ViewAPI_c.o TestSerial_ViewAPI_d.o TestSerial_ViewAPI_e.o
-        OBJ_SERIAL += TestSerial_ViewMapping_a.o TestSerial_ViewMapping_b.o TestSerial_ViewMapping_subview.o TestSerial_ViewLayoutStrideAssignment.o
-        OBJ_SERIAL += TestSerial_ViewOfClass.o
-        OBJ_SERIAL += TestSerial_SubView_a.o TestSerial_SubView_b.o
-        OBJ_SERIAL += TestSerial_SubView_c01.o TestSerial_SubView_c02.o TestSerial_SubView_c03.o
-        OBJ_SERIAL += TestSerial_SubView_c04.o TestSerial_SubView_c05.o TestSerial_SubView_c06.o
-        OBJ_SERIAL += TestSerial_SubView_c07.o TestSerial_SubView_c08.o TestSerial_SubView_c09.o
-        OBJ_SERIAL += TestSerial_SubView_c10.o TestSerial_SubView_c11.o TestSerial_SubView_c12.o
-        OBJ_SERIAL += TestSerial_SubView_c13.o
-        OBJ_SERIAL += TestSerial_Reductions.o TestSerial_Scan.o
-	OBJ_SERIAL += TestSerial_Reductions_DeviceView.o
-    	OBJ_SERIAL += TestSerial_Reducers_a.o TestSerial_Reducers_b.o TestSerial_Reducers_c.o TestSerial_Reducers_d.o
-        OBJ_SERIAL += TestSerial_Complex.o
-	    OBJ_SERIAL += TestSerial_AtomicOperations_int.o TestSerial_AtomicOperations_unsignedint.o TestSerial_AtomicOperations_longint.o 
-	    OBJ_SERIAL += TestSerial_AtomicOperations_unsignedlongint.o TestSerial_AtomicOperations_longlongint.o TestSerial_AtomicOperations_double.o TestSerial_AtomicOperations_float.o
-	    OBJ_SERIAL += TestSerial_AtomicViews.o TestSerial_Atomics.o
-        OBJ_SERIAL += TestSerial_Team.o TestSerial_TeamScratch.o
-        OBJ_SERIAL += TestSerial_TeamReductionScan.o TestSerial_TeamTeamSize.o
-        OBJ_SERIAL += TestSerial_Other.o
-        #HCC_WORKAROUND
-        ifneq ($(KOKKOS_INTERNAL_COMPILER_HCC), 1)
+    OBJ_SERIAL = UnitTestMainInit.o gtest-all.o
+    OBJ_SERIAL += TestSerial_Init.o
+    OBJ_SERIAL += TestSerial_SharedAlloc.o
+    OBJ_SERIAL += TestSerial_RangePolicy.o
+    OBJ_SERIAL += TestSerial_View_64bit.o
+    OBJ_SERIAL += TestSerial_ViewAPI_a.o TestSerial_ViewAPI_b.o TestSerial_ViewAPI_c.o TestSerial_ViewAPI_d.o TestSerial_ViewAPI_e.o
+    OBJ_SERIAL += TestSerial_DeepCopyAlignment.o
+    OBJ_SERIAL += TestSerial_ViewMapping_a.o TestSerial_ViewMapping_b.o TestSerial_ViewMapping_subview.o TestSerial_ViewLayoutStrideAssignment.o
+    OBJ_SERIAL += TestSerial_ViewOfClass.o
+    OBJ_SERIAL += TestSerial_SubView_a.o TestSerial_SubView_b.o
+    OBJ_SERIAL += TestSerial_SubView_c01.o TestSerial_SubView_c02.o TestSerial_SubView_c03.o
+    OBJ_SERIAL += TestSerial_SubView_c04.o TestSerial_SubView_c05.o TestSerial_SubView_c06.o
+    OBJ_SERIAL += TestSerial_SubView_c07.o TestSerial_SubView_c08.o TestSerial_SubView_c09.o
+    OBJ_SERIAL += TestSerial_SubView_c10.o TestSerial_SubView_c11.o TestSerial_SubView_c12.o
+    OBJ_SERIAL += TestSerial_SubView_c13.o
+    OBJ_SERIAL += TestSerial_Reductions.o TestSerial_Scan.o
+    OBJ_SERIAL += TestSerial_Reductions_DeviceView.o
+    OBJ_SERIAL += TestSerial_Reducers_a.o TestSerial_Reducers_b.o TestSerial_Reducers_c.o TestSerial_Reducers_d.o
+    OBJ_SERIAL += TestSerial_Complex.o
+    OBJ_SERIAL += TestSerial_AtomicOperations_int.o TestSerial_AtomicOperations_unsignedint.o TestSerial_AtomicOperations_longint.o
+    OBJ_SERIAL += TestSerial_AtomicOperations_unsignedlongint.o TestSerial_AtomicOperations_longlongint.o TestSerial_AtomicOperations_double.o TestSerial_AtomicOperations_float.o
+    OBJ_SERIAL += TestSerial_AtomicOperations_complexfloat.o TestSerial_AtomicOperations_complexdouble.o
+    OBJ_SERIAL += TestSerial_AtomicViews.o TestSerial_Atomics.o
+    OBJ_SERIAL += TestSerial_Team.o TestSerial_TeamScratch.o
+    OBJ_SERIAL += TestSerial_TeamVectorRange.o
+    OBJ_SERIAL += TestSerial_TeamReductionScan.o TestSerial_TeamTeamSize.o
+    OBJ_SERIAL += TestSerial_Other.o
+    #HCC_WORKAROUND
+    ifneq ($(KOKKOS_INTERNAL_COMPILER_HCC), 1)
         OBJ_SERIAL += TestSerial_MDRange_a.o TestSerial_MDRange_b.o TestSerial_MDRange_c.o TestSerial_MDRange_d.o TestSerial_MDRange_e.o
-        endif
-        OBJ_SERIAL += TestSerial_Crs.o
-        OBJ_SERIAL += TestSerial_Task.o TestSerial_WorkGraph.o
-	
-	TARGETS += KokkosCore_UnitTest_Serial
+    endif
+    OBJ_SERIAL += TestSerial_Crs.o
+    OBJ_SERIAL += TestSerial_Task.o TestSerial_WorkGraph.o
+    OBJ_SERIAL += TestSerial_LocalDeepCopy.o
+
+    TARGETS += KokkosCore_UnitTest_Serial
 
-	TEST_TARGETS += test-serial
+    TEST_TARGETS += test-serial
 endif
 
 OBJ_HWLOC = TestHWLOC.o UnitTestMain.o gtest-all.o
@@ -298,10 +356,10 @@ TEST_TARGETS += test-host-barrier
 OBJ_DEFAULT = UnitTestMainInit.o gtest-all.o
 ifneq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
 ifneq ($(KOKKOS_INTERNAL_COMPILER_HCC), 1)
-  OBJ_DEFAULT += TestDefaultDeviceType.o 
-  OBJ_DEFAULT += TestDefaultDeviceType_a1.o TestDefaultDeviceType_b1.o TestDefaultDeviceType_c1.o 
-  OBJ_DEFAULT += TestDefaultDeviceType_a2.o TestDefaultDeviceType_b2.o TestDefaultDeviceType_c2.o 
-  OBJ_DEFAULT += TestDefaultDeviceType_a3.o TestDefaultDeviceType_b3.o TestDefaultDeviceType_c3.o 
+  OBJ_DEFAULT += TestDefaultDeviceType.o
+  OBJ_DEFAULT += TestDefaultDeviceType_a1.o TestDefaultDeviceType_b1.o TestDefaultDeviceType_c1.o
+  OBJ_DEFAULT += TestDefaultDeviceType_a2.o TestDefaultDeviceType_b2.o TestDefaultDeviceType_c2.o
+  OBJ_DEFAULT += TestDefaultDeviceType_a3.o TestDefaultDeviceType_b3.o TestDefaultDeviceType_c3.o
   OBJ_DEFAULT += TestDefaultDeviceType_d.o
 endif
 endif
@@ -325,9 +383,11 @@ TEST_TARGETS += ${INITTESTS_TEST_TARGETS}
 KokkosCore_UnitTest_Cuda: $(OBJ_CUDA) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_CUDA) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_Cuda
 	
-KokkosCore_UnitTest_CudaInterOp: UnitTestMain.o gtest-all.o TestCuda_InterOp.o
-	$(LINK) $(EXTRA_PATH) UnitTestMain.o gtest-all.o TestCuda_InterOp.o $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_CudaInterOp
-	
+KokkosCore_UnitTest_CudaInterOpInit: UnitTestMain.o gtest-all.o TestCuda_InterOp_Init.o $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) UnitTestMain.o gtest-all.o TestCuda_InterOp_Init.o $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_CudaInterOpInit
+KokkosCore_UnitTest_CudaInterOpStreams: UnitTestMain.o gtest-all.o TestCuda_InterOp_Streams.o $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) UnitTestMain.o gtest-all.o TestCuda_InterOp_Streams.o $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_CudaInterOpStreams
+
 KokkosCore_UnitTest_ROCm: $(OBJ_ROCM) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_ROCM) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_ROCm
 
@@ -337,7 +397,7 @@ KokkosCore_UnitTest_Threads: $(OBJ_THREADS) $(KOKKOS_LINK_DEPENDS)
 KokkosCore_UnitTest_OpenMP: $(OBJ_OPENMP) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_OPENMP) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_OpenMP
 
-KokkosCore_UnitTest_OpenMPInterOp: UnitTestMain.o gtest-all.o TestOpenMP_InterOp.o
+KokkosCore_UnitTest_OpenMPInterOp: UnitTestMain.o gtest-all.o TestOpenMP_InterOp.o $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) UnitTestMain.o gtest-all.o TestOpenMP_InterOp.o $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_OpenMPInterOp
 
 KokkosCore_UnitTest_OpenMPTarget: $(OBJ_OPENMPTARGET) $(KOKKOS_LINK_DEPENDS)
@@ -352,6 +412,12 @@ KokkosCore_UnitTest_Qthreads: $(OBJ_QTHREADS) $(KOKKOS_LINK_DEPENDS)
 KokkosCore_UnitTest_Qthreads2: $(OBJ_QTHREADS2) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_QTHREADS2) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_Qthreads2
 
+KokkosCore_UnitTest_HPX: $(OBJ_HPX) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) $(OBJ_HPX) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_HPX
+
+KokkosCore_UnitTest_HPXInterOp: UnitTestMain.o gtest-all.o TestHPX_InterOp.o $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(EXTRA_PATH) UnitTestMain.o gtest-all.o TestHPX_InterOp.o $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_HPXInterOp
+
 KokkosCore_UnitTest_HWLOC: $(OBJ_HWLOC) $(KOKKOS_LINK_DEPENDS)
 	$(LINK) $(EXTRA_PATH) $(OBJ_HWLOC) $(KOKKOS_LIBS) $(LIB) $(KOKKOS_LDFLAGS) $(LDFLAGS) -o KokkosCore_UnitTest_HWLOC
 
@@ -376,7 +442,8 @@ ${INITTESTS_TARGETS}: KokkosCore_UnitTest_DefaultDeviceTypeInit_%: TestDefaultDe
 
 test-cuda: KokkosCore_UnitTest_Cuda
 	./KokkosCore_UnitTest_Cuda
-	./KokkosCore_UnitTest_CudaInterOp
+	./KokkosCore_UnitTest_CudaInterOpInit
+	./KokkosCore_UnitTest_CudaInterOpStreams
 
 test-rocm: KokkosCore_UnitTest_ROCm
 	./KokkosCore_UnitTest_ROCm
@@ -398,6 +465,10 @@ test-qthreads: KokkosCore_UnitTest_Qthreads KokkosCore_UnitTest_Qthreads2
 	./KokkosCore_UnitTest_Qthreads
 	./KokkosCore_UnitTest_Qthreads2
 
+test-hpx: KokkosCore_UnitTest_HPX
+	./KokkosCore_UnitTest_HPX
+	./KokkosCore_UnitTest_HPXInterOp
+
 test-hwloc: KokkosCore_UnitTest_HWLOC
 	./KokkosCore_UnitTest_HWLOC
 
diff --git a/lib/kokkos/core/unit_test/TestAtomic.hpp b/lib/kokkos/core/unit_test/TestAtomic.hpp
index 58b63251156eee869b2cb036620539fa4d7d4592..ee93d5347037b39b98957fcfc2d398bb6290aa8b 100644
--- a/lib/kokkos/core/unit_test/TestAtomic.hpp
+++ b/lib/kokkos/core/unit_test/TestAtomic.hpp
@@ -211,13 +211,13 @@ T AddLoop( int loop ) {
   f_zero.data = data;
 
   Kokkos::parallel_for( 1, f_zero );
-  execution_space::fence();
+  execution_space().fence();
 
   struct AddFunctor< T, execution_space > f_add;
 
   f_add.data = data;
   Kokkos::parallel_for( loop, f_add );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -226,7 +226,7 @@ T AddLoop( int loop ) {
   f_add_red.data = data;
   int dummy_result;
   Kokkos::parallel_reduce( loop, f_add_red , dummy_result );
-  execution_space::fence();
+  execution_space().fence();
 
   return val;
 }
@@ -298,12 +298,12 @@ T CASLoop( int loop ) {
 
   f_zero.data = data;
   Kokkos::parallel_for( 1, f_zero );
-  execution_space::fence();
+  execution_space().fence();
 
   struct CASFunctor< T, execution_space > f_cas;
   f_cas.data = data;
   Kokkos::parallel_for( loop, f_cas );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -312,7 +312,7 @@ T CASLoop( int loop ) {
   f_cas_red.data = data;
   int dummy_result;
   Kokkos::parallel_reduce( loop, f_cas_red , dummy_result );
-  execution_space::fence();
+  execution_space().fence();
 
   return val;
 }
@@ -381,20 +381,20 @@ T ExchLoop( int loop ) {
 
   f_zero.data = data;
   Kokkos::parallel_for( 1, f_zero );
-  execution_space::fence();
+  execution_space().fence();
 
   typename ZeroFunctor< T, execution_space >::type data2( "Data" );
   typename ZeroFunctor< T, execution_space >::h_type h_data2( "HData" );
 
   f_zero.data = data2;
   Kokkos::parallel_for( 1, f_zero );
-  execution_space::fence();
+  execution_space().fence();
 
   struct ExchFunctor< T, execution_space > f_exch;
   f_exch.data = data;
   f_exch.data2 = data2;
   Kokkos::parallel_for( loop, f_exch );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   Kokkos::deep_copy( h_data2, data2 );
@@ -405,7 +405,7 @@ T ExchLoop( int loop ) {
   f_exch_red.data2 = data2;
   int dummy_result;
   Kokkos::parallel_reduce( loop, f_exch_red , dummy_result );
-  execution_space::fence();
+  execution_space().fence();
 
   return val;
 }
diff --git a/lib/kokkos/core/unit_test/TestAtomicOperations.hpp b/lib/kokkos/core/unit_test/TestAtomicOperations.hpp
index d068c18d8710751dc572214a6df467799336c359..e043737e423809938c3e04efc38b12a009d9e8be 100644
--- a/lib/kokkos/core/unit_test/TestAtomicOperations.hpp
+++ b/lib/kokkos/core/unit_test/TestAtomicOperations.hpp
@@ -113,13 +113,13 @@ T MaxAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct MaxFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -191,13 +191,13 @@ T MinAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct MinFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -268,13 +268,13 @@ T IncAtomic( T i0 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct IncFunctor< T, execution_space > f( i0 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -345,13 +345,13 @@ T DecAtomic( T i0 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct DecFunctor< T, execution_space > f( i0 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -423,13 +423,13 @@ T MulAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct MulFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -501,13 +501,13 @@ T DivAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct DivFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -536,7 +536,9 @@ bool DivAtomicTest( T i0, T i1 )
 
   bool passed = true;
 
-  if ( (resSerial-res)*(resSerial-res) > 1e-10 ) {
+  using std::abs;
+  using Kokkos::abs;
+  if ( abs( (resSerial-res) * 1.) > 1e-5 ) {
     passed = false;
 
     std::cout << "Loop<"
@@ -579,13 +581,13 @@ T ModAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct ModFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -657,13 +659,13 @@ T AndAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct AndFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -735,13 +737,13 @@ T OrAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct OrFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -813,13 +815,13 @@ T XorAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct XorFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -891,13 +893,13 @@ T LShiftAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct LShiftFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
@@ -969,13 +971,13 @@ T RShiftAtomic( T i0, T i1 ) {
 
   f_init.data = data;
   Kokkos::parallel_for( 1, f_init );
-  execution_space::fence();
+  execution_space().fence();
 
   struct RShiftFunctor< T, execution_space > f( i0, i1 );
 
   f.data = data;
   Kokkos::parallel_for( 1, f );
-  execution_space::fence();
+  execution_space().fence();
 
   Kokkos::deep_copy( h_data, data );
   T val = h_data();
diff --git a/lib/kokkos/core/unit_test/TestAtomicOperations_complexdouble.hpp b/lib/kokkos/core/unit_test/TestAtomicOperations_complexdouble.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..a8474d895222e95b400655a5dc6f6a6314ce7c4a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestAtomicOperations_complexdouble.hpp
@@ -0,0 +1,57 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<TestAtomicOperations.hpp>
+
+namespace Test {
+TEST_F( TEST_CATEGORY , atomic_operations_complexdouble )
+{
+  const int start = 1; // Avoid zero for division.
+  const int end = 11;
+  for ( int i = start; i < end; ++i )
+  {
+    ASSERT_TRUE( ( TestAtomicOperations::MulAtomicTest< Kokkos::complex<double>, TEST_EXECSPACE >( start , end - i) ) );
+    ASSERT_TRUE( ( TestAtomicOperations::DivAtomicTest< Kokkos::complex<double>, TEST_EXECSPACE >( start , end - i) ) );
+  }
+}
+}
diff --git a/lib/kokkos/core/unit_test/TestAtomicOperations_complexfloat.hpp b/lib/kokkos/core/unit_test/TestAtomicOperations_complexfloat.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..961418e675749064bae6c38a728e68937a0ed082
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestAtomicOperations_complexfloat.hpp
@@ -0,0 +1,57 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<TestAtomicOperations.hpp>
+
+namespace Test {
+TEST_F( TEST_CATEGORY , atomic_operations_complexfloat )
+{
+  const int start = 1; // Avoid zero for division.
+  const int end = 11;
+  for ( int i = start; i < end; ++i )
+  {
+    ASSERT_TRUE( ( TestAtomicOperations::MulAtomicTest< Kokkos::complex<float>, TEST_EXECSPACE >( start , end - i) ) );
+    ASSERT_TRUE( ( TestAtomicOperations::DivAtomicTest< Kokkos::complex<float>, TEST_EXECSPACE >( start , end - i) ) );
+  }
+}
+}
diff --git a/lib/kokkos/core/unit_test/TestCXX11.hpp b/lib/kokkos/core/unit_test/TestCXX11.hpp
index 8a158e2667e5fbd68a233e6e3502a1f8f8bf9c4a..542b4a1912f4701ca37ff8a47a641fe5c255fc34 100644
--- a/lib/kokkos/core/unit_test/TestCXX11.hpp
+++ b/lib/kokkos/core/unit_test/TestCXX11.hpp
@@ -235,6 +235,7 @@ double ReduceTestFunctor() {
   else {
     Kokkos::parallel_reduce( policy_type( 25, Kokkos::AUTO ), FunctorReduceTest< DeviceType >( a ), unmanaged_result( & result ) );
   }
+  Kokkos::fence();
 
   return result;
 }
@@ -281,6 +282,7 @@ double ReduceTestLambda() {
       }
     }, unmanaged_result( & result ) );
   }
+  Kokkos::fence();
 
   return result;
 }
diff --git a/lib/kokkos/core/unit_test/TestCompilerMacros.hpp b/lib/kokkos/core/unit_test/TestCompilerMacros.hpp
index e6b5c48d3d790084227a6abd66e9b3a7022d114c..07c332a9ae226d86b1e4bd084ebfb7c05934abd2 100644
--- a/lib/kokkos/core/unit_test/TestCompilerMacros.hpp
+++ b/lib/kokkos/core/unit_test/TestCompilerMacros.hpp
@@ -102,7 +102,7 @@ bool Test() {
 
   AddFunctor< DeviceType > f( a, b );
   Kokkos::parallel_for( 1024, f );
-  DeviceType::fence();
+  DeviceType().fence();
 
   return true;
 }
diff --git a/lib/kokkos/core/unit_test/TestDeepCopy.hpp b/lib/kokkos/core/unit_test/TestDeepCopy.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..aebf263290b78c7f08e4d9af72fa10b00221820a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestDeepCopy.hpp
@@ -0,0 +1,167 @@
+#include<Kokkos_Core.hpp>
+
+namespace Test {
+
+namespace Impl {
+template<class MemorySpaceA, class MemorySpaceB>
+struct TestDeepCopy {
+
+  typedef Kokkos::View<double*, Kokkos::LayoutRight, MemorySpaceA> a_base_t;
+  typedef Kokkos::View<double*, Kokkos::LayoutRight, MemorySpaceB> b_base_t;
+  typedef Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char_t;
+  typedef Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceB> b_char_t;
+
+  typedef Kokkos::RangePolicy<typename MemorySpaceA::execution_space> policyA_t;
+  typedef Kokkos::RangePolicy<typename MemorySpaceB::execution_space> policyB_t;
+
+  static void reset_a_copy_and_b(Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char_copy, Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceB> b_char) {
+    const int N = b_char.extent(0);
+    Kokkos::parallel_for("TestDeepCopy: FillA_copy",policyA_t(0,N), KOKKOS_LAMBDA (const int& i) {
+      a_char_copy(i) = char(0);
+    });
+    Kokkos::parallel_for("TestDeepCopy: FillB",policyB_t(0,N), KOKKOS_LAMBDA (const int& i) {
+      b_char(i) = char(0);
+    });
+  }
+
+  static int compare_equal(Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char_copy, Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char) {
+    const int N = a_char.extent(0);
+    int errors;
+    Kokkos::parallel_reduce("TestDeepCopy: FillA_copy",policyA_t(0,N), KOKKOS_LAMBDA (const int& i, int& lsum) {
+      if(a_char_copy(i) != a_char(i)) lsum++;
+    },errors);
+    return errors;
+  }
+
+  static void run_test(int num_bytes) {
+    a_base_t a_base("test_space_to_space",(num_bytes+128)/8);
+    a_base_t a_base_copy("test_space_to_space",(num_bytes+128)/8);
+    Kokkos::View<double*, Kokkos::LayoutRight, MemorySpaceB> b_base("test_space_to_space",(num_bytes+128)/8);
+    
+    Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char((char*) a_base.data(),a_base.extent(0)*8);
+    Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceA> a_char_copy((char*) a_base_copy.data(),a_base.extent(0)*8);
+    Kokkos::View<char*, Kokkos::LayoutRight, MemorySpaceB> b_char((char*) b_base.data(),b_base.extent(0)*8);
+
+    Kokkos::parallel_for("TestDeepCopy: FillA",policyA_t(0,a_char.extent(0)), KOKKOS_LAMBDA (const int& i) {
+      a_char(i) = static_cast<char>(i%97)+1;
+    });
+
+    reset_a_copy_and_b(a_char_copy, b_char);
+
+    {
+      int check = compare_equal(a_char_copy,a_char);
+      ASSERT_EQ( check, a_char.extent(0) );
+    }
+
+    // (a.data()%8, (a.data()+a.extent(0))%8, b.data()%8, (b.data()+b.extent(0))%8
+    // (0,0,0,0) 
+    {
+      int a_begin = 0;
+      int a_end   = 0;
+      int b_begin = 0;
+      int b_end   = 0;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+
+    {
+      int a_begin = 0;
+      int a_end   = 5;
+      int b_begin = 0;
+      int b_end   = 5;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+    
+    {
+      int a_begin = 3;
+      int a_end   = 0;
+      int b_begin = 3;
+      int b_end   = 0;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+
+    {
+      int a_begin = 3;
+      int a_end   = 6;
+      int b_begin = 3;
+      int b_end   = 6;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+
+    {
+      int a_begin = 5;
+      int a_end   = 4;
+      int b_begin = 3;
+      int b_end   = 6;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+
+    {
+      int a_begin = 0;
+      int a_end   = 8;
+      int b_begin = 2;
+      int b_end   = 6;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+     
+    {
+      int a_begin = 2;
+      int a_end   = 6;
+      int b_begin = 0;
+      int b_end   = 8;
+      auto a = Kokkos::subview(a_char,std::pair<int,int>(a_begin,a_char.extent(0)-a_end));
+      auto b = Kokkos::subview(b_char,std::pair<int,int>(b_begin,b_char.extent(0)-b_end));
+      auto a_copy = Kokkos::subview(a_char_copy,std::pair<int,int>(a_begin,a_char_copy.extent(0)-a_end));
+      Kokkos::deep_copy(b,a);
+      Kokkos::deep_copy(a_copy,b);
+      int check = compare_equal(a_copy,a);
+      ASSERT_EQ( check, 0 );
+    }
+
+  }
+};
+}
+
+TEST_F( TEST_CATEGORY, deep_copy_alignment )
+{
+  { Impl::TestDeepCopy< TEST_EXECSPACE::memory_space , TEST_EXECSPACE::memory_space >::run_test( 100000 ); }
+  { Impl::TestDeepCopy< Kokkos::HostSpace , TEST_EXECSPACE::memory_space >::run_test( 100000 ); }
+  { Impl::TestDeepCopy< TEST_EXECSPACE::memory_space , Kokkos::HostSpace >::run_test( 100000 ); }
+}
+
+}
diff --git a/lib/kokkos/core/unit_test/TestDefaultDeviceTypeInit.hpp b/lib/kokkos/core/unit_test/TestDefaultDeviceTypeInit.hpp
index 1e1418fcbfb0cd9c4d252a2ae9de47c2feb36e6f..1261948f87662b8146d4cc37c05c4fd58b194516 100644
--- a/lib/kokkos/core/unit_test/TestDefaultDeviceTypeInit.hpp
+++ b/lib/kokkos/core/unit_test/TestDefaultDeviceTypeInit.hpp
@@ -222,6 +222,14 @@ void check_correct_initialization( const Kokkos::InitArguments & argstruct ) {
       expected_nthreads = 1;
     }
 #endif
+
+#ifdef KOKKOS_ENABLE_HPX
+    // HPX uses all cores on machine by default. Skip this test.
+    if ( std::is_same< Kokkos::DefaultExecutionSpace, Kokkos::Experimental::HPX >::value ||
+         std::is_same< Kokkos::DefaultHostExecutionSpace, Kokkos::Experimental::HPX >::value ) {
+      return;
+    }
+#endif
   }
 
   int expected_numa = argstruct.num_numa;
diff --git a/lib/kokkos/core/unit_test/TestLocalDeepCopy.hpp b/lib/kokkos/core/unit_test/TestLocalDeepCopy.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..31bda530a5020c7a9b7c8a49aae369cbe485b2bb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestLocalDeepCopy.hpp
@@ -0,0 +1,904 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <gtest/gtest.h>
+
+#include <stdexcept>
+#include <sstream>
+#include <iostream>
+#include <time.h>
+
+#include <Kokkos_Core.hpp>
+
+namespace Test {
+
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_1 (const int N) {
+
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, 1, 1, lid, Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, 1, lid, Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, 1, lid, Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N );  
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_2 (const int N) {
+
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_3 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_4 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_5 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_6 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, 1, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_teampolicy_rank_7 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    Kokkos::deep_copy( A, 10.0 );
+
+    typedef Kokkos::TeamPolicy<ExecSpace>               team_policy;
+    typedef typename Kokkos::TeamPolicy<ExecSpace>::member_type  member_type;
+
+    //Deep Copy
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N
+      auto subSrc = Kokkos::subview(A, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( team_policy( N, Kokkos::AUTO ), KOKKOS_LAMBDA ( const member_type &teamMember ) {
+      int lid = teamMember.league_rank();// returns a number between 0 and N      
+      auto subDst = Kokkos::subview(B, lid, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(teamMember,subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_1 (const int N) {
+  
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, 1, 1, i, Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, 1, i, Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, 1, i, Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N );  
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_2 (const int N) {
+
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {      
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_3 (const int N) {
+ 
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subDst = Kokkos::subview(B, 1, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_4 (const int N) {
+ 
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subDst = Kokkos::subview(B, 1, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_5 (const int N) {
+ 
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subDst = Kokkos::subview(B, 1, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_6 (const int N) {
+ 
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    auto subA = Kokkos::subview(A, 1, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+    Kokkos::deep_copy( subA, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subDst = Kokkos::subview(B, 1, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------
+  template<typename ExecSpace, typename ViewType>
+  void impl_test_local_deepcopy_rangepolicy_rank_7 (const int N) {
+ 
+    // Allocate matrices on device.
+    ViewType A( "A", N, N, N, N, N, N, N, N );
+    ViewType B( "B", N, N, N, N, N, N, N, N );
+
+    // Create host mirrors of device views.
+    typename ViewType::HostMirror h_A = Kokkos::create_mirror_view( A );
+    typename ViewType::HostMirror h_B = Kokkos::create_mirror_view( B );
+
+    // Initialize A matrix.
+    Kokkos::deep_copy( A, 10.0 );
+
+    //Deep Copy
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subSrc = Kokkos::subview(A, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      auto subDst = Kokkos::subview(B, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,subSrc);
+    });
+
+    Kokkos::deep_copy( h_A, A );
+    Kokkos::deep_copy( h_B, B );
+
+    bool test = true;
+    for(size_t i=0; i<A.span();i++){
+      if (h_A.data()[i]!=h_B.data()[i]) {test = false;break;}
+    }
+
+    ASSERT_EQ( test, true );
+
+    //Fill
+    Kokkos::deep_copy( B, 0.0 );
+
+    Kokkos::parallel_for( Kokkos::RangePolicy<ExecSpace>(0,N), KOKKOS_LAMBDA ( const int& i ) {
+      auto subDst = Kokkos::subview(B, i, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
+      Kokkos::Experimental::local_deep_copy(subDst,20.0);
+    });
+
+    Kokkos::deep_copy( h_B, B );
+
+    double sum_all = 0.0;
+    for(size_t i=0; i<B.span();i++){
+      sum_all += h_B.data()[i];
+    }
+
+    ASSERT_EQ( sum_all, 20.0*N*N*N*N*N*N*N*N );
+  }
+//-------------------------------------------------------------------------------------------------------------  
+
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+TEST_F( TEST_CATEGORY , local_deepcopy_teampolicy_layoutleft )
+{
+  typedef TEST_EXECSPACE ExecSpace;
+  typedef Kokkos::View<double********,Kokkos::LayoutLeft,ExecSpace> ViewType;
+  
+  { //Rank-1
+    impl_test_local_deepcopy_teampolicy_rank_1<ExecSpace,ViewType>(8);
+  }
+  { //Rank-2
+    impl_test_local_deepcopy_teampolicy_rank_2<ExecSpace,ViewType>(8);
+  }
+  { //Rank-3
+    impl_test_local_deepcopy_teampolicy_rank_3<ExecSpace,ViewType>(8);
+  }
+  { //Rank-4
+    impl_test_local_deepcopy_teampolicy_rank_4<ExecSpace,ViewType>(8);
+  }
+  { //Rank-5
+    impl_test_local_deepcopy_teampolicy_rank_5<ExecSpace,ViewType>(8);
+  }
+  { //Rank-6
+    impl_test_local_deepcopy_teampolicy_rank_6<ExecSpace,ViewType>(8);
+  }
+  { //Rank-7
+    impl_test_local_deepcopy_teampolicy_rank_7<ExecSpace,ViewType>(8);
+  }
+}
+//-------------------------------------------------------------------------------------------------------------
+TEST_F( TEST_CATEGORY , local_deepcopy_rangepolicy_layoutleft )
+{
+  typedef TEST_EXECSPACE ExecSpace;
+  typedef Kokkos::View<double********,Kokkos::LayoutLeft,ExecSpace> ViewType;
+
+  { //Rank-1
+    impl_test_local_deepcopy_rangepolicy_rank_1<ExecSpace,ViewType>(8);
+  }
+  { //Rank-2
+    impl_test_local_deepcopy_rangepolicy_rank_2<ExecSpace,ViewType>(8);
+  }
+  { //Rank-3
+    impl_test_local_deepcopy_rangepolicy_rank_3<ExecSpace,ViewType>(8);
+  }
+  { //Rank-4
+    impl_test_local_deepcopy_rangepolicy_rank_4<ExecSpace,ViewType>(8);
+  }
+  { //Rank-5
+    impl_test_local_deepcopy_rangepolicy_rank_5<ExecSpace,ViewType>(8);
+  }
+  { //Rank-6
+    impl_test_local_deepcopy_rangepolicy_rank_6<ExecSpace,ViewType>(8);
+  }
+  { //Rank-7
+    impl_test_local_deepcopy_rangepolicy_rank_7<ExecSpace,ViewType>(8);
+  }
+}
+//-------------------------------------------------------------------------------------------------------------
+TEST_F( TEST_CATEGORY , local_deepcopy_teampolicy_layoutright )
+{
+  typedef TEST_EXECSPACE ExecSpace;
+  typedef Kokkos::View<double********,Kokkos::LayoutRight,ExecSpace> ViewType;
+
+  { //Rank-1
+    impl_test_local_deepcopy_teampolicy_rank_1<ExecSpace,ViewType>(8);
+  }
+  { //Rank-2
+    impl_test_local_deepcopy_teampolicy_rank_2<ExecSpace,ViewType>(8);
+  }
+  { //Rank-3
+    impl_test_local_deepcopy_teampolicy_rank_3<ExecSpace,ViewType>(8);
+  }
+  { //Rank-4
+    impl_test_local_deepcopy_teampolicy_rank_4<ExecSpace,ViewType>(8);
+  }
+  { //Rank-5
+    impl_test_local_deepcopy_teampolicy_rank_5<ExecSpace,ViewType>(8);
+  }
+  { //Rank-6
+    impl_test_local_deepcopy_teampolicy_rank_6<ExecSpace,ViewType>(8);
+  }
+  { //Rank-7
+    impl_test_local_deepcopy_teampolicy_rank_7<ExecSpace,ViewType>(8);
+  }
+}
+//-------------------------------------------------------------------------------------------------------------
+TEST_F( TEST_CATEGORY , local_deepcopy_rangepolicy_layoutright )
+{
+  typedef TEST_EXECSPACE ExecSpace;
+  typedef Kokkos::View<double********,Kokkos::LayoutRight,ExecSpace> ViewType;
+
+  { //Rank-1
+    impl_test_local_deepcopy_rangepolicy_rank_1<ExecSpace,ViewType>(8);
+  }
+  { //Rank-2
+    impl_test_local_deepcopy_rangepolicy_rank_2<ExecSpace,ViewType>(8);
+  }
+  { //Rank-3
+    impl_test_local_deepcopy_rangepolicy_rank_3<ExecSpace,ViewType>(8);
+  }
+  { //Rank-4
+    impl_test_local_deepcopy_rangepolicy_rank_4<ExecSpace,ViewType>(8);
+  }
+  { //Rank-5
+    impl_test_local_deepcopy_rangepolicy_rank_5<ExecSpace,ViewType>(8);
+  }
+  { //Rank-6
+    impl_test_local_deepcopy_rangepolicy_rank_6<ExecSpace,ViewType>(8);
+  }
+  { //Rank-7
+    impl_test_local_deepcopy_rangepolicy_rank_7<ExecSpace,ViewType>(8);
+  }
+}
+#endif
+#endif
+}
diff --git a/lib/kokkos/core/unit_test/TestMDRange.hpp b/lib/kokkos/core/unit_test/TestMDRange.hpp
index a382a207002bf4d252091931d4139fddeac5c726..cea89a487202fa65c6451863f3adac748c75a727 100644
--- a/lib/kokkos/core/unit_test/TestMDRange.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange.hpp
@@ -351,6 +351,7 @@ struct TestMDRange_2D {
       Kokkos::Sum< value_type > reducer_view( sum_view );
 
       parallel_reduce( range, functor, reducer_view);
+      Kokkos::fence();
       sum = sum_view();
 
       ASSERT_EQ( sum, 2 * N0 * N1 );
@@ -931,6 +932,7 @@ struct TestMDRange_3D {
       Kokkos::Sum< value_type > reducer_view( sum_view );
 
       parallel_reduce( range, functor, reducer_view);
+      Kokkos::fence();
       sum = sum_view();
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 );
@@ -1502,6 +1504,7 @@ struct TestMDRange_4D {
       Kokkos::Sum< value_type > reducer_view( sum_view );
 
       parallel_reduce( range, functor, reducer_view);
+      Kokkos::fence();
       sum = sum_view();
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 );
@@ -2089,6 +2092,7 @@ struct TestMDRange_5D {
       Kokkos::Sum< value_type > reducer_view( sum_view );
 
       parallel_reduce( range, functor, reducer_view);
+      Kokkos::fence();
       sum = sum_view();
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 );
@@ -2607,6 +2611,7 @@ struct TestMDRange_6D {
       Kokkos::Sum< value_type > reducer_view( sum_view );
 
       parallel_reduce( range, functor, reducer_view);
+      Kokkos::fence();
       sum = sum_view();
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 * N5 );
diff --git a/lib/kokkos/core/unit_test/TestPolicyConstruction.hpp b/lib/kokkos/core/unit_test/TestPolicyConstruction.hpp
index efbb32e387672944f657f911b38b000d13ec0c75..be744a77122a49843efdd4512bb21413b08f5cc2 100644
--- a/lib/kokkos/core/unit_test/TestPolicyConstruction.hpp
+++ b/lib/kokkos/core/unit_test/TestPolicyConstruction.hpp
@@ -476,6 +476,9 @@ private:
   void test_run_time_parameters_type() {
     int league_size = 131;
     int team_size = 4 < policy_t::execution_space::concurrency() ? 4 : policy_t::execution_space::concurrency();
+#ifdef KOKKOS_ENABLE_HPX
+    team_size = 1;
+#endif
     int chunk_size = 4;
     int per_team_scratch = 1024;
     int per_thread_scratch = 16;
diff --git a/lib/kokkos/core/unit_test/TestReduceCombinatorical.hpp b/lib/kokkos/core/unit_test/TestReduceCombinatorical.hpp
index fe947fe14e3d834853a86db0e2a527a4b29de2d7..293cc0ca594ba45895c3a0151b9598330e0dcfd5 100644
--- a/lib/kokkos/core/unit_test/TestReduceCombinatorical.hpp
+++ b/lib/kokkos/core/unit_test/TestReduceCombinatorical.hpp
@@ -453,15 +453,18 @@ struct TestReduceCombinatoricalInstantiation {
 
     result_view() = 0;
     CallParallelReduce( args..., result_view );
+    Kokkos::fence();
     ASSERT_EQ( expected_result, result_view() );
 
     value = 0;
     CallParallelReduce( args..., Kokkos::View< double, Kokkos::HostSpace, Kokkos::MemoryTraits<Kokkos::Unmanaged> >( &value ) );
+    Kokkos::fence();
     ASSERT_EQ( expected_result, value );
 
     result_view() = 0;
     const Kokkos::View< double, Kokkos::HostSpace, Kokkos::MemoryTraits<Kokkos::Unmanaged> > result_view_const_um = result_view;
     CallParallelReduce( args..., result_view_const_um );
+    Kokkos::fence();
     ASSERT_EQ( expected_result, result_view_const_um() );
 
     value = 0;
@@ -526,18 +529,21 @@ struct TestReduceCombinatoricalInstantiation {
     h_r() = 0;
     Kokkos::deep_copy( result_view, h_r );
     CallParallelReduce( args..., Test::ReduceCombinatorical::FunctorScalarFinal< ISTEAM >( result_view ) );
+    Kokkos::fence();
     Kokkos::deep_copy( h_r, result_view );
     ASSERT_EQ( expected_result, h_r() );
 
     h_r() = 0;
     Kokkos::deep_copy( result_view, h_r );
     CallParallelReduce( args..., Test::ReduceCombinatorical::FunctorScalarJoinFinal< ISTEAM >( result_view ) );
+    Kokkos::fence();
     Kokkos::deep_copy( h_r, result_view );
     ASSERT_EQ( expected_result, h_r() );
 
     h_r() = 0;
     Kokkos::deep_copy( result_view, h_r );
     CallParallelReduce( args..., Test::ReduceCombinatorical::FunctorScalarJoinFinalInit< ISTEAM >( result_view ) );
+    Kokkos::fence();
     Kokkos::deep_copy( h_r, result_view );
     ASSERT_EQ( expected_result, h_r() );
   }
diff --git a/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp b/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
index 4f65166e373ce90e1c6d4e523b61a97215824291..d55c5449bcf1ff844dcb94bb2f6e39f068a63cee 100644
--- a/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
+++ b/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
@@ -30,7 +30,7 @@ void test_reduce_device_view(int64_t N, PolicyType policy, ReduceFunctor functor
        TestIsAsynchFunctor(atomic_test));
      double time0 = timer.seconds();
      timer.reset();
-     ExecSpace::execution_space::fence();
+     typename ExecSpace::execution_space().fence();
      double time_fence0 = timer.seconds(); 
      Kokkos::deep_copy(result,0);
      timer.reset();
@@ -42,7 +42,7 @@ void test_reduce_device_view(int64_t N, PolicyType policy, ReduceFunctor functor
      double time1 = timer.seconds();
      // Check whether it was asyncronous
      timer.reset();
-     ExecSpace::execution_space::fence();
+     typename ExecSpace::execution_space().fence();
      double time_fence1 = timer.seconds();    
      Kokkos::deep_copy(reducer_result,result);    
      Kokkos::deep_copy(result,0);
@@ -55,7 +55,7 @@ void test_reduce_device_view(int64_t N, PolicyType policy, ReduceFunctor functor
      double time2 = timer.seconds();
      // Check whether it was asyncronous
      timer.reset();
-     ExecSpace::execution_space::fence();
+     typename ExecSpace::execution_space().fence();
      double time_fence2 = timer.seconds();    
      Kokkos::deep_copy(view_result,result);    
      Kokkos::deep_copy(result,0);
@@ -69,7 +69,7 @@ void test_reduce_device_view(int64_t N, PolicyType policy, ReduceFunctor functor
 
      // Check whether it was asyncronous
      timer.reset();
-     ExecSpace::execution_space::fence();
+     typename ExecSpace::execution_space().fence();
      double time_fence3 = timer.seconds();
 
      ASSERT_EQ(N,scalar_result); 
diff --git a/lib/kokkos/core/unit_test/TestReducers.hpp b/lib/kokkos/core/unit_test/TestReducers.hpp
index 7270ea33754efc8259ad610f37c64b3e3ef67480..1d775744123e70f895d4598c733fae8fd6ca0450 100644
--- a/lib/kokkos/core/unit_test/TestReducers.hpp
+++ b/lib/kokkos/core/unit_test/TestReducers.hpp
@@ -319,6 +319,7 @@ struct TestReducers {
       sum_view() = init;
       Kokkos::Sum< Scalar > reducer_view( sum_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar sum_view_scalar = sum_view();
       ASSERT_EQ( sum_view_scalar, reference_sum );
@@ -365,6 +366,7 @@ struct TestReducers {
       prod_view() = init;
       Kokkos::Prod< Scalar > reducer_view( prod_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar prod_view_scalar = prod_view();
       ASSERT_EQ( prod_view_scalar, reference_prod );
@@ -412,6 +414,7 @@ struct TestReducers {
       min_view() = init;
       Kokkos::Min< Scalar > reducer_view( min_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar min_view_scalar = min_view();
       ASSERT_EQ( min_view_scalar, reference_min );
@@ -459,6 +462,7 @@ struct TestReducers {
       max_view() = init;
       Kokkos::Max< Scalar > reducer_view( max_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar max_view_scalar = max_view();
       ASSERT_EQ( max_view_scalar, reference_max );
@@ -517,6 +521,7 @@ struct TestReducers {
       Kokkos::View< value_type, Kokkos::HostSpace > min_view( "View" );
       Kokkos::MinLoc< Scalar, int > reducer_view( min_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       value_type min_view_scalar = min_view();
       ASSERT_EQ( min_view_scalar.val, reference_min );
@@ -577,6 +582,7 @@ struct TestReducers {
       Kokkos::View< value_type, Kokkos::HostSpace > max_view( "View" );
       Kokkos::MaxLoc< Scalar, int > reducer_view( max_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       value_type max_view_scalar = max_view();
       ASSERT_EQ( max_view_scalar.val, reference_max );
@@ -687,6 +693,7 @@ struct TestReducers {
        Kokkos::View< value_type, Kokkos::HostSpace > minmax_view( "View" );
        Kokkos::MinMaxLoc< Scalar, int > reducer_view( minmax_view );
        Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+       Kokkos::fence();
 
        value_type minmax_view_scalar = minmax_view();
        ASSERT_EQ( minmax_view_scalar.min_val, reference_min );
@@ -740,6 +747,7 @@ struct TestReducers {
       band_view() = init;
       Kokkos::BAnd< Scalar > reducer_view( band_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar band_view_scalar = band_view();
       ASSERT_EQ( band_view_scalar, reference_band );
@@ -786,6 +794,7 @@ struct TestReducers {
       bor_view() = init;
       Kokkos::BOr< Scalar > reducer_view( bor_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar bor_view_scalar = bor_view();
       ASSERT_EQ( bor_view_scalar, reference_bor );
@@ -832,6 +841,7 @@ struct TestReducers {
       land_view() = init;
       Kokkos::LAnd< Scalar > reducer_view( land_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar land_view_scalar = land_view();
       ASSERT_EQ( land_view_scalar, reference_land );
@@ -878,6 +888,7 @@ struct TestReducers {
       lor_view() = init;
       Kokkos::LOr< Scalar > reducer_view( lor_view );
       Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, N ), f, reducer_view );
+      Kokkos::fence();
 
       Scalar lor_view_scalar = lor_view();
       ASSERT_EQ( lor_view_scalar, reference_lor );
diff --git a/lib/kokkos/core/unit_test/TestScan.hpp b/lib/kokkos/core/unit_test/TestScan.hpp
index e021ed09f588dc870ea6c8ef76c832b52b7262f9..eaebb254a73036880aa182fd7d72e2a3df05d7a2 100644
--- a/lib/kokkos/core/unit_test/TestScan.hpp
+++ b/lib/kokkos/core/unit_test/TestScan.hpp
@@ -96,6 +96,7 @@ struct TestScan {
 
     long long int total = 0;
     Kokkos::parallel_scan( N, *this, total );
+
     run_check( size_t( ( N+1 )*N/2 ), size_t( total ) );
     check_error();
   }
@@ -109,6 +110,8 @@ struct TestScan {
     errors = errors_a;
     
     Kokkos::parallel_scan( exec_policy( Start , N ) , *this );
+    Kokkos::fence();
+
     check_error();
   }
 
@@ -138,7 +141,7 @@ TEST_F( TEST_CATEGORY, scan )
   TestScan< TEST_EXECSPACE >( 0 );
   TestScan< TEST_EXECSPACE >( 100000 );
   TestScan< TEST_EXECSPACE >( 10000000 );
-  TEST_EXECSPACE::fence();
+  TEST_EXECSPACE().fence();
 }
 
 
@@ -153,7 +156,7 @@ TEST_F( TEST_CATEGORY, scan )
   TestScanFunctor( 1000000 );
   TestScanFunctor( 10000000 );
 
-  TEST_EXECSPACE::fence();
+  TEST_EXECSPACE().fence();
 }*/
 
 
diff --git a/lib/kokkos/core/unit_test/TestSharedAlloc.hpp b/lib/kokkos/core/unit_test/TestSharedAlloc.hpp
index 1a942b89c8ef2bfa3db473f9f462b5ce00870628..c475fe55dc3291bdf7959b7673297ab6f7508fee 100644
--- a/lib/kokkos/core/unit_test/TestSharedAlloc.hpp
+++ b/lib/kokkos/core/unit_test/TestSharedAlloc.hpp
@@ -107,6 +107,8 @@ void test_shared_alloc()
       ASSERT_EQ( r[i], RecordMemS::get_record( r[i]->data() ) );
     });
 
+    Kokkos::fence();
+
 #ifdef KOKKOS_DEBUG
     // Sanity check for the whole set of allocation records to which this record belongs.
     RecordBase::is_sane( r[0] );
@@ -120,6 +122,8 @@ void test_shared_alloc()
 #endif
       }
     });
+
+    Kokkos::fence();
   }
 
   {
@@ -145,6 +149,8 @@ void test_shared_alloc()
       ASSERT_EQ( r[i], RecordMemS::get_record( r[i]->data() ) );
     });
 
+    Kokkos::fence();
+
 #ifdef KOKKOS_DEBUG
     RecordBase::is_sane( r[0] );
 #endif
@@ -157,6 +163,8 @@ void test_shared_alloc()
       }
     });
 
+    Kokkos::fence();
+
     ASSERT_EQ( destroy_count, int( N ) );
   }
 
@@ -196,12 +204,14 @@ void test_shared_alloc()
         ASSERT_EQ( track.use_count(), 1 );
       }
 
-      Kokkos::parallel_for( range, [=] ( size_t i ) {
+      Kokkos::parallel_for( range, [=] ( size_t ) {
         Tracker local_tracker;
         local_tracker.assign_allocated_record_to_uninitialized( rec );
         ASSERT_GT( rec->use_count(), 1 );
       });
 
+      Kokkos::fence();
+
       ASSERT_EQ( rec->use_count(), 1 );
       ASSERT_EQ( track.use_count(), 1 );
 
diff --git a/lib/kokkos/core/unit_test/TestTaskScheduler.hpp b/lib/kokkos/core/unit_test/TestTaskScheduler.hpp
index ac32a01fb8bb3e0e03681167203e0fc4e5b55c16..361e8da9e1501537f6766fc71c6e91d212721d97 100644
--- a/lib/kokkos/core/unit_test/TestTaskScheduler.hpp
+++ b/lib/kokkos/core/unit_test/TestTaskScheduler.hpp
@@ -47,11 +47,15 @@
 #include <Kokkos_Macros.hpp>
 #if defined( KOKKOS_ENABLE_TASKDAG )
 #include <Kokkos_Core.hpp>
+#include <impl/Kokkos_FixedBufferMemoryPool.hpp>
 #include <cstdio>
 #include <iostream>
 #include <cmath>
 
 
+//==============================================================================
+// <editor-fold desc="TestFib"> {{{1
+
 namespace TestTaskScheduler {
 
 namespace {
@@ -72,29 +76,30 @@ long eval_fib( long n )
 
 }
 
-template< typename Space >
+template< typename Scheduler >
 struct TestFib
 {
-  typedef Kokkos::TaskScheduler< Space >  sched_type;
-  typedef Kokkos::Future< long, Space >   future_type;
-  typedef long                            value_type;
+  using sched_type = Scheduler;
+  using future_type = Kokkos::BasicFuture< long, Scheduler >;
+  using value_type = long;
 
-  sched_type  sched;
   future_type fib_m1;
   future_type fib_m2;
   const value_type n;
 
   KOKKOS_INLINE_FUNCTION
-  TestFib( const sched_type & arg_sched, const value_type arg_n )
-    : sched( arg_sched ), fib_m1(), fib_m2(), n( arg_n ) {}
+  TestFib( const value_type arg_n )
+    : fib_m1(), fib_m2(), n( arg_n ) {}
 
   KOKKOS_INLINE_FUNCTION
-  void operator()( typename sched_type::member_type &, value_type & result )
+  void operator()( typename sched_type::member_type & member, value_type & result )
   {
 #if 0
     printf( "\nTestFib(%ld) %d %d\n", n, int( !fib_m1.is_null() ), int( !fib_m2.is_null() ) );
 #endif
 
+    auto& sched = member.scheduler();
+
     if ( n < 2 ) {
       result = n;
     }
@@ -107,13 +112,13 @@ struct TestFib
       // path to completion.
 
       fib_m2 = Kokkos::task_spawn( Kokkos::TaskSingle( sched, Kokkos::TaskPriority::High )
-                                 , TestFib( sched, n - 2 ) );
+                                 , TestFib( n - 2 ) );
 
       fib_m1 = Kokkos::task_spawn( Kokkos::TaskSingle( sched )
-                                 , TestFib( sched, n - 1 ) );
+                                 , TestFib( n - 1 ) );
 
-      Kokkos::Future< Space > dep[] = { fib_m1, fib_m2 };
-      Kokkos::Future< Space > fib_all = Kokkos::when_all( dep, 2 );
+      Kokkos::BasicFuture<void, Scheduler> dep[] = { fib_m1, fib_m2 };
+      Kokkos::BasicFuture<void, Scheduler> fib_all = sched.when_all( dep, 2 );
 
       if ( !fib_m2.is_null() && !fib_m1.is_null() && !fib_all.is_null() ) {
         // High priority to retire this branch.
@@ -123,9 +128,9 @@ struct TestFib
 #if 1
         printf( "TestFib(%ld) insufficient memory alloc_capacity(%d) task_max(%d) task_accum(%ld)\n"
                , n
-               , sched.allocation_capacity()
-               , sched.allocated_task_count_max()
-               , sched.allocated_task_count_accum()
+               , 0 //sched.allocation_capacity()
+               , 0 //sched.allocated_task_count_max()
+               , 0l //sched.allocated_task_count_accum()
                );
 #endif
 
@@ -149,12 +154,18 @@ struct TestFib
                          , std::min(size_t(MaxBlockSize),MemoryCapacity)
                          , std::min(size_t(SuperBlockSize),MemoryCapacity) );
 
-    future_type f = Kokkos::host_spawn( Kokkos::TaskSingle( root_sched )
-                                      , TestFib( root_sched, i ) );
+    {
+      future_type f = Kokkos::host_spawn( Kokkos::TaskSingle( root_sched )
+                                        , TestFib( i ) );
+
+      Kokkos::wait( root_sched );
+
+      ASSERT_EQ( eval_fib( i ), f.get() );
+    }
+
+    ASSERT_EQ(root_sched.queue().allocation_count(), 0);
 
-    Kokkos::wait( root_sched );
 
-    ASSERT_EQ( eval_fib( i ), f.get() );
 
 #if 0
     fprintf( stdout, "\nTestFib::run(%d) spawn_size(%d) when_all_size(%d) alloc_capacity(%d) task_max(%d) task_accum(%ld)\n"
@@ -172,32 +183,36 @@ struct TestFib
 
 } // namespace TestTaskScheduler
 
+// </editor-fold> end TestFib }}}1
+//==============================================================================
+
 //----------------------------------------------------------------------------
 
+//==============================================================================
+// <editor-fold desc="TestTaskDependence"> {{{1
+
 namespace TestTaskScheduler {
 
-template< class Space >
+template< class Scheduler >
 struct TestTaskDependence {
-  typedef Kokkos::TaskScheduler< Space >  sched_type;
-  typedef Kokkos::Future< Space >         future_type;
-  typedef Kokkos::View< long, Space >     accum_type;
+  typedef Scheduler  sched_type;
+  typedef Kokkos::BasicFuture< void, Scheduler > future_type;
+  typedef Kokkos::View< long, typename sched_type::execution_space >     accum_type;
   typedef void                            value_type;
 
-  sched_type  m_sched;
   accum_type  m_accum;
   long        m_count;
 
   KOKKOS_INLINE_FUNCTION
   TestTaskDependence( long n
-                    , const sched_type & arg_sched
                     , const accum_type & arg_accum )
-    : m_sched( arg_sched )
-    , m_accum( arg_accum )
+    : m_accum( arg_accum )
     , m_count( n ) {}
 
   KOKKOS_INLINE_FUNCTION
-  void operator()( typename sched_type::member_type & )
+  void operator()( typename sched_type::member_type & member )
   {
+    auto& sched = member.scheduler();
     enum { CHUNK = 8 };
     const int n = CHUNK < m_count ? CHUNK : m_count;
 
@@ -206,14 +221,14 @@ struct TestTaskDependence {
       const int increment = ( m_count + n - 1 ) / n;
 
       future_type f =
-        m_sched.when_all( n , [this,increment]( int i ) {
+        sched.when_all( n , [this,&member,increment]( int i ) {
           const long inc   = increment ;
           const long begin = i * inc ;
           const long count = begin + inc < m_count ? inc : m_count - begin ;
 
           return Kokkos::task_spawn
-            ( Kokkos::TaskSingle( m_sched )
-            , TestTaskDependence( count, m_sched, m_accum ) );
+            ( Kokkos::TaskSingle( member.scheduler() )
+            , TestTaskDependence( count, m_accum ) );
         });
 
       m_count = 0;
@@ -244,7 +259,7 @@ struct TestTaskDependence {
 
     typename accum_type::HostMirror host_accum = Kokkos::create_mirror_view( accum );
 
-    Kokkos::host_spawn( Kokkos::TaskSingle( sched ), TestTaskDependence( n, sched, accum ) );
+    Kokkos::host_spawn( Kokkos::TaskSingle( sched ), TestTaskDependence( n, accum ) );
 
     Kokkos::wait( sched );
 
@@ -256,22 +271,25 @@ struct TestTaskDependence {
 
 } // namespace TestTaskScheduler
 
+// </editor-fold> end TestTaskDependence }}}1
+//==============================================================================
+
 //----------------------------------------------------------------------------
 
 namespace TestTaskScheduler {
 
-template< class ExecSpace >
+template< class Scheduler >
 struct TestTaskTeam {
   //enum { SPAN = 8 };
   enum { SPAN = 33 };
   //enum { SPAN = 1 };
 
   typedef void                                value_type;
-  typedef Kokkos::TaskScheduler< ExecSpace >  sched_type;
-  typedef Kokkos::Future< ExecSpace >         future_type;
+  using sched_type = Scheduler;
+  using future_type = Kokkos::BasicFuture<void, sched_type>;
+  using ExecSpace = typename sched_type::execution_space;
   typedef Kokkos::View< long*, ExecSpace >    view_type;
 
-  sched_type   sched;
   future_type  future;
 
   view_type   parfor_result;
@@ -281,14 +299,12 @@ struct TestTaskTeam {
   const long  nvalue;
 
   KOKKOS_INLINE_FUNCTION
-  TestTaskTeam( const sched_type & arg_sched
-              , const view_type  & arg_parfor_result
+  TestTaskTeam( const view_type  & arg_parfor_result
               , const view_type  & arg_parreduce_check
               , const view_type  & arg_parscan_result
               , const view_type  & arg_parscan_check
               , const long         arg_nvalue )
-    : sched( arg_sched )
-    , future()
+    : future()
     , parfor_result( arg_parfor_result )
     , parreduce_check( arg_parreduce_check )
     , parscan_result( arg_parscan_result )
@@ -298,21 +314,22 @@ struct TestTaskTeam {
   KOKKOS_INLINE_FUNCTION
   void operator()( typename sched_type::member_type & member )
   {
+    auto& sched = member.scheduler();
     const long end   = nvalue + 1;
+    // begin = max(end - SPAN, 0);
     const long begin = 0 < end - SPAN ? end - SPAN : 0;
 
     if ( 0 < begin && future.is_null() ) {
       if ( member.team_rank() == 0 ) {
         future = Kokkos::task_spawn( Kokkos::TaskTeam( sched )
-                                   , TestTaskTeam( sched
-                                                 , parfor_result
+                                   , TestTaskTeam( parfor_result
                                                  , parreduce_check
                                                  , parscan_result
                                                  , parscan_check
                                                  , begin - 1 )
                                    );
 
-        #ifndef __HCC_ACCELERATOR__
+        #if !defined(__HCC_ACCELERATOR__) && !defined(__CUDA_ARCH__)
         assert( !future.is_null() );
         #endif
 
@@ -449,8 +466,7 @@ struct TestTaskTeam {
       host_parscan_check = Kokkos::create_mirror_view( root_parscan_check );
 
     future_type f = Kokkos::host_spawn( Kokkos::TaskTeam( root_sched )
-                                      , TestTaskTeam( root_sched
-                                                    , root_parfor_result
+                                      , TestTaskTeam( root_parfor_result
                                                     , root_parreduce_check
                                                     , root_parscan_result
                                                     , root_parscan_check
@@ -492,27 +508,25 @@ struct TestTaskTeam {
   }
 };
 
-template< class ExecSpace >
+template< class Scheduler >
 struct TestTaskTeamValue {
   enum { SPAN = 8 };
 
   typedef long                                     value_type;
-  typedef Kokkos::TaskScheduler< ExecSpace >       sched_type;
-  typedef Kokkos::Future< value_type, ExecSpace >  future_type;
+  using sched_type = Scheduler;
+  using future_type = Kokkos::BasicFuture< value_type, sched_type >;
+  using ExecSpace = typename sched_type::execution_space;
   typedef Kokkos::View< long*, ExecSpace >         view_type;
 
-  sched_type   sched;
   future_type  future;
 
   view_type   result;
   const long  nvalue;
 
   KOKKOS_INLINE_FUNCTION
-  TestTaskTeamValue( const sched_type & arg_sched
-                   , const view_type  & arg_result
+  TestTaskTeamValue( const view_type  & arg_result
                    , const long         arg_nvalue )
-    : sched( arg_sched )
-    , future()
+    : future()
     , result( arg_result )
     , nvalue( arg_nvalue ) {}
 
@@ -523,12 +537,16 @@ struct TestTaskTeamValue {
     const long end   = nvalue + 1;
     const long begin = 0 < end - SPAN ? end - SPAN : 0;
 
+    auto& sched = member.scheduler();
+
     if ( 0 < begin && future.is_null() ) {
       if ( member.team_rank() == 0 ) {
-        future = sched.task_spawn( TestTaskTeamValue( sched, result, begin - 1 )
+        future = sched.task_spawn( TestTaskTeamValue( result, begin - 1 )
                                  , Kokkos::TaskTeam );
 
+        #if !defined(__HCC_ACCELERATOR__) && !defined(__CUDA_ARCH__)
         assert( !future.is_null() );
+        #endif
 
         sched.respawn( this , future );
       }
@@ -565,7 +583,7 @@ struct TestTaskTeamValue {
 
     typename view_type::HostMirror host_result = Kokkos::create_mirror_view( root_result );
 
-    future_type fv = root_sched.host_spawn( TestTaskTeamValue( root_sched, root_result, n )
+    future_type fv = root_sched.host_spawn( TestTaskTeamValue( root_result, n )
                                           , Kokkos::TaskTeam );
 
     Kokkos::wait( root_sched );
@@ -594,31 +612,30 @@ struct TestTaskTeamValue {
 
 namespace TestTaskScheduler {
 
-template< class Space >
+template< class Scheduler >
 struct TestTaskSpawnWithPool {
-  typedef Kokkos::TaskScheduler< Space >  sched_type;
-  typedef Kokkos::Future< Space >         future_type;
+  using sched_type = Scheduler;
+  using future_type = Kokkos::BasicFuture<void, sched_type>;
   typedef void                            value_type;
+  using Space = typename sched_type::execution_space;
 
-  sched_type   m_sched ;
   int  m_count ;
   Kokkos::MemoryPool<Space> m_pool ;
 
   KOKKOS_INLINE_FUNCTION
-  TestTaskSpawnWithPool( const sched_type & arg_sched
-               , const int & arg_count
-               , const Kokkos::MemoryPool<Space> & arg_pool
-               )
-    : m_sched( arg_sched )
-    , m_count( arg_count )
+  TestTaskSpawnWithPool(
+    const int & arg_count,
+    const Kokkos::MemoryPool<Space> & arg_pool
+  )
+    : m_count( arg_count )
     , m_pool( arg_pool )
     {}
 
   KOKKOS_INLINE_FUNCTION
-  void operator()( typename sched_type::member_type & )
+  void operator()( typename sched_type::member_type & member )
   {
     if ( m_count ) {
-      Kokkos::task_spawn( Kokkos::TaskSingle( m_sched ) , TestTaskSpawnWithPool( m_sched , m_count - 1, m_pool ) );
+      Kokkos::task_spawn( Kokkos::TaskSingle( member.scheduler() ) , TestTaskSpawnWithPool( m_count - 1, m_pool ) );
     }
   }
 
@@ -639,7 +656,7 @@ struct TestTaskSpawnWithPool {
 
     using other_memory_space = typename Space::memory_space;
     Kokkos::MemoryPool<Space> pool(other_memory_space(), 10000, 100, 200, 1000);
-    auto f = Kokkos::host_spawn( Kokkos::TaskSingle( sched ), TestTaskSpawnWithPool( sched, 3, pool ) );
+    auto f = Kokkos::host_spawn( Kokkos::TaskSingle( sched ), TestTaskSpawnWithPool( 3, pool ) );
 
     Kokkos::wait( sched );
   }
@@ -647,36 +664,307 @@ struct TestTaskSpawnWithPool {
 
 }
 
-namespace Test {
+//----------------------------------------------------------------------------
 
-TEST_F( TEST_CATEGORY, task_fib )
-{
-  const int N = 27 ;
-  for ( int i = 0; i < N; ++i ) {
-    TestTaskScheduler::TestFib< TEST_EXECSPACE >::run( i , ( i + 1 ) * ( i + 1 ) * 2000 );
+namespace TestTaskScheduler {
+
+template< class Scheduler >
+struct TestTaskCtorsDevice {
+  using sched_type = Scheduler;
+  using future_type = Kokkos::BasicFuture<void, sched_type>;
+  using value_type = void;
+  using Space = typename sched_type::execution_space;
+
+  int m_count;
+
+  KOKKOS_INLINE_FUNCTION
+  TestTaskCtorsDevice(const int & arg_count) : m_count(arg_count) { }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(typename sched_type::member_type& member )
+  {
+    // Note: Default construction on the device is not allowed
+    if(m_count == 4) {
+      Kokkos::task_spawn(
+        Kokkos::TaskSingle(member.scheduler()),
+        TestTaskCtorsDevice(m_count - 1)
+      );
+    }
+    else if(m_count == 3) {
+      sched_type s = member.scheduler(); // move construct
+      s = member.scheduler(); // move assignment
+      Kokkos::task_spawn(
+        Kokkos::TaskSingle(s),
+        TestTaskCtorsDevice(m_count - 1)
+      );
+    }
+    else if(m_count == 2) {
+      sched_type s3 = member.scheduler(); // move construct from member.scheduler();
+      Kokkos::task_spawn(
+        Kokkos::TaskSingle(s3),
+        TestTaskCtorsDevice(m_count - 1)
+      );
+    }
+    else if(m_count == 1) {
+      sched_type s = member.scheduler(); // move construct from member.scheduler();
+      sched_type s2 = s; // copy construct from s
+      Kokkos::task_spawn(
+        Kokkos::TaskSingle(s2),
+        TestTaskCtorsDevice(m_count - 1)
+      );
+    }
   }
-}
 
-TEST_F( TEST_CATEGORY, task_depend )
-{
-  for ( int i = 0; i < 25; ++i ) {
-    TestTaskScheduler::TestTaskDependence< TEST_EXECSPACE >::run( i );
+  static void run()
+  {
+    using memory_space = typename sched_type::memory_space;
+
+    enum { MemoryCapacity = 16000 };
+    enum { MinBlockSize   =   64 };
+    enum { MaxBlockSize   = 1024 };
+    enum { SuperBlockSize = 4096 };
+
+    sched_type sched(
+      memory_space(), MemoryCapacity, MinBlockSize, MaxBlockSize, SuperBlockSize
+    );
+
+    auto f = Kokkos::host_spawn(
+      Kokkos::TaskSingle(sched),
+      TestTaskCtorsDevice(4)
+    );
+
+    Kokkos::wait(sched);
+
+    // TODO assertions and sanity checks
+
   }
-}
+};
 
-TEST_F( TEST_CATEGORY, task_team )
-{
-  TestTaskScheduler::TestTaskTeam< TEST_EXECSPACE >::run( 1000 );
-  //TestTaskScheduler::TestTaskTeamValue< TEST_EXECSPACE >::run( 1000 ); // Put back after testing.
 }
 
-TEST_F( TEST_CATEGORY, task_with_mempool )
-{
-  TestTaskScheduler::TestTaskSpawnWithPool< TEST_EXECSPACE >::run();
-}
+//----------------------------------------------------------------------------
+
+
+namespace TestTaskScheduler {
+
+template<class Scheduler>
+struct TestMultipleDependence {
+
+  using sched_type = Scheduler;
+  using future_bool = Kokkos::BasicFuture<bool, sched_type>;
+  using future_int = Kokkos::BasicFuture<int, sched_type>;
+  using value_type = bool;
+  using execution_space = typename sched_type::execution_space;
+
+  enum : int { NPerDepth = 6 };
+  enum : int { NFanout = 3 };
+
+  // xlC doesn't like incomplete aggregate constructors, so we have do do this manually:
+  KOKKOS_INLINE_FUNCTION
+  TestMultipleDependence(int depth, int max_depth)
+    : m_depth(depth),
+      m_max_depth(max_depth),
+      m_dep()
+  { 
+    // gcc 4.8 has an internal compile error when I give the initializer in the class, so I have do do it here
+    for(int i = 0; i < NPerDepth; ++i) {
+      m_result_futures[i] = future_bool();
+    }
+  }
+
+  // xlC doesn't like incomplete aggregate constructors, so we have do do this manually:
+  KOKKOS_INLINE_FUNCTION
+  TestMultipleDependence(int depth, int max_depth, future_int dep)
+    : m_depth(depth),
+      m_max_depth(max_depth),
+      m_dep(dep)
+  { 
+    // gcc 4.8 has an internal compile error when I give the initializer in the class, so I have do do it here
+    for(int i = 0; i < NPerDepth; ++i) {
+      m_result_futures[i] = future_bool();
+    }
+  }
+
+  int m_depth;
+  int m_max_depth;
+  future_int m_dep;
+  future_bool m_result_futures[NPerDepth];
+
+
+  struct TestCheckReady {
+     future_int m_dep;
+     using value_type = bool;
+     KOKKOS_INLINE_FUNCTION
+     void operator()(typename Scheduler::member_type&, bool& value) {
+       // if it was "transiently" ready, this could be false even if we made it a dependence of this task
+       value = m_dep.is_ready();
+       return;
+     }
+  };
+     
+
+  struct TestComputeValue {
+    using value_type = int;
+    KOKKOS_INLINE_FUNCTION
+    void operator()(typename Scheduler::member_type&, int& result) {
+      double value = 0;
+      // keep this one busy for a while
+      for(int i = 0; i < 10000; ++i) {
+        value += i * i / 7.138 / value;
+      }
+      // Do something irrelevant
+      result = int(value) << 2;
+      return;
+    }
+  };
+
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(typename sched_type::member_type & member, bool& value)
+  {
+    if(m_result_futures[0].is_null()) {
+      if (m_depth == 0) {
+        // Spawn one expensive task at the root
+        m_dep = Kokkos::task_spawn(Kokkos::TaskSingle(member.scheduler()), TestComputeValue{});
+      }
+
+      // Then check for it to be ready in a whole bunch of other tasks that race
+      int n_checkers = NPerDepth;
+      if(m_depth < m_max_depth) {
+        n_checkers -= NFanout;
+        for(int i = n_checkers; i < NPerDepth; ++i) {
+          m_result_futures[i] = Kokkos::task_spawn(Kokkos::TaskSingle(member.scheduler()),
+            TestMultipleDependence<Scheduler>(m_depth + 1, m_max_depth, m_dep)
+          );
+        }
+      }
+
+      for(int i = 0; i < n_checkers; ++i) {
+        m_result_futures[i] = member.scheduler().spawn(Kokkos::TaskSingle(m_dep), TestCheckReady{m_dep});
+      }
+      auto done = member.scheduler().when_all(m_result_futures, NPerDepth);
+      Kokkos::respawn(this, done);
+
+      return;
+    }
+    else {
+      value = true;
+      for(int i = 0; i < NPerDepth; ++i) {
+        value = value && !m_result_futures[i].is_null();
+        if(value) {
+          value = value && m_result_futures[i].get();
+        }
+      }
+      return;
+    }
+  }
+
+  static void run(int depth)
+  {
+    typedef typename sched_type::memory_space memory_space;
+
+    enum { MemoryCapacity = 1 << 30 };
+    enum { MinBlockSize   =   64 };
+    enum { MaxBlockSize   = 1024 };
+    enum { SuperBlockSize = 4096 };
+
+    sched_type sched( memory_space()
+                    , MemoryCapacity
+                    , MinBlockSize
+                    , MaxBlockSize
+                    , SuperBlockSize );
+
+    auto f = Kokkos::host_spawn( Kokkos::TaskSingle( sched ), TestMultipleDependence<Scheduler>( 0, depth )  );
+
+    Kokkos::wait( sched );
+
+    ASSERT_TRUE( f.get() );
+
+  }
+};
 
 }
 
+//----------------------------------------------------------------------------
+
+#define KOKKOS_PP_CAT_IMPL(x, y) x ## y
+#define KOKKOS_TEST_WITH_SUFFIX(x, y) KOKKOS_PP_CAT_IMPL(x, y)
+
+#define TEST_SCHEDULER_SUFFIX _deprecated
+#define TEST_SCHEDULER Kokkos::DeprecatedTaskScheduler<TEST_EXECSPACE>
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+#define TEST_SCHEDULER_SUFFIX _deprecated_multiple
+#define TEST_SCHEDULER Kokkos::DeprecatedTaskSchedulerMultiple<TEST_EXECSPACE>
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+
+#define TEST_SCHEDULER_SUFFIX _single
+#define TEST_SCHEDULER Kokkos::TaskScheduler<TEST_EXECSPACE>
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+#define TEST_SCHEDULER_SUFFIX _multiple
+#define TEST_SCHEDULER Kokkos::TaskSchedulerMultiple<TEST_EXECSPACE>
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+
+#define TEST_SCHEDULER_SUFFIX _chase_lev
+#define TEST_SCHEDULER Kokkos::ChaseLevTaskScheduler<TEST_EXECSPACE>
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+#if 0
+#define TEST_SCHEDULER_SUFFIX _fixed_mempool
+#define TEST_SCHEDULER \
+      Kokkos::SimpleTaskScheduler< \
+        TEST_EXECSPACE, \
+        Kokkos::Impl::SingleTaskQueue< \
+          TEST_EXECSPACE, \
+          Kokkos::Impl::default_tasking_memory_space_for_execution_space_t<TEST_EXECSPACE>, \
+          Kokkos::Impl::TaskQueueTraitsLockBased, \
+          Kokkos::Impl::FixedBlockSizeMemoryPool< \
+            Kokkos::Device<TEST_EXECSPACE, Kokkos::Impl::default_tasking_memory_space_for_execution_space_t<TEST_EXECSPACE>>, \
+            128, \
+            16 \
+          > \
+        > \
+      >
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+
+#define TEST_SCHEDULER_SUFFIX _fixed_mempool_multiple
+#define TEST_SCHEDULER \
+      Kokkos::SimpleTaskScheduler< \
+        TEST_EXECSPACE, \
+        Kokkos::Impl::MultipleTaskQueue< \
+          TEST_EXECSPACE, \
+          Kokkos::Impl::default_tasking_memory_space_for_execution_space_t<TEST_EXECSPACE>, \
+          Kokkos::Impl::TaskQueueTraitsLockBased, \
+          Kokkos::Impl::FixedBlockSizeMemoryPool< \
+            Kokkos::Device<TEST_EXECSPACE, Kokkos::Impl::default_tasking_memory_space_for_execution_space_t<TEST_EXECSPACE>>, \
+            128, \
+            16 \
+          > \
+        > \
+      >
+#include "TestTaskScheduler_single.hpp"
+#undef TEST_SCHEDULER
+#undef TEST_SCHEDULER_SUFFIX
+#endif
+
+#undef KOKKOS_TEST_WITH_SUFFIX
+#undef KOKKOS_PP_CAT_IMPL
+
 #endif // #if defined( KOKKOS_ENABLE_TASKDAG )
 #endif // #ifndef KOKKOS_UNITTEST_TASKSCHEDULER_HPP
 
diff --git a/lib/kokkos/core/unit_test/TestTaskScheduler_single.hpp b/lib/kokkos/core/unit_test/TestTaskScheduler_single.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..6ac9a6d74038dba76007f9a6e6c1d62f177abf44
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestTaskScheduler_single.hpp
@@ -0,0 +1,92 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_fib, TEST_SCHEDULER_SUFFIX) )
+{
+  const int N = 27 ;
+  for ( int i = 0; i < N; ++i ) {
+    TestTaskScheduler::TestFib< TEST_SCHEDULER >::run( i , ( i + 1 ) * ( i + 1 ) * 64000 );
+  }
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_depend, TEST_SCHEDULER_SUFFIX) )
+{
+  for ( int i = 0; i < 25; ++i ) {
+    TestTaskScheduler::TestTaskDependence< TEST_SCHEDULER >::run( i );
+  }
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_team, TEST_SCHEDULER_SUFFIX) )
+{
+  TestTaskScheduler::TestTaskTeam< TEST_SCHEDULER >::run( 1000 );
+  //TestTaskScheduler::TestTaskTeamValue< TEST_EXECSPACE >::run( 1000 ); // Put back after testing.
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_with_mempool, TEST_SCHEDULER_SUFFIX) )
+{
+  TestTaskScheduler::TestTaskSpawnWithPool<TEST_SCHEDULER>::run();
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_multiple_depend, TEST_SCHEDULER_SUFFIX) )
+{
+  for ( int i = 2; i < 6; ++i ) {
+    TestTaskScheduler::TestMultipleDependence<TEST_SCHEDULER>::run( i );
+  }
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_scheduler_ctors, TEST_SCHEDULER_SUFFIX) )
+{
+  TEST_SCHEDULER sched;
+  TEST_SCHEDULER sched2 = sched;
+  sched = sched2;
+}
+
+TEST_F( TEST_CATEGORY, KOKKOS_TEST_WITH_SUFFIX(task_scheduer_ctors_device, TEST_SCHEDULER_SUFFIX) )
+{
+  TestTaskScheduler::TestTaskCtorsDevice<TEST_SCHEDULER>::run();
+}
+
+
+} // end namespace Test
\ No newline at end of file
diff --git a/lib/kokkos/core/unit_test/TestTeam.hpp b/lib/kokkos/core/unit_test/TestTeam.hpp
index 487a4d581c9ab6c399a670da11d4df734a5c5e76..5f325eb905355b000625234b550a83be6ab3f20c 100644
--- a/lib/kokkos/core/unit_test/TestTeam.hpp
+++ b/lib/kokkos/core/unit_test/TestTeam.hpp
@@ -72,6 +72,7 @@ struct TestTeamPolicy {
     const int tid = member.team_rank() + member.team_size() * member.league_rank();
 
     m_flags( member.team_rank(), member.league_rank() ) = tid;
+    static_assert((std::is_same<typename team_member::execution_space,ExecSpace>::value),"TeamMember::execution_space is not the same as TeamPolicy<>::execution_space");
   }
 
   KOKKOS_INLINE_FUNCTION
@@ -265,7 +266,7 @@ public:
       Kokkos::parallel_reduce( team_exec, functor_type( nwork ), tmp );
     }
 
-    execution_space::fence();
+    execution_space().fence();
 
     for ( unsigned i = 0; i < Repeat; ++i ) {
       for ( unsigned j = 0; j < Count; ++j ) {
@@ -391,7 +392,7 @@ public:
       Kokkos::deep_copy( functor.accum, total );
 
       Kokkos::parallel_reduce( team_exec, functor, result_type( & error ) );
-      DeviceType::fence();
+      DeviceType().fence();
 
       Kokkos::deep_copy( accum, functor.accum );
       Kokkos::deep_copy( total, functor.total );
@@ -400,7 +401,7 @@ public:
       ASSERT_EQ( total, accum );
     }
 
-    execution_space::fence();
+    execution_space().fence();
   }
 };
 
@@ -495,6 +496,7 @@ struct TestSharedTeam {
     typename Functor::value_type error_count = 0;
 
     Kokkos::parallel_reduce( team_exec, Functor(), result_type( & error_count ) );
+    Kokkos::fence();
 
     ASSERT_EQ( error_count, 0 );
   }
@@ -569,6 +571,8 @@ struct TestLambdaSharedTeam {
       }
     }, result_type( & error_count ) );
 
+    Kokkos::fence();
+
     ASSERT_EQ( error_count, 0 );
   }
 };
@@ -679,6 +683,7 @@ struct TestScratchTeam {
     Kokkos::parallel_reduce( team_exec.set_scratch_size( 1, Kokkos::PerTeam( team_scratch_size ),
                                                          Kokkos::PerThread( thread_scratch_size ) ),
                              Functor(), result_type( & error_count ) );
+    Kokkos::fence();
     ASSERT_EQ( error_count, 0 );
   }
 };
@@ -822,7 +827,6 @@ struct ClassNoShmemSizeFunction {
       Kokkos::TeamPolicy< TagReduce, ExecSpace, ScheduleType > policy( 10, team_size, 16 );
 
       Kokkos::parallel_reduce( policy.set_scratch_size( 0, Kokkos::PerTeam( per_team0 ), Kokkos::PerThread( per_thread0 ) ).set_scratch_size( 1, Kokkos::PerTeam( per_team1 ), Kokkos::PerThread( per_thread1 ) ), *this, error );
-      Kokkos::fence();
 
       ASSERT_EQ( error, 0 );
     }
@@ -877,7 +881,6 @@ struct ClassWithShmemSizeFunction {
       Kokkos::parallel_reduce( policy.set_scratch_size( 1, Kokkos::PerTeam( per_team1 ),
                                                         Kokkos::PerThread( per_thread1 ) ),
                                *this, error );
-      Kokkos::fence();
 
       ASSERT_EQ( error, 0 );
     }
@@ -929,7 +932,6 @@ void test_team_mulit_level_scratch_test_lambda() {
     count += test_team_mulit_level_scratch_loop_body< ExecSpace >( team );
   }, error );
   ASSERT_EQ( error, 0 );
-  Kokkos::fence();
 #endif
 #endif
 }
diff --git a/lib/kokkos/core/unit_test/TestTeamVector.hpp b/lib/kokkos/core/unit_test/TestTeamVector.hpp
index 498d156db3935a8a135d81e0e9c4912b3ac22ef1..45433012f976da86b35a885e0911bc9f019367b3 100644
--- a/lib/kokkos/core/unit_test/TestTeamVector.hpp
+++ b/lib/kokkos/core/unit_test/TestTeamVector.hpp
@@ -290,17 +290,23 @@ struct functor_team_reduce {
   functor_team_reduce( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
   typedef typename ExecutionSpace::scratch_memory_space shmem_space;
-  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
-  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_scalar_t;
+  unsigned team_shmem_size( int team_size ) const { return shared_scalar_t::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
     Scalar value = Scalar();
+    shared_scalar_t shared_value(team.team_scratch(0),1);
 
     Kokkos::parallel_reduce( Kokkos::TeamThreadRange( team, 131 ), [&] ( int i, Scalar & val )
     {
       val += i - team.league_rank() + team.league_size() + team.team_size();
     }, value );
+    
+    Kokkos::parallel_reduce( Kokkos::TeamThreadRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    }, shared_value(0) );
 
     team.team_barrier();
 
@@ -314,11 +320,20 @@ struct functor_team_reduce {
 
       if ( test != value ) {
         if ( team.league_rank() == 0 ) {
-          printf( "FAILED team_parallel_reduce %i %i %f %f %lu\n",
+          printf( "FAILED team_parallel_reduce %i %i %lf %lf %lu\n",
                   team.league_rank(), team.team_rank(),
                   static_cast<double>( test ), static_cast<double>( value ), sizeof( Scalar ) );
         }
 
+        flag() = 1;
+      }
+      if ( test != shared_value(0) ) {
+        if ( team.league_rank() == 0 ) {
+          printf( "FAILED team_parallel_reduce with shared result %i %i %lf %lf %lu\n",
+                  team.league_rank(), team.team_rank(),
+                  static_cast<double>( test ), static_cast<double>( shared_value(0) ), sizeof( Scalar ) );
+        }
+
         flag() = 1;
       }
     });
@@ -335,12 +350,13 @@ struct functor_team_reduce_reducer {
   functor_team_reduce_reducer( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
   typedef typename ExecutionSpace::scratch_memory_space shmem_space;
-  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
-  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_scalar_t;
+  unsigned team_shmem_size( int team_size ) const { return shared_scalar_t::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
     Scalar value = 0;
+    shared_scalar_t shared_value(team.team_scratch(0),1);
 
     Kokkos::parallel_reduce( Kokkos::TeamThreadRange( team, 131 ), [&] ( int i, Scalar & val )
     {
@@ -348,6 +364,13 @@ struct functor_team_reduce_reducer {
     },
       Kokkos::Sum<Scalar>(value)
     );
+    
+    Kokkos::parallel_reduce( Kokkos::TeamThreadRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    },
+      Kokkos::Sum<Scalar>(shared_value(0))
+    );
 
     team.team_barrier();
 
@@ -360,12 +383,19 @@ struct functor_team_reduce_reducer {
       }
 
       if ( test != value ) {
-        printf( "FAILED team_vector_parallel_reduce_reducer %i %i %f %f\n",
+        printf( "FAILED team_vector_parallel_reduce_reducer %i %i %lf %lf\n",
                 team.league_rank(), team.team_rank(),
                 static_cast<double>( test ), static_cast<double>( value ) );
 
         flag() = 1;
       }
+      if ( test != shared_value(0) ) {
+        printf( "FAILED team_vector_parallel_reduce_reducer shared value %i %i %lf %lf\n",
+                team.league_rank(), team.team_rank(),
+                static_cast<double>( test ), static_cast<double>( shared_value(0) ) );
+
+        flag() = 1;
+      }
     });
   }
 };
@@ -823,7 +853,6 @@ namespace Test {
 // ( modified from kokkos-tutorials/GTC2016/Exercises/ThreeLevelPar )
 
 #if ( ! defined( KOKKOS_ENABLE_CUDA ) ) || (defined( KOKKOS_ENABLE_CUDA_LAMBDA ) && (8000 <= CUDA_VERSION))
-
 template< typename ScalarType, class DeviceType >
 class TestTripleNestedReduce
 {
@@ -843,6 +872,14 @@ public:
     if( team_size > size_type(DeviceType::execution_space::concurrency()))
       team_size = size_type(DeviceType::execution_space::concurrency());
 
+#ifdef KOKKOS_ENABLE_HPX
+    team_size = 1;
+    if (!std::is_same<execution_space, Kokkos::Experimental::HPX>::value)
+    {
+        team_size = 1;
+    }
+#endif
+
     //typedef Kokkos::LayoutLeft Layout;
     typedef Kokkos::LayoutRight Layout;
 
@@ -962,6 +999,8 @@ TEST_F( TEST_CATEGORY, triple_nested_parallelism )
   }
 #endif
   TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 16, 16 );
+  TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 16, 33 );
+  TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 16, 19 );
 #ifdef KOKKOS_ENABLE_ROCM // ROCm doesn't support team sizes not powers of two
   if (!std::is_same<TEST_EXECSPACE, Kokkos::Experimental::ROCm>::value)
 #endif
diff --git a/lib/kokkos/core/unit_test/TestTeamVectorRange.hpp b/lib/kokkos/core/unit_test/TestTeamVectorRange.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..86c8dab3ff8120a1a4930a62bcf71e1000632264
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestTeamVectorRange.hpp
@@ -0,0 +1,464 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <Kokkos_Core.hpp>
+
+#include <impl/Kokkos_Timer.hpp>
+#include <iostream>
+#include <cstdlib>
+#include <cstdint>
+#include <cinttypes>
+
+namespace TestTeamVectorRange {
+
+struct my_complex {
+  double re, im;
+  int dummy;
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex() {
+    re = 0.0;
+    im = 0.0;
+    dummy = 0;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex( const my_complex & src ) {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator=( const my_complex & src ) {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator=( const volatile my_complex & src ) {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  volatile my_complex & operator=( const my_complex & src ) volatile {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  volatile my_complex & operator=( const volatile my_complex & src ) volatile {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+    return *this ;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex( const volatile my_complex & src ) {
+    re = src.re;
+    im = src.im;
+    dummy = src.dummy;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex( const double & val ) {
+    re = val;
+    im = 0.0;
+    dummy = 0;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator+=( const my_complex & src ) {
+    re += src.re;
+    im += src.im;
+    dummy += src.dummy;
+    return *this;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator+=( const volatile my_complex & src ) volatile {
+    re += src.re;
+    im += src.im;
+    dummy += src.dummy;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex operator +( const my_complex & src ) {
+    my_complex tmp = *this;
+    tmp.re += src.re;
+    tmp.im += src.im;
+    tmp.dummy += src.dummy;
+    return tmp;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex operator+( const volatile my_complex & src ) volatile {
+    my_complex tmp = *this;
+    tmp.re += src.re;
+    tmp.im += src.im;
+    tmp.dummy += src.dummy;
+    return tmp;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator*=( const my_complex & src ) {
+    double re_tmp = re * src.re - im * src.im;
+    double im_tmp = re * src.im + im * src.re;
+    re = re_tmp;
+    im = im_tmp;
+    dummy *= src.dummy;
+    return *this;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator*=( const volatile my_complex & src ) volatile {
+    double re_tmp = re * src.re - im * src.im;
+    double im_tmp = re * src.im + im * src.re;
+    re = re_tmp;
+    im = im_tmp;
+    dummy *= src.dummy;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool operator==( const my_complex & src ) {
+    return ( re == src.re ) && ( im == src.im ) && ( dummy == src.dummy );
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool operator!=( const my_complex & src ) {
+    return ( re != src.re ) || ( im != src.im ) || ( dummy != src.dummy );
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  bool operator!=( const double & val ) {
+    return ( re != val ) || ( im != 0 ) || ( dummy != 0 );
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator=( const int & val ) {
+    re = val;
+    im = 0.0;
+    dummy = 0;
+    return *this;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  my_complex & operator=( const double & val ) {
+    re = val;
+    im = 0.0;
+    dummy = 0;
+    return *this;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  operator double() {
+    return re;
+  }
+};
+}
+
+namespace Kokkos {
+template<>
+struct reduction_identity<TestTeamVectorRange::my_complex > {
+  typedef reduction_identity<double> t_red_ident;
+  KOKKOS_FORCEINLINE_FUNCTION static TestTeamVectorRange::my_complex sum()
+      {return TestTeamVectorRange::my_complex(t_red_ident::sum());}
+  KOKKOS_FORCEINLINE_FUNCTION static TestTeamVectorRange::my_complex prod()
+      {return TestTeamVectorRange::my_complex(t_red_ident::prod());}
+};
+}
+
+namespace TestTeamVectorRange {
+
+template< typename Scalar, class ExecutionSpace >
+struct functor_teamvector_for {
+  typedef Kokkos::TeamPolicy< ExecutionSpace > policy_type;
+  typedef ExecutionSpace execution_space;
+
+  Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag;
+
+  functor_teamvector_for( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
+
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(131); }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()( typename policy_type::member_type team ) const {
+    typedef typename shmem_space::size_type size_type;
+    const size_type shmemSize = 131;
+    shared_int values = shared_int( team.team_shmem(), shmemSize );
+
+    if ( values.data() == nullptr || values.extent(0) < shmemSize ) {
+      printf( "FAILED to allocate shared memory of size %u\n",
+              static_cast<unsigned int>( shmemSize ) );
+    }
+    else {
+      // Initialize shared memory.
+      Kokkos::parallel_for( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i ) {
+        values( i ) = 0;
+      });
+      // Wait for all memory to be written.
+      team.team_barrier();
+
+      // Accumulate value into per thread shared memory.
+      // This is non blocking.
+      Kokkos::parallel_for( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i )
+      {
+        values( i ) += i - team.league_rank() + team.league_size() + team.team_size();
+      });
+
+      // Wait for all memory to be written.
+      team.team_barrier();
+
+      // One thread per team executes the comparison.
+      Kokkos::single( Kokkos::PerTeam( team ), [&] ()
+      {
+        Scalar test = 0;
+        Scalar value = 0;
+
+        for ( int i = 0; i < 131; ++i ) {
+          test += i - team.league_rank() + team.league_size() + team.team_size();
+        }
+
+        for ( int i = 0; i < 131; ++i ) {
+          value += values( i );
+        }
+
+        if ( test != value ) {
+          printf ( "FAILED teamvector_parallel_for %i %i %f %f\n",
+                   team.league_rank(), team.team_rank(),
+                   static_cast<double>( test ), static_cast<double>( value ) );
+          flag() = 1;
+        }
+      });
+    }
+  }
+};
+
+template< typename Scalar, class ExecutionSpace >
+struct functor_teamvector_reduce {
+  typedef Kokkos::TeamPolicy< ExecutionSpace > policy_type;
+  typedef ExecutionSpace execution_space;
+
+  Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag;
+
+  functor_teamvector_reduce( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
+
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_scalar_t;
+  unsigned team_shmem_size( int team_size ) const { return shared_scalar_t::shmem_size(team_size*13); }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()( typename policy_type::member_type team ) const {
+    Scalar value = Scalar();
+    shared_scalar_t shared_value(team.team_scratch(0),1);
+
+    Kokkos::parallel_reduce( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    }, shared_value(0) );
+
+    team.team_barrier();
+    Kokkos::parallel_reduce( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    }, value );
+    
+//    Kokkos::parallel_reduce( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i, Scalar & val )
+//    {
+//      val += i - team.league_rank() + team.league_size() + team.team_size();
+//    }, shared_value(0) );
+
+    team.team_barrier();
+
+    Kokkos::single( Kokkos::PerTeam( team ), [&] ()
+    {
+      Scalar test = 0;
+
+      for ( int i = 0; i < 131; ++i ) {
+        test += i - team.league_rank() + team.league_size() + team.team_size();
+      }
+
+      if ( test != value ) {
+        if ( team.league_rank() == 0 ) {
+          printf( "FAILED teamvector_parallel_reduce %i %i %lf %lf %lu\n",
+                  team.league_rank(), team.team_rank(),
+                  static_cast<double>( test ), static_cast<double>( value ), sizeof( Scalar ) );
+        }
+
+        flag() = 1;
+      }
+      if ( test != shared_value(0) ) {
+        if ( team.league_rank() == 0 ) {
+          printf( "FAILED teamvector_parallel_reduce with shared result %i %i %lf %lf %lu\n",
+                  team.league_rank(), team.team_rank(),
+                  static_cast<double>( test ), static_cast<double>( shared_value(0) ), sizeof( Scalar ) );
+        }
+
+        flag() = 1;
+      }
+    });
+  }
+};
+
+template< typename Scalar, class ExecutionSpace >
+struct functor_teamvector_reduce_reducer {
+  typedef Kokkos::TeamPolicy< ExecutionSpace > policy_type;
+  typedef ExecutionSpace execution_space;
+
+  Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag;
+
+  functor_teamvector_reduce_reducer( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
+
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_scalar_t;
+  unsigned team_shmem_size( int team_size ) const { return shared_scalar_t::shmem_size(team_size*13); }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()( typename policy_type::member_type team ) const {
+    Scalar value = 0;
+    shared_scalar_t shared_value(team.team_scratch(0),1);
+
+    Kokkos::parallel_reduce( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    },
+      Kokkos::Sum<Scalar>(value)
+    );
+    
+    Kokkos::parallel_reduce( Kokkos::TeamVectorRange( team, 131 ), [&] ( int i, Scalar & val )
+    {
+      val += i - team.league_rank() + team.league_size() + team.team_size();
+    },
+      Kokkos::Sum<Scalar>(shared_value(0))
+    );
+
+    team.team_barrier();
+
+    Kokkos::single( Kokkos::PerTeam( team ), [&] ()
+    {
+      Scalar test = 0;
+
+      for ( int i = 0; i < 131; ++i ) {
+        test += i - team.league_rank() + team.league_size() + team.team_size();
+      }
+
+      if ( test != value ) {
+        printf( "FAILED teamvector_parallel_reduce_reducer %i %i %lf %lf\n",
+                team.league_rank(), team.team_rank(),
+                static_cast<double>( test ), static_cast<double>( value ) );
+
+        flag() = 1;
+      }
+      if ( test != shared_value(0) ) {
+        printf( "FAILED teamvector_parallel_reduce_reducer shared value %i %i %lf %lf\n",
+                team.league_rank(), team.team_rank(),
+                static_cast<double>( test ), static_cast<double>( shared_value(0) ) );
+
+        flag() = 1;
+      }
+    });
+  }
+};
+
+template< typename Scalar, class ExecutionSpace >
+bool test_scalar( int nteams, int team_size, int test ) {
+  Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > d_flag( "flag" );
+  typename Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace >::HostMirror h_flag( "h_flag" );
+  h_flag() = 0;
+  Kokkos::deep_copy( d_flag, h_flag );
+
+  if ( test == 0 ) {
+    Kokkos::parallel_for( "Test::TeamVectorFor", Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
+                          functor_teamvector_for< Scalar, ExecutionSpace >( d_flag ) );
+  }
+  else if ( test == 1 ) {
+    Kokkos::parallel_for( "Test::TeamVectorReduce", Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
+                          functor_teamvector_reduce< Scalar, ExecutionSpace >( d_flag ) );
+  }
+  else if ( test == 2 ) {
+    Kokkos::parallel_for( "Test::TeamVectorReduceReducer", Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
+                          functor_teamvector_reduce_reducer< Scalar, ExecutionSpace >( d_flag ) );
+  }
+
+  Kokkos::deep_copy( h_flag, d_flag );
+
+  return ( h_flag() == 0 );
+}
+
+template< class ExecutionSpace >
+bool Test( int test ) {
+  bool passed = true;
+
+  int team_size = 33;
+  if( team_size > int(ExecutionSpace::concurrency()))
+    team_size = int(ExecutionSpace::concurrency());
+  passed = passed && test_scalar< int, ExecutionSpace >( 317, team_size, test );
+  passed = passed && test_scalar< long long int, ExecutionSpace >( 317, team_size, test );
+  passed = passed && test_scalar< float, ExecutionSpace >( 317, team_size, test );
+  passed = passed && test_scalar< double, ExecutionSpace >( 317, team_size, test );
+  passed = passed && test_scalar< my_complex, ExecutionSpace >( 317, team_size, test );
+
+  return passed;
+}
+
+} // namespace TestTeamVectorRange
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, team_teamvector_range )
+{
+  ASSERT_TRUE( ( TestTeamVectorRange::Test< TEST_EXECSPACE >( 0 ) ) );
+  ASSERT_TRUE( ( TestTeamVectorRange::Test< TEST_EXECSPACE >( 1 ) ) );
+  ASSERT_TRUE( ( TestTeamVectorRange::Test< TEST_EXECSPACE >( 2 ) ) );
+}
+}
diff --git a/lib/kokkos/core/unit_test/TestTile.hpp b/lib/kokkos/core/unit_test/TestTile.hpp
index 704c7f994090144f034a1c435d0bd85af80f8ec6..a58755dc9bb1c7c05f9d6d8c83af395a8cd5d7ae 100644
--- a/lib/kokkos/core/unit_test/TestTile.hpp
+++ b/lib/kokkos/core/unit_test/TestTile.hpp
@@ -42,6 +42,9 @@
 #ifndef TEST_TILE_HPP
 #define TEST_TILE_HPP
 
+//========================================================================
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+
 #include <Kokkos_Core.hpp>
 #include <impl/Kokkos_ViewTile.hpp>
 
@@ -166,4 +169,8 @@ TEST_F( TEST_CATEGORY, tile_layout )
 }
 
 }
+
+#endif // KOKKOS_ENABLE_DEPRECATED_CODE
+//=====================================================================
+
 #endif //TEST_TILE_HPP
diff --git a/lib/kokkos/core/unit_test/TestViewAPI.hpp b/lib/kokkos/core/unit_test/TestViewAPI.hpp
index 2ebd48cd61451ad9bfddaee32c822f89e37dc1f9..e332bebff082e7169104c6e48e9fa068a9cd617f 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI.hpp
@@ -827,6 +827,48 @@ struct TestViewMirror
     ASSERT_EQ( a_org(5), a_h3(5) );
   }
 
+  template< class MemoryTraits, class Space >
+  struct CopyUnInit {
+    typedef typename Kokkos::Impl::MirrorViewType<Space, double*, Layout, Kokkos::HostSpace, MemoryTraits>::view_type mirror_view_type;
+
+    mirror_view_type a_d;
+
+    KOKKOS_INLINE_FUNCTION
+    CopyUnInit( mirror_view_type & a_d_ ) : a_d(a_d_) {
+    }
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const typename Space::size_type i) const {
+       a_d(i) = (double)(10-i);
+    }
+    
+  };
+
+  template< class MemoryTraits >
+  void static test_mirror_no_initialize() {
+    Kokkos::View< double*, Layout, Kokkos::HostSpace > a_org( "A", 10 );
+    Kokkos::View< double*, Layout, Kokkos::HostSpace, MemoryTraits > a_h = a_org;
+
+    for (int i = 0; i < 10; i++)
+    {
+       a_h(i) = (double)i;   
+    }
+    auto a_d = Kokkos::create_mirror_view( DeviceType(), a_h, Kokkos::WithoutInitializing );
+    
+    int equal_ptr_h_d = (a_h.data() == a_d.data()) ? 1 : 0;
+    constexpr int is_same_memspace = std::is_same< Kokkos::HostSpace, typename DeviceType::memory_space >::value ? 1 : 0;
+    
+    ASSERT_EQ( equal_ptr_h_d, is_same_memspace);
+
+    Kokkos::parallel_for( Kokkos::RangePolicy< typename DeviceType::execution_space >( 0, int(10)), CopyUnInit< MemoryTraits, DeviceType >(a_d));
+
+    Kokkos::deep_copy( a_h, a_d );
+
+    for (int i = 0; i < 10; i++)
+    {
+       ASSERT_EQ(a_h(i), (double)(10-i));
+    }
+  }
 
   void static testit() {
     test_mirror< Kokkos::MemoryTraits<0> >();
@@ -835,6 +877,8 @@ struct TestViewMirror
     test_mirror_view< Kokkos::MemoryTraits<Kokkos::Unmanaged> >();
     test_mirror_copy< Kokkos::MemoryTraits<0> >();
     test_mirror_copy< Kokkos::MemoryTraits<Kokkos::Unmanaged> >();
+    test_mirror_no_initialize< Kokkos::MemoryTraits<0> >();
+    test_mirror_no_initialize< Kokkos::MemoryTraits<Kokkos::Unmanaged> >();
   }
 };
 
@@ -865,7 +909,7 @@ public:
   }
 
   static void run_test_view_operator_a() {
-    {TestViewOperator< T, device > f; Kokkos::parallel_for(int(N0),f);}
+    {TestViewOperator< T, device > f; Kokkos::parallel_for(int(N0),f); Kokkos::fence();}
 #ifndef KOKKOS_ENABLE_OPENMPTARGET
     TestViewOperator_LeftAndRight< int[2][3][4][2][3][4], device >f6; f6.testit();
     TestViewOperator_LeftAndRight< int[2][3][4][2][3], device >f5; f5.testit();
diff --git a/lib/kokkos/core/unit_test/TestViewAPI_e.hpp b/lib/kokkos/core/unit_test/TestViewAPI_e.hpp
index efb34a64cc06967d228839e3f709e84a0b5d95e3..76815dc11243a8d4793b11ebc3b5325c41c8f0e7 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI_e.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI_e.hpp
@@ -194,6 +194,7 @@ inline void test_anonymous_space() {
       d_anon_dyn_view(j) += 42;
     }
   });
+  Kokkos::fence();
 #endif
 }
 
@@ -201,4 +202,45 @@ TEST_F( TEST_CATEGORY, anonymous_space )
 {
   test_anonymous_space();
 }
+
+template<class ExecSpace>
+struct TestViewOverloadResolution {
+  // Overload based on value_type and rank
+  static int foo(Kokkos::View<const double**,ExecSpace> a) {
+    return 1;
+  }
+  static int foo(Kokkos::View<const int**,ExecSpace> a) {
+    return 2;
+  }
+  static int foo(Kokkos::View<const double***,ExecSpace> a) {
+    return 3;
+  }
+
+  // Overload based on compile time dimensions
+  static int bar(Kokkos::View<double*[3],ExecSpace> a) {
+    return 4;
+  }
+  static int bar(Kokkos::View<double*[4],ExecSpace> a) {
+    return 5;
+  }
+
+  static void test_function_overload() {
+    Kokkos::View<double**, typename ExecSpace::execution_space::array_layout, ExecSpace> a("A",10,3);
+    int data_type_1 = foo(a);
+    int data_type_3 = foo(Kokkos::View<const double**, typename ExecSpace::execution_space::array_layout, ExecSpace>(a));
+    Kokkos::View<double***, typename ExecSpace::execution_space::array_layout, ExecSpace> b("B",10,3,4);
+    int data_type_2 = foo(b);
+    Kokkos::View<double*[3], typename ExecSpace::execution_space::array_layout, ExecSpace> c(a);
+    int static_extent = bar(c);
+    ASSERT_EQ(1,data_type_1);
+    ASSERT_EQ(3,data_type_2);
+    ASSERT_EQ(1,data_type_3);
+    ASSERT_EQ(4,static_extent);
+  }
+};
+
+TEST_F( TEST_CATEGORY, view_overload_resolution )
+{
+  TestViewOverloadResolution<TEST_EXECSPACE>::test_function_overload();
+}
 }
diff --git a/lib/kokkos/core/unit_test/TestViewMapping_a.hpp b/lib/kokkos/core/unit_test/TestViewMapping_a.hpp
index 03d5e501b9dad43e4882539fc1b8b2d6ab6a4fd4..69247902cd092db8c354998194c7bcc82799c04f 100644
--- a/lib/kokkos/core/unit_test/TestViewMapping_a.hpp
+++ b/lib/kokkos/core/unit_test/TestViewMapping_a.hpp
@@ -1012,12 +1012,14 @@ void test_view_mapping()
     ASSERT_EQ( a.use_count(), 1 );
     ASSERT_EQ( b.use_count(), 0 );
 
-#if !defined( KOKKOS_ENABLE_CUDA_LAMBDA ) && !defined( KOKKOS_ENABLE_ROCM )
+// TODO: a.use_count() and x.use_count() are 0 with the asynchronous HPX backend. Why?
+#if !defined( KOKKOS_ENABLE_CUDA_LAMBDA ) && !defined( KOKKOS_ENABLE_ROCM ) && \
+    !(defined( KOKKOS_ENABLE_HPX ) && defined( KOKKOS_ENABLE_HPX_ASYNC_DISPATCH ))
     // Cannot launch host lambda when CUDA lambda is enabled.
 
     typedef typename Kokkos::Impl::HostMirror< Space >::Space::execution_space host_exec_space;
 
-    Kokkos::parallel_for( Kokkos::RangePolicy< host_exec_space >( 0, 10 ), KOKKOS_LAMBDA ( int i ) {
+    Kokkos::parallel_for( Kokkos::RangePolicy< host_exec_space >( 0, 10 ), KOKKOS_LAMBDA ( int ) {
       // 'a' is captured by copy, and the capture mechanism converts 'a' to an
       // unmanaged copy.  When the parallel dispatch accepts a move for the
       // lambda, this count should become 1.
diff --git a/lib/kokkos/core/unit_test/TestViewMapping_b.hpp b/lib/kokkos/core/unit_test/TestViewMapping_b.hpp
index 7c7807f60d5dccf30b0eb90e79015a2a42eccaab..36fc0461a4fb837ae1f988799e463ac4efbb1749 100644
--- a/lib/kokkos/core/unit_test/TestViewMapping_b.hpp
+++ b/lib/kokkos/core/unit_test/TestViewMapping_b.hpp
@@ -173,12 +173,12 @@ void test_view_mapping_class_value()
 {
   typedef typename Space::execution_space ExecSpace;
 
-  ExecSpace::fence();
+  ExecSpace().fence();
   {
     Kokkos::View< MappingClassValueType, ExecSpace > a( "a" );
-    ExecSpace::fence();
+    ExecSpace().fence();
   }
-  ExecSpace::fence();
+  ExecSpace().fence();
 }
 
 TEST_F( TEST_CATEGORY , view_mapping_class_value )
diff --git a/lib/kokkos/core/unit_test/TestViewMapping_subview.hpp b/lib/kokkos/core/unit_test/TestViewMapping_subview.hpp
index 0c2d22e013717a11975a87be6c2dbecb1b16c7f6..62bd582871a71bd26277c183873843767724e16f 100644
--- a/lib/kokkos/core/unit_test/TestViewMapping_subview.hpp
+++ b/lib/kokkos/core/unit_test/TestViewMapping_subview.hpp
@@ -201,6 +201,7 @@ struct TestViewMappingSubview
 
     long error_count = -1;
     Kokkos::parallel_reduce( Kokkos::RangePolicy< ExecSpace >( 0, 1 ), *this, error_count );
+
     ASSERT_EQ( error_count, 0 );
   }
 };
diff --git a/lib/kokkos/core/unit_test/TestViewSubview.hpp b/lib/kokkos/core/unit_test/TestViewSubview.hpp
index 207fbb148d14ba720d3f77d4d9d6718b424a355b..bffc77181f14ff0f272950628f1154ae8edb88f0 100644
--- a/lib/kokkos/core/unit_test/TestViewSubview.hpp
+++ b/lib/kokkos/core/unit_test/TestViewSubview.hpp
@@ -48,6 +48,86 @@
 #include <stdexcept>
 #include <sstream>
 #include <iostream>
+#include <type_traits>
+
+// TODO @refactoring move this to somewhere common
+
+//------------------------------------------------------------------------------
+
+template <class...>
+struct _kokkos____________________static_test_failure_____;
+
+template <class...>
+struct static_predicate_message {};
+
+//------------------------------------------------------------------------------
+
+template <class, template <class...> class, class...>
+struct static_assert_predicate_true_impl;
+
+template <template <class...> class predicate, class... message, class... args>
+struct static_assert_predicate_true_impl<
+  typename std::enable_if<predicate<args...>::type::value>::type,
+  predicate,
+  static_predicate_message<message...>,
+  args...
+> {
+  using type = int;
+};
+
+template <template <class...> class predicate, class... message, class... args>
+struct static_assert_predicate_true_impl<
+  typename std::enable_if<!predicate<args...>::type::value>::type,
+  predicate,
+  static_predicate_message<message...>,
+  args...
+>
+{
+  using type = typename _kokkos____________________static_test_failure_____<message...>::type;
+};
+
+template <template <class...> class predicate, class... args>
+struct static_assert_predicate_true
+  : static_assert_predicate_true_impl<void,
+      predicate, static_predicate_message<>,
+      args...
+    >
+{ };
+
+template <template <class...> class predicate, class... message, class... args>
+struct static_assert_predicate_true<
+  predicate, static_predicate_message<message...>,
+  args...
+>
+  : static_assert_predicate_true_impl<void,
+      predicate, static_predicate_message<message...>,
+      args...
+    >
+{ };
+
+//------------------------------------------------------------------------------
+
+// error "messages"
+struct _kokkos__________types_should_be_the_same_____expected_type__ {};
+struct _kokkos__________actual_type_was__ {};
+template <class Expected, class Actual>
+struct static_expect_same
+{
+  using type =
+    typename static_assert_predicate_true<
+      std::is_same,
+      static_predicate_message<
+        _kokkos__________types_should_be_the_same_____expected_type__,
+        Expected,
+        _kokkos__________actual_type_was__,
+        Actual
+      >,
+      Expected, Actual
+    >::type;
+};
+
+//------------------------------------------------------------------------------
+
 
 namespace TestViewSubview {
 
@@ -1220,6 +1300,7 @@ void test_layoutleft_to_layoutleft() {
     check.offset_0 = 16;
     check.offset_2 = 0;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename Space::execution_space >( 0, b.extent( 0 ) * b.extent( 1 ) * b.extent( 2 ) ), check );
+    Kokkos::fence();
   }
 
   {
@@ -1236,6 +1317,7 @@ void test_layoutleft_to_layoutleft() {
     check.offset_0 = 16;
     check.offset_2 = 1;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename Space::execution_space >( 0, b.extent( 0 ) * b.extent( 1 ) * b.extent( 2 ) ), check );
+    Kokkos::fence();
   }
 
   {
@@ -1253,6 +1335,7 @@ void test_layoutleft_to_layoutleft() {
     check.offset_2 = 1;
     check.index = 1;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename Space::execution_space >( 0, b.extent( 0 ) * b.extent( 1 ) * b.extent( 2 ) ), check );
+    Kokkos::fence();
   }
 }
 
@@ -1274,6 +1357,7 @@ void test_layoutright_to_layoutright() {
     check.offset_0 = 16;
     check.offset_2 = 0;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename Space::execution_space >( 0, b.extent( 0 ) * b.extent( 1 ) * b.extent( 2 ) ), check );
+    Kokkos::fence();
   }
 
   {
@@ -1291,6 +1375,7 @@ void test_layoutright_to_layoutright() {
     check.offset_2 = 0;
     check.index = 1;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename Space::execution_space >( 0, b.extent( 0 ) * b.extent( 1 ) * b.extent( 2 ) ), check );
+    Kokkos::fence();
   }
 }
 
@@ -1328,6 +1413,125 @@ void test_unmanaged_subview_reset()
     );
 }
 
+//----------------------------------------------------------------------------
+
+template <class T>
+struct get_view_type;
+
+template <class T, class... Args>
+struct get_view_type<
+  Kokkos::View<T, Args...>
+> {
+  using type = T;
+};
+
+template <class T>
+struct ___________________________________TYPE_DISPLAY________________________________________;
+#define TYPE_DISPLAY(...) typename ___________________________________TYPE_DISPLAY________________________________________<__VA_ARGS__>::type notdefined;
+
+template <class Space, class Layout>
+struct TestSubviewStaticSizes
+{
+  Kokkos::View<int*[10][5][2], Layout, Space> a;
+
+  KOKKOS_INLINE_FUNCTION
+  int operator()() const noexcept
+  {
+    /* Doesn't actually do anything; just static assertions */
+
+    auto sub_a = Kokkos::subview(a, 0, Kokkos::ALL, Kokkos::ALL, Kokkos::ALL);
+    typename static_expect_same<
+      /* expected */ int[10][5][2],
+      /*  actual  */ typename get_view_type<decltype(sub_a)>::type
+    >::type test_1 = 0;
+
+    auto sub_a_2 = Kokkos::subview(a, 0, 0, Kokkos::ALL, Kokkos::ALL);
+    typename static_expect_same<
+      /* expected */ int[5][2],
+      /*  actual  */ typename get_view_type<decltype(sub_a_2)>::type
+    >::type test_2 = 0;
+
+    auto sub_a_3 = Kokkos::subview(a, 0, 0, Kokkos::ALL, 0);
+    typename static_expect_same<
+      /* expected */ int[5],
+      /*  actual  */ typename get_view_type<decltype(sub_a_3)>::type
+    >::type test_3 = 0;
+
+    auto sub_a_4 = Kokkos::subview(a, Kokkos::ALL, 0, Kokkos::ALL, Kokkos::ALL);
+    typename static_expect_same<
+      /* expected */ int*[5][2],
+      /*  actual  */ typename get_view_type<decltype(sub_a_4)>::type
+    >::type test_4 = 0;
+
+    // TODO we'll need to update this test once we allow interleaving of static and dynamic
+    auto sub_a_5 = Kokkos::subview(a, Kokkos::ALL, 0, Kokkos::ALL, Kokkos::make_pair(0, 1));
+    typename static_expect_same<
+      /* expected */ int***,
+      /*  actual  */ typename get_view_type<decltype(sub_a_5)>::type
+    >::type test_5 = 0;
+
+    auto sub_a_sub = Kokkos::subview(sub_a_5, 0, Kokkos::ALL, 0);
+    typename static_expect_same<
+      /* expected */ int*,
+      /*  actual  */ typename get_view_type<decltype(sub_a_sub)>::type
+    >::type test_sub = 0;
+
+    auto sub_a_7 = Kokkos::subview(a, Kokkos::ALL, 0, Kokkos::make_pair(0, 1), Kokkos::ALL);
+    typename static_expect_same<
+      /* expected */ int**[2],
+      /*  actual  */ typename get_view_type<decltype(sub_a_7)>::type
+    >::type test_7 = 0;
+
+
+    return test_1 + test_2 + test_3 + test_4 + test_5 + test_sub + test_7;
+  }
+
+  TestSubviewStaticSizes()
+    : a( Kokkos::view_alloc() , 20 )
+  {}
+};
+
+
+template <class Space>
+struct TestExtentsStaticTests {
+
+  using test1 = typename
+    static_expect_same<
+      /* expected */
+      Kokkos::Experimental::Extents<
+        Kokkos::Experimental::dynamic_extent,
+        Kokkos::Experimental::dynamic_extent,
+        1, 2, 3
+      >,
+      /* actual */
+      typename Kokkos::Impl::ParseViewExtents<double**[1][2][3]>::type
+    >::type;
+
+  using test2 = typename
+    static_expect_same<
+      /* expected */
+      Kokkos::Experimental::Extents<1, 2, 3>,
+      /* actual */
+      typename Kokkos::Impl::ParseViewExtents<double[1][2][3]>::type
+    >::type;
+
+  using test3 = typename
+    static_expect_same<
+      /* expected */
+      Kokkos::Experimental::Extents<3>,
+      /* actual */
+      typename Kokkos::Impl::ParseViewExtents<double[3]>::type
+    >::type;
+
+  using test4 = typename
+    static_expect_same<
+      /* expected */
+      Kokkos::Experimental::Extents<>,
+      /* actual */
+      typename Kokkos::Impl::ParseViewExtents<double>::type
+    >::type;
+};
+
 } // namespace TestViewSubview
 
 #endif
diff --git a/lib/kokkos/core/unit_test/TestWorkGraph.hpp b/lib/kokkos/core/unit_test/TestWorkGraph.hpp
index b7bbb2759fa9c77bf80d9548e2fe4cb7b0e98386..248733420b104a7d67a73c46ecc113e8d461fbda 100644
--- a/lib/kokkos/core/unit_test/TestWorkGraph.hpp
+++ b/lib/kokkos/core/unit_test/TestWorkGraph.hpp
@@ -148,6 +148,7 @@ struct TestWorkGraph {
 
   void test_for() {
     Kokkos::parallel_for(Policy(m_graph), *this);
+    Kokkos::fence();
     auto h_values = Kokkos::create_mirror_view(m_values);
     Kokkos::deep_copy(h_values, m_values);
     ASSERT_EQ( h_values(0), full_fibonacci(m_input) );
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6fb9ad0628428e059f761706db372efb786e4578
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<cuda/TestCuda_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3170bbc5307a15b27a6cb0fba4ca0c0692e244f4
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<cuda/TestCuda_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f28a6fcbe9e618eed1be4169fcc217d5b25bcca3
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_DeepCopyAlignment.cpp
@@ -0,0 +1,48 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCuda_Category.hpp>
+#if defined(KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA) 
+#include <TestDeepCopy.hpp>
+#endif
+
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_InterOp.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_InterOp_Init.cpp
similarity index 100%
rename from lib/kokkos/core/unit_test/cuda/TestCuda_InterOp.cpp
rename to lib/kokkos/core/unit_test/cuda/TestCuda_InterOp_Init.cpp
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_InterOp_Streams.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_InterOp_Streams.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4969e27040ccfafde5a7c0ececbb8d51b25a705e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_InterOp_Streams.cpp
@@ -0,0 +1,180 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <Kokkos_Core.hpp>
+#include <cuda/TestCuda_Category.hpp>
+
+namespace Test {
+
+__global__ void offset_streams(int* p) {
+  int idx = blockIdx.x*blockDim.x + threadIdx.x;
+  if(idx<100) {
+    p[idx]+=idx;
+  }
+}
+
+namespace {
+  struct FunctorRange {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorRange(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const int i) const {
+      a(i)+=1;
+    }
+  };
+  struct FunctorRangeReduce {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorRangeReduce(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const int i, int& lsum) const {
+      lsum += a(i);
+    }
+  };
+  struct FunctorMDRange {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorMDRange(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const int i, const int j) const {
+      a(i*10+j)+=1;
+    }
+  };
+  struct FunctorMDRangeReduce {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorMDRangeReduce(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const int i, const int j, int& lsum) const {
+      lsum += a(i*10+j);
+    }
+  };
+  struct FunctorTeam {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorTeam(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const Kokkos::TeamPolicy<Kokkos::Cuda>::member_type& team) const {
+      int i = team.league_rank();
+      Kokkos::parallel_for(Kokkos::TeamThreadRange(team,10),[&](const int j){
+        a(i*10+j)+=1;
+      });
+    }
+  };
+
+  struct FunctorTeamReduce {
+    Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a;
+    FunctorTeamReduce(Kokkos::View<int*,Kokkos::CudaSpace,Kokkos::MemoryTraits<Kokkos::Unmanaged>> a_):a(a_) {}
+
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const Kokkos::TeamPolicy<Kokkos::Cuda>::member_type& team, int& lsum) const {
+      int i = team.league_rank();
+      int team_sum;
+      Kokkos::parallel_reduce(Kokkos::TeamThreadRange(team,10),[&](const int j, int& tsum){
+        tsum += a(i*10+j);
+      },team_sum);
+      Kokkos::single(Kokkos::PerTeam(team),[&]() {
+        lsum += team_sum;
+      });
+    }
+  };
+}
+
+// Test Interoperability with Cuda Streams
+TEST_F( cuda, raw_cuda_streams )
+{
+  cudaStream_t stream;
+  cudaStreamCreate(&stream);
+  Kokkos::InitArguments arguments{-1,-1,-1, false};
+  Kokkos::initialize(arguments);
+  int* p;
+  cudaMalloc(&p,sizeof(int)*100);
+
+  {
+  Kokkos::Cuda cuda0(stream);
+  Kokkos::View<int*,Kokkos::CudaSpace>
+    v(p,100);
+  Kokkos::deep_copy(cuda0,v,5);
+  int sum;
+
+  Kokkos::parallel_for("Test::cuda::raw_cuda_stream::Range",
+      Kokkos::RangePolicy<Kokkos::Cuda>(cuda0,0,100),FunctorRange(v));
+  Kokkos::parallel_reduce("Test::cuda::raw_cuda_stream::RangeReduce",
+      Kokkos::RangePolicy<Kokkos::Cuda,Kokkos::LaunchBounds<128,2>>(cuda0,0,100),FunctorRangeReduce(v),sum);
+  cuda0.fence();
+  ASSERT_EQ(600,sum);
+
+  Kokkos::parallel_for("Test::cuda::raw_cuda_stream::MDRange",
+      Kokkos::MDRangePolicy<Kokkos::Cuda,Kokkos::Rank<2>>(cuda0,{0,0},{10,10}),FunctorMDRange(v));
+  Kokkos::parallel_reduce("Test::cuda::raw_cuda_stream::MDRangeReduce",
+      Kokkos::MDRangePolicy<Kokkos::Cuda,Kokkos::Rank<2>,Kokkos::LaunchBounds<128,2>>(cuda0,{0,0},{10,10}),FunctorMDRangeReduce(v),sum);
+  cuda0.fence();
+  ASSERT_EQ(700,sum);
+
+  Kokkos::parallel_for("Test::cuda::raw_cuda_stream::Team",
+      Kokkos::TeamPolicy<Kokkos::Cuda>(cuda0,10,10),FunctorTeam(v));
+  Kokkos::parallel_reduce("Test::cuda::raw_cuda_stream::Team",
+      Kokkos::TeamPolicy<Kokkos::Cuda,Kokkos::LaunchBounds<128,2>>(cuda0,10,10),FunctorTeamReduce(v),sum);
+  cuda0.fence();
+  ASSERT_EQ(800,sum);
+
+  }
+  Kokkos::finalize();
+  offset_streams<<<100,64,0,stream>>>(p);
+  CUDA_SAFE_CALL( cudaDeviceSynchronize());
+  cudaStreamDestroy(stream);
+
+  int* h_p = new int[100];
+  cudaMemcpy( h_p , p , sizeof(int)*100 , cudaMemcpyDefault );
+  CUDA_SAFE_CALL( cudaDeviceSynchronize());
+  int64_t sum = 0;
+  int64_t sum_expect = 0;
+  for(int i=0; i<100; i++) {
+    sum += h_p[i];
+    sum_expect += 8+i;
+  }
+
+  ASSERT_EQ(sum,sum_expect);
+}
+}
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_LocalDeepCopy.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_LocalDeepCopy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1a9940ed70cfd5b9ce1841567884f69dc971d5ef
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_LocalDeepCopy.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCuda_Category.hpp>
+#include <TestLocalDeepCopy.hpp>
+
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_Spaces.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_Spaces.cpp
index e871b3c0c063f472d0cb87b0f2eb313e72600e27..afe18bdad4b0155eed54d5dc0723d2ef0a6640cb 100644
--- a/lib/kokkos/core/unit_test/cuda/TestCuda_Spaces.cpp
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_Spaces.cpp
@@ -218,9 +218,9 @@ TEST_F( cuda, uvm )
 
     *uvm_ptr = 42;
 
-    Kokkos::Cuda::fence();
+    Kokkos::Cuda().fence();
     test_cuda_spaces_int_value<<< 1, 1 >>>( uvm_ptr );
-    Kokkos::Cuda::fence();
+    Kokkos::Cuda().fence();
 
     EXPECT_EQ( *uvm_ptr, int( 2 * 42 ) );
 
@@ -320,7 +320,7 @@ struct TestViewCudaAccessible {
   {
     TestViewCudaAccessible self;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename MemSpace::execution_space, TagInit >( 0, N ), self );
-    MemSpace::execution_space::fence();
+    typename MemSpace::execution_space().fence();
 
     // Next access is a different execution space, must complete prior kernel.
     long error_count = -1;
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_SubView_a.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_SubView_a.cpp
index 805da988c6261f693da4fbb3277d41f98e9e3deb..81f83c105cec81d43943bfb2f19f07d6d8f0a2be 100644
--- a/lib/kokkos/core/unit_test/cuda/TestCuda_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_TeamVectorRange.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamVectorRange.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..af6ef9cfd126b14f1118dcf9b381657e5752abf9
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamVectorRange.cpp
@@ -0,0 +1,48 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<cuda/TestCuda_Category.hpp>
+#include<TestTeamVectorRange.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_double.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_double.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6f4d5de5c1d8fb672171b07c8238955871194eff
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_double.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_double.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_float.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_float.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5b859989cb0128015e78436203b90297aa512f9b
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_float.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_float.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_int.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_int.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1e7b098322a32f4006ac36b00d474597774d21e1
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_int.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_int.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longint.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longint.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a6d76339f1f7a01138f667d569e669a8f4a1cc68
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longint.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_longint.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longlongint.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longlongint.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e8907bb6484c89e39293f78a047b4efdf85addd3
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_longlongint.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_longlongint.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedint.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedint.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ce54e31f96f2129d34d8a299671d5d9c5c7c2de7
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedint.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_unsignedint.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedlongint.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedlongint.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cb8193c9e82c81e822b3888c9626683abffbbef7
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicOperations_unsignedlongint.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicOperations_unsignedlongint.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicViews.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicViews.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..59f4b05d5fc90f5b07bef9c689b5cfc4a855d545
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_AtomicViews.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestAtomicViews.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Atomics.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Atomics.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c9301446b9694a601fb53619179acab8b49a9d90
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Atomics.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestAtomic.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Category.hpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Category.hpp
new file mode 100644
index 0000000000000000000000000000000000000000..358b42d1aaaef441d40c957c06f4e92e2abbaffb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Category.hpp
@@ -0,0 +1,65 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_TEST_HPX_HPP
+#define KOKKOS_TEST_HPX_HPP
+
+#include <gtest/gtest.h>
+
+namespace Test {
+
+class hpx : public ::testing::Test {
+protected:
+  static void SetUpTestCase() {
+  }
+
+  static void TearDownTestCase() {
+  }
+};
+
+} // namespace Test
+
+#define TEST_CATEGORY hpx
+#define TEST_EXECSPACE Kokkos::Experimental::HPX
+
+#endif
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Complex.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Complex.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6edcda6c68202dec187af9b18381aa894cc7ba76
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Complex.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestComplex.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Crs.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Crs.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..33f4262b83fb0dd405eb4e9baa05a4532a04ec09
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Crs.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestCrs.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Init.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Init.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f7cf44128c489f6cfdb030a307726d0c900c2bdb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Init.cpp
@@ -0,0 +1,50 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestInit.hpp>
+#include<TestCompilerMacros.hpp>
+#include<TestPolicyConstruction.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_InterOp.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_InterOp.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..72e440c19e0ed5454b10cf4e08eea0b971a13cf6
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_InterOp.cpp
@@ -0,0 +1,56 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <Kokkos_Core.hpp>
+#include <hpx/TestHPX_Category.hpp>
+
+namespace Test {
+
+// Test whether allocations survive Kokkos initialize/finalize if done via Raw Cuda.
+TEST_F( hpx, raw_hpx_interop )
+{
+  Kokkos::InitArguments arguments{-1,-1,-1, false};
+  Kokkos::initialize(arguments);
+  Kokkos::finalize();
+}
+}
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_a.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_a.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5410402e1dcf3b23271b6b8d8ea83a37bcaeb8d5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_a.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestMDRange_a.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_b.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..be15ba1b8c5fb13e654dfefa1c6e3557de658aca
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_b.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestMDRange_b.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_c.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_c.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e0afafab75f0cc9aea9526a1b69529aeba0b3187
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_c.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestMDRange_c.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_d.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_d.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f9e0a0c8843d29191a9fff64ce006c18dacb6e82
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_d.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestMDRange_d.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_e.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_e.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9fbbfb623813b2e070069d5d0efc6ac0c7817090
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_MDRange_e.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestMDRange_e.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Other.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Other.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3f74ceb7e6e32d651433cc00cacbb8b9e03a0309
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Other.cpp
@@ -0,0 +1,43 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_RangePolicy.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_RangePolicy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ee1124ec8a2c93bada2f28a4af71ac9518e62997
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_RangePolicy.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestRange.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_a.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_a.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5fbe0ff9992da91588ce9edf0ede08f133f96d91
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_a.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestReducers_a.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_b.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d4ed60f1ac0b0440d8222ae79548bf9db6454caa
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_b.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestReducers_b.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_c.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_c.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..87704c4404688701123627831149095779d8c49a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_c.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestReducers_c.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_d.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_d.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..86895358fb94293e0b6d546f529e3529c479206c
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Reducers_d.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestReducers_d.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Reductions.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Reductions.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d8cf6f3da2d67f7f35e548523738f164b041881a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Reductions.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestReduce.hpp>
+#include <TestCXX11Deduction.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Scan.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Scan.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..526cd990ce483ec015f3f5965a263fa3fb31cbee
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Scan.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestScan.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SharedAlloc.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SharedAlloc.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..417fd0ee5759939c87a763b1c71240290058a287
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SharedAlloc.cpp
@@ -0,0 +1,55 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestSharedAlloc.hpp>
+
+namespace Test {
+
+
+TEST_F( TEST_CATEGORY, impl_shared_alloc )
+{
+  test_shared_alloc< Kokkos::HostSpace, TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_a.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_a.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8e2443b5a4debbf1871627d5dc6411141ade4a99
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_a.cpp
@@ -0,0 +1,104 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_auto_1d_left )
+{
+  TestViewSubview::test_auto_1d< Kokkos::LayoutLeft, TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_auto_1d_right )
+{
+  TestViewSubview::test_auto_1d< Kokkos::LayoutRight, TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_auto_1d_stride )
+{
+  TestViewSubview::test_auto_1d< Kokkos::LayoutStride, TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_assign_strided )
+{
+  TestViewSubview::test_1d_strided_assignment< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_left_0 )
+{
+  TestViewSubview::test_left_0< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_left_1 )
+{
+  TestViewSubview::test_left_1< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_left_2 )
+{
+  TestViewSubview::test_left_2< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_left_3 )
+{
+  TestViewSubview::test_left_3< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_right_0 )
+{
+  TestViewSubview::test_right_0< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_right_1 )
+{
+  TestViewSubview::test_right_1< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_right_3 )
+{
+  TestViewSubview::test_right_3< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_b.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5d25fcc2571b98822ac0c6ed55b088cef9e0b268
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_b.cpp
@@ -0,0 +1,63 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_layoutleft_to_layoutleft )
+{
+  TestViewSubview::test_layoutleft_to_layoutleft< TEST_EXECSPACE >();
+  TestViewSubview::test_layoutleft_to_layoutleft< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+  TestViewSubview::test_layoutleft_to_layoutleft< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+TEST_F( TEST_CATEGORY, view_subview_layoutright_to_layoutright )
+{
+  TestViewSubview::test_layoutright_to_layoutright< TEST_EXECSPACE >();
+  TestViewSubview::test_layoutright_to_layoutright< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+  TestViewSubview::test_layoutright_to_layoutright< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c01.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c01.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..36d2ab1bdbfd2b6a63015843d847bde1c36058fb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c01.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_1d_assign )
+{
+  TestViewSubview::test_1d_assign< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c02.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c02.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..19e70fbfbac5ce40639bbe83fea4eabd4d730d82
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c02.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_1d_assign_atomic )
+{
+  TestViewSubview::test_1d_assign< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c03.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c03.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..45b07e43b02e54b62c35d37dec708000ae805bc8
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c03.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_1d_assign_randomaccess )
+{
+  TestViewSubview::test_1d_assign< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c04.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c04.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..484b02560823c50837af5664cc9973e2db25bf47
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c04.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_2d_from_3d )
+{
+  TestViewSubview::test_2d_subview_3d< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c05.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c05.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cbfa024553b2c4cd4ea4883ac47fb1ba840c4e62
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c05.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( hpx, view_subview_2d_from_3d_atomic )
+{
+  TestViewSubview::test_2d_subview_3d< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c06.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c06.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ba2f8e5693531af4aedd58c19cf495101870f66e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c06.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_2d_from_3d_randomaccess )
+{
+  TestViewSubview::test_2d_subview_3d< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c07.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c07.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3cabfebc617055335ac57ba098e6c28741b3a8c4
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c07.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_left )
+{
+  TestViewSubview::test_3d_subview_5d_left< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c08.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c08.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bc78ba83ebcb329ec66f07eb51e2ace136b1585d
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c08.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_left_atomic )
+{
+  TestViewSubview::test_3d_subview_5d_left< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c09.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c09.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bb3381a9e827f7c8f5e110b805359875bc6ae8df
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c09.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_left_randomaccess )
+{
+  TestViewSubview::test_3d_subview_5d_left< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c10.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c10.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..58ae45a7a0b8a6a8e300a4289f2d7eb84806cf7b
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c10.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_right )
+{
+  TestViewSubview::test_3d_subview_5d_right< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c11.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c11.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..19649fbd5667e07cdb4738d02596d10a38285e5e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c11.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_right_atomic )
+{
+  TestViewSubview::test_3d_subview_5d_right< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::Atomic> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c12.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c12.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..dc354dc21eb96320f9685b093ebb7961f69ad5d8
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c12.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_subview_3d_from_5d_right_randomaccess )
+{
+  TestViewSubview::test_3d_subview_5d_right< TEST_EXECSPACE, Kokkos::MemoryTraits<Kokkos::RandomAccess> >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c13.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c13.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8b4955c4c7c7e60d478b062250be5bd554106a9d
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c13.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_test_unmanaged_subview_reset )
+{
+  TestViewSubview::test_unmanaged_subview_reset< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c_all.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c_all.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1103870febcad6b5eaeb7e114f2aee360ba83f0f
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_SubView_c_all.cpp
@@ -0,0 +1,13 @@
+#include <hpx/TestHPX_SubView_c01.cpp>
+#include <hpx/TestHPX_SubView_c02.cpp>
+#include <hpx/TestHPX_SubView_c03.cpp>
+#include <hpx/TestHPX_SubView_c04.cpp>
+#include <hpx/TestHPX_SubView_c05.cpp>
+#include <hpx/TestHPX_SubView_c06.cpp>
+#include <hpx/TestHPX_SubView_c07.cpp>
+#include <hpx/TestHPX_SubView_c08.cpp>
+#include <hpx/TestHPX_SubView_c09.cpp>
+#include <hpx/TestHPX_SubView_c10.cpp>
+#include <hpx/TestHPX_SubView_c11.cpp>
+#include <hpx/TestHPX_SubView_c12.cpp>
+#include <hpx/TestHPX_SubView_c13.cpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Task.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Task.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..754e059c57ac2d9f17fcc1f275a1a09367b3af08
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Task.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestTaskScheduler.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_Team.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_Team.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9851133d0396202623630f83cb7a6ec1d33e961e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_Team.cpp
@@ -0,0 +1,75 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestTeam.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, team_for )
+{
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_for( 0 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_for( 0 );
+
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_for( 2 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_for( 2 );
+
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_for( 1000 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_for( 1000 );
+}
+
+
+TEST_F( TEST_CATEGORY, team_reduce )
+{
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 0 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 0 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 2 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 2 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 1000 );
+  TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 1000 );
+}
+}
+
+#include <TestTeamVector.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_TeamReductionScan.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamReductionScan.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ea9e9087bab4df90029dc18a1e62851f5a965b8a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamReductionScan.cpp
@@ -0,0 +1,81 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestTeam.hpp>
+
+namespace Test {
+
+
+TEST_F( TEST_CATEGORY, team_scan )
+{
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 0 );
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 0 );
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 10 );
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 10 );
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 10000 );
+  TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 10000 );
+}
+
+TEST_F( TEST_CATEGORY, team_long_reduce )
+{
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 0 );
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 0 );
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 3 );
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 3 );
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 100000 );
+  TestReduceTeam< long, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 100000 );
+}
+
+TEST_F( TEST_CATEGORY, team_double_reduce )
+{
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 0 );
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 0 );
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 3 );
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 3 );
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 100000 );
+  TestReduceTeam< double, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 100000 );
+}
+
+} // namespace Test
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_TeamScratch.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamScratch.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d51d3804136c533e1c6041e276a2f99ae4f1b313
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamScratch.cpp
@@ -0,0 +1,83 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestTeam.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, team_shared_request )
+{
+  TestSharedTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
+  TestSharedTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
+}
+
+TEST_F( TEST_CATEGORY, team_scratch_request )
+{
+  TestScratchTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
+  TestScratchTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
+}
+
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+TEST_F( TEST_CATEGORY, team_lambda_shared_request )
+{
+  TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
+  TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
+}
+#endif
+#endif
+
+TEST_F( TEST_CATEGORY, shmem_size )
+{
+  TestShmemSize< TEST_EXECSPACE >();
+}
+
+TEST_F( TEST_CATEGORY, multi_level_scratch )
+{
+  TestMultiLevelScratchTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
+  TestMultiLevelScratchTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
+}
+
+} // namespace Test
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_TeamVectorRange.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamVectorRange.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..21f448f20a43c41f6ca1181454b18dd26bdd0f62
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_TeamVectorRange.cpp
@@ -0,0 +1,48 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestTeamVectorRange.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_UniqueToken.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_UniqueToken.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4f25782237851d12e1d2e2fff3dd38975c70e376
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_UniqueToken.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestUniqueToken.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_a.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_a.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..198aaba0f7bcecce236295529bc2356279842e12
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_a.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewAPI_a.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_b.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bafc735664b8b76c4643d85d84b8f148ae6cebbb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_b.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewAPI_b.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_c.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_c.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0397558645b9ad847c6a000edf3636bec8512004
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_c.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewAPI_c.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_d.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_d.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..aec887189c35e4237aaec8cc21061c7ef188adfd
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_d.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewAPI_d.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_e.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_e.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..3cc3f0cddd3f9062da19c637769253cdd5a637d3
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewAPI_e.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewAPI_e.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_a.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_a.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..15b069f1123ed1198e0044a28b726406b932d96f
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_a.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewMapping_a.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_b.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c1ffc79db2d57bc36a2971f1c1db76917613acb9
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_b.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewMapping_b.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_subview.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_subview.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..1e6dd240ff6dc5b466d21dd04228508dd09c5f04
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewMapping_subview.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewMapping_subview.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_ViewOfClass.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewOfClass.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..525fa09bf387839dca5d12f5894f880f30174b66
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_ViewOfClass.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestViewOfClass.hpp>
+
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_View_64bit.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_View_64bit.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..18d08cedaa6462acac6ab70a8f6ae75281e196ac
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_View_64bit.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <hpx/TestHPX_Category.hpp>
+#include <TestView_64bit.hpp>
diff --git a/lib/kokkos/core/unit_test/hpx/TestHPX_WorkGraph.cpp b/lib/kokkos/core/unit_test/hpx/TestHPX_WorkGraph.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ca980b8a74732b2e5c2af175ab89b9852142f814
--- /dev/null
+++ b/lib/kokkos/core/unit_test/hpx/TestHPX_WorkGraph.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<hpx/TestHPX_Category.hpp>
+#include<TestWorkGraph.hpp>
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8d38e398ca31cc18cbe57d5d8d7075f4cf798847
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmp/TestOpenMP_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cbaf47683a9800356fbe86879ef8efe7c715ded5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmp/TestOpenMP_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bd628e6958b4ffdf0fcda6aa3716894330b4cbc0
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmp/TestOpenMP_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_LocalDeepCopy.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_LocalDeepCopy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8b135ad4a1edc1aa44707a59db5229ea5a750033
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_LocalDeepCopy.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmp/TestOpenMP_Category.hpp>
+#include <TestLocalDeepCopy.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_SubView_a.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_SubView_a.cpp
index 524836d20b70f39192b84977ae5c8687a2d1aeb7..8cea3a76cfbf36ad5467a333dde00b554c735278 100644
--- a/lib/kokkos/core/unit_test/openmp/TestOpenMP_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamVectorRange.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamVectorRange.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..eff8c731822d1354992dde830c105bbd667042e7
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamVectorRange.cpp
@@ -0,0 +1,48 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmp/TestOpenMP_Category.hpp>
+#include<TestTeamVectorRange.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..b2096073d018b6e635bedd53cc370cf67d4c31e9
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmptarget/TestOpenMPTarget_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..da4d5d3c7701c90e1c54566e4149220bc95f6651
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmptarget/TestOpenMPTarget_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..62af98a7312ad33fce0a4b57a06edc610b0b088f
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmptarget/TestOpenMPTarget_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_SubView_a.cpp b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_SubView_a.cpp
index df809ae2a911508cc7e1a22a18850cc1ca6b424f..7a273446a52bcd6f63ea88f307e2ca7836966313 100644
--- a/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/openmptarget/TestOpenMPTarget_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f579ff2e5a322bd464cc20b7489bc0c86626df96
--- /dev/null
+++ b/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<qthreads/TestQqthreads_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c5d1ab922c7a196f00d58cff7ec97da2c6d6306f
--- /dev/null
+++ b/lib/kokkos/core/unit_test/qthreads/TestQqthreads_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<qthreads/TestQqthreads_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/qthreads/TestQthreads_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/qthreads/TestQthreads_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..22d9dbb2f10cfd823023ed52561cc44885812ba5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/qthreads/TestQthreads_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <qthreads/TestQthreads_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/qthreads/TestQthreads_Reductions.cpp b/lib/kokkos/core/unit_test/qthreads/TestQthreads_Reductions.cpp
index f2e2c2339de91f31067dc807a16f76f0975b892a..6b8e001720880a215bd3470e3287f1e7bfd0e2e8 100644
--- a/lib/kokkos/core/unit_test/qthreads/TestQthreads_Reductions.cpp
+++ b/lib/kokkos/core/unit_test/qthreads/TestQthreads_Reductions.cpp
@@ -102,7 +102,7 @@ TEST_F( qthreads, scan )
   TestScan< Kokkos::Qthreads >( 0 );
   TestScan< Kokkos::Qthreads >( 100000 );
   TestScan< Kokkos::Qthreads >( 10000000 );
-  Kokkos::Qthreads::fence();
+  Kokkos::Qthreads().fence();
 #endif
 }
 
@@ -118,7 +118,7 @@ TEST_F( qthreads, scan_small )
   TestScanFunctor( 1000000 );
   TestScanFunctor( 10000000 );
 
-  Kokkos::Qthreads::fence();
+  Kokkos::Qthreads().fence();
 #endif
 }
 
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..85fd89fb2650dee720c855cfd1db5ce05910d57c
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <rocm/TestROCm_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_Spaces.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_Spaces.cpp
index 04a7378ec9376f78ae4d77e4fd395b43fb2b50a3..637cdd9a7f40257a0a30983a34ad3fccde9cef9c 100644
--- a/lib/kokkos/core/unit_test/rocm/TestROCm_Spaces.cpp
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_Spaces.cpp
@@ -176,7 +176,7 @@ struct TestViewROCmAccessible {
   {
     TestViewROCmAccessible self;
     Kokkos::parallel_for( Kokkos::RangePolicy< typename MemSpace::execution_space, TagInit >( 0, N ), self );
-    MemSpace::execution_space::fence();
+    typename MemSpace::execution_space().fence();
 
     // Next access is a different execution space, must complete prior kernel.
     long error_count = -1;
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_a.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_a.cpp
index dd88d3d5ec9bdd15c5fa2807478a4278ceafcef9..4d7e1a8ef2a8b319e15f0a3dd88497a001f2af38 100644
--- a/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e7354cb1165bde4267791d1f41ed494bcfb25e25
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<serial/TestSerial_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..50227db29fdd648ec3cdf43708e66982b62893b1
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<serial/TestSerial_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8280b49fe225f001ea98edbf60f100a075c2b35e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <serial/TestSerial_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_LocalDeepCopy.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_LocalDeepCopy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a7cbcc171e44ca729390b7c1e10e88d02c1a8b91
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_LocalDeepCopy.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <serial/TestSerial_Category.hpp>
+#include <TestLocalDeepCopy.hpp>
+
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_SubView_a.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_SubView_a.cpp
index b9041ae44123b0ca17935f708ae8415204a08088..6ca6b92f05e2875698e9b51414b42e7087adfd5a 100644
--- a/lib/kokkos/core/unit_test/serial/TestSerial_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_TeamVectorRange.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_TeamVectorRange.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f8d8328f780d3e85eb49462b2e02a28f36d1586e
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_TeamVectorRange.cpp
@@ -0,0 +1,48 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<serial/TestSerial_Category.hpp>
+#include<TestTeamVectorRange.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp b/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
index 2db51658cd6bd9f7d3e514a6666a59968806863c..6de5fc7736eca83e808071a289f076a6e5e3c215 100644
--- a/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
+++ b/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
@@ -58,8 +58,15 @@
 #ifdef KOKKOS_ENABLE_THREADS
 #include <threads/TestThreads_Category.hpp>
 #endif
-
-#include <TestMemoryPool.hpp>
+#ifdef KOKKOS_ENABLE_HPX
+#include <hpx/TestHPX_Category.hpp>
+#endif
+#ifndef TEST_EXECSPACE
+#ifdef KOKKOS_ENABLE_SERIAL
+#include <serial/TestSerial_Category.hpp>
+#endif
+#endif 
+#include <TestReduceDeviceView.hpp>
 
 int main( int argc, char *argv[] ) {
   Kokkos::initialize(argc,argv);
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexdouble.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexdouble.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..5201cbdbdbae9812571affe71efea48fc9eefd55
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexdouble.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<threads/TestThreads_Category.hpp>
+#include<TestAtomicOperations_complexdouble.hpp>
+
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexfloat.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexfloat.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..bede254243a513bcc459787199774744cfd75a5f
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_AtomicOperations_complexfloat.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<threads/TestThreads_Category.hpp>
+#include<TestAtomicOperations_complexfloat.hpp>
+
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_DeepCopyAlignment.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_DeepCopyAlignment.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e0f76af4e9bd930fb09caac200b4dc357d1b2d0a
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_DeepCopyAlignment.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <threads/TestThreads_Category.hpp>
+#include <TestDeepCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_LocalDeepCopy.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_LocalDeepCopy.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..cd0aad7f2e9db3dbc2f7012e2efed917fed5a1a5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_LocalDeepCopy.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <threads/TestThreads_Category.hpp>
+#include <TestLocalDeepCopy.hpp>
+
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_SubView_a.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_SubView_a.cpp
index cccf334fc4fafd7b66588ac627f334716a3572d9..983a6ddb668d7e484b7ea5304581aa8234d32024 100644
--- a/lib/kokkos/core/unit_test/threads/TestThreads_SubView_a.cpp
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_SubView_a.cpp
@@ -101,4 +101,11 @@ TEST_F( TEST_CATEGORY, view_subview_right_3 )
   TestViewSubview::test_right_3< TEST_EXECSPACE >();
 }
 
+TEST_F(TEST_CATEGORY, view_static_tests)
+{
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutLeft>()();
+  TestViewSubview::TestSubviewStaticSizes<TEST_EXECSPACE, Kokkos::LayoutRight>()();
+  TestViewSubview::TestExtentsStaticTests<TEST_EXECSPACE>();
+}
+
 } // namespace Test
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_TeamVectorRange.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_TeamVectorRange.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..62b0d666cec1c878cbb5cbee4a9d6cc3df57101d
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_TeamVectorRange.cpp
@@ -0,0 +1,48 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<threads/TestThreads_Category.hpp>
+#include<TestTeamVectorRange.hpp>
+
+
diff --git a/lib/kokkos/doc/Doxyfile b/lib/kokkos/doc/Doxyfile
deleted file mode 100644
index bc5c7486b27fc55ede35359b969af0a8008f960b..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/Doxyfile
+++ /dev/null
@@ -1,127 +0,0 @@
-#
-# Include the global look and feel options
-#
-@INCLUDE               = ../../common/Doxyfile
-#
-# Package options
-#
-PROJECT_NAME           = "Kokkos Core Kernels Package"
-PROJECT_NUMBER         = "Version of the Day"
-OUTPUT_DIRECTORY       = .
-OUTPUT_LANGUAGE        = English
-
-EXTRACT_ALL            = NO
-EXTRACT_PRIVATE        = NO
-EXTRACT_STATIC         = YES
-HIDE_UNDOC_MEMBERS     = YES
-HIDE_UNDOC_CLASSES     = YES
-BRIEF_MEMBER_DESC      = YES
-REPEAT_BRIEF           = YES
-ALWAYS_DETAILED_SEC    = YES
-FULL_PATH_NAMES        = NO
-STRIP_FROM_PATH        = 
-INTERNAL_DOCS          = NO
-CLASS_DIAGRAMS         = YES
-SOURCE_BROWSER         = YES
-INLINE_SOURCES         = NO
-STRIP_CODE_COMMENTS    = YES
-REFERENCED_BY_RELATION = NO
-REFERENCES_RELATION    = NO
-CASE_SENSE_NAMES       = YES
-HIDE_SCOPE_NAMES       = NO
-VERBATIM_HEADERS       = YES
-SHOW_INCLUDE_FILES     = YES
-#JAVADOC_AUTOBRIEF      = YES
-INHERIT_DOCS           = YES
-INLINE_INHERITED_MEMB  = YES
-INLINE_INFO            = YES
-SORT_MEMBER_DOCS       = NO
-TAB_SIZE               = 2
-ENABLED_SECTIONS       = 
-SORT_BRIEF_DOCS        = NO
-GENERATE_TODOLIST      = YES
-GENERATE_TESTLIST      = YES
-QUIET                  = NO
-WARNINGS               = YES
-WARN_IF_UNDOCUMENTED   = YES
-WARN_FORMAT            = "$file:$line: $text"
-
-#
-# INPUT: Where to find files that Doxygen should process.  ../classic
-# has a doc/ subdirectory with its own Doxyfile that points to its own
-# files.  The other Kokkos subpackages don't currently have their own
-# Doxyfile files, so we have to do it manually here.
-#
-# mfh 26 Sep 2013: I've only added those directories in the Core
-# subpackage that constitute the "public interface" of that
-# subpackage.  Please feel free to include additional subdirectories
-# of ../core if you want to generate their documentation as well.
-#
-# mfh 26 Sep 2013: I've only added the Kokkos subpackages here that I
-# think are ready for Doxygen documentation generation.  Please feel
-# free to amend this list as you see fit.
-#
-
-INPUT                  = index.doc ../classic ../core/src ../containers/src ../linalg/src
-FILE_PATTERNS          = *.hpp *.cpp *.cuh *.cu
-RECURSIVE              = NO
-EXCLUDE_PATTERNS       = *.x *.o *.out
-EXAMPLE_PATH           = 
-EXAMPLE_RECURSIVE       = YES
-EXAMPLE_PATTERNS       = *.cpp *.hpp
-IMAGE_PATH             = 
-INPUT_FILTER           = 
-ALPHABETICAL_INDEX     = YES
-COLS_IN_ALPHA_INDEX    = 4
-IGNORE_PREFIX          = 
-#
-# What diagrams are created
-#
-CLASS_GRAPH            = YES
-COLLABORATION_GRAPH    = NO
-INCLUDE_GRAPH          = NO
-INCLUDED_BY_GRAPH      = NO
-GRAPHICAL_HIERARCHY    = YES
-#
-# Preprocessing
-#
-ENABLE_PREPROCESSING   = YES
-MACRO_EXPANSION        = YES
-EXPAND_ONLY_PREDEF     = YES
-SEARCH_INCLUDES        = YES
-INCLUDE_FILE_PATTERNS  = 
-PREDEFINED             = DOXYGEN_SHOULD_SKIP_THIS DOXYGEN_USE_ONLY
-INCLUDE_PATH           = ../src
-EXPAND_AS_DEFINED      = 
-#
-# Links to other packages
-#
-TAGFILES               = ../../common/tag_files/teuchos.tag=../../../teuchos/doc/html ../../common/tag_files/epetra.tag=../../../epetra/doc/html \
-                         ../../common/tag_files/belos.tag=../../../belos/doc/html ../../common/tag_files/anasazi.tag=../../../anasazi/doc/html \
-                         ../../common/tag_files/kokkos.tag=../../../kokkos/doc/html 
-GENERATE_TAGFILE       = ../../common/tag_files/tpetra.tag
-ALLEXTERNALS           = NO
-EXTERNAL_GROUPS        = NO
-#
-# Environment
-#
-PERL_PATH              = /usr/bin/perl
-HAVE_DOT               = YES
-DOT_PATH               = 
-MAX_DOT_GRAPH_WIDTH    = 1024
-MAX_DOT_GRAPH_HEIGHT   = 1024
-#
-# What kind of documentation is generated
-#
-#GENERATE_HTML          = YES
-#HTML_OUTPUT            = html
-#HTML_HEADER            = includes/header.html
-#HTML_FOOTER            = includes/footer.html
-#HTML_STYLESHEET        = includes/stylesheet.css
-#HTML_ALIGN_MEMBERS     = YES
-GENERATE_HTMLHELP      = NO
-DISABLE_INDEX          = NO
-GENERATE_LATEX         = NO
-GENERATE_RTF           = NO
-GENERATE_MAN           = NO
-GENERATE_XML           = NO
diff --git a/lib/kokkos/doc/Kokkos_PG.pdf b/lib/kokkos/doc/Kokkos_PG.pdf
deleted file mode 100644
index 3c415698c0d9fec315f317b71db19f2a019b6f6e..0000000000000000000000000000000000000000
Binary files a/lib/kokkos/doc/Kokkos_PG.pdf and /dev/null differ
diff --git a/lib/kokkos/doc/SAND2017-10464-Kokkos-Task-DAG.pdf b/lib/kokkos/doc/SAND2017-10464-Kokkos-Task-DAG.pdf
deleted file mode 100644
index 571ebff401044a4f4c2d32c2b948280e25f745b5..0000000000000000000000000000000000000000
Binary files a/lib/kokkos/doc/SAND2017-10464-Kokkos-Task-DAG.pdf and /dev/null differ
diff --git a/lib/kokkos/doc/build_docs b/lib/kokkos/doc/build_docs
deleted file mode 100755
index da1d3e4f6e061804b1fb2fe21b356b691494df5d..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/build_docs
+++ /dev/null
@@ -1,15 +0,0 @@
-#!/bin/sh
-
-if [ $TRILINOS_HOME ]; then
-  echo "TRILINOS_HOME has already been set!"
-else
-  echo "TRILINOS_HOME has not been set.  Setting it!"
-  export TRILINOS_HOME=`pwd`/../../..
-fi
-
-echo
-echo "Generating main Kokkos doxygen documentation ..."
-echo
-
-doxygen Doxyfile
-
diff --git a/lib/kokkos/doc/design_notes_space_instances.md b/lib/kokkos/doc/design_notes_space_instances.md
deleted file mode 100644
index 0124dfbc873285255fa92ff171dc5873056495ab..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/design_notes_space_instances.md
+++ /dev/null
@@ -1,131 +0,0 @@
-# Design Notes for Execution and Memory Space Instances
-
-## Objective
-
- * Enable Kokkos interoperability with coarse-grain tasking models
- 
-## Requirements
-
- * Backwards compatable with existing Kokkos API
- * Support existing Host execution spaces (Serial, Threads, OpenMP, maybe Qthreads)
- * Support DARMA threading model (may require a new Host execution space)
- * Support Uintah threading model, i.e. indepentant worker threadpools working of of shared task queues
- 
-  
-## Execution Space
-
-  * Parallel work is *dispatched* on an execution space instance
-  
-  * Execution space instances are conceptually disjoint/independant from each other 
-  
-
-## Host Execution Space Instances
-
-  *  A host-side *control* thread dispatches work to an instance
-
-  * `main` is the initial control thread
-
-  *  A host execution space instance is an organized thread pool
-
-  *  All instances are disjoint, i.e. hardware resources are not shared between instances
-
-  *  Exactly one control thread is associated with
-     an instance and only that control thread may
-     dispatch work to to that instance
-
-  *  The control thread is a member of the instance
-
-  *  The pool of threads associated with an instances is not mutatable during that instance existance
-
-  *  The pool of threads associated with an instance may be masked
-
-    -  Allows work to be dispatched to a subset of the pool
-
-    -  Example: only one hyperthread per core of the instance
-
-    -  A mask can be applied during the policy creation of a parallel algorithm
- 
-    -  Masking is portable by defining it as ceiling of fraction between [0.0, 1.0] 
-       of the available resources
-
-```
-class ExecutionSpace {
-public:
-  using execution_space = ExecutionSpace;
-  using memory_space = ...;
-  using device_type = Kokkos::Device<execution_space, memory_space>;
-  using array_layout = ...;
-  using size_type = ...;
-  using scratch_memory_space = ...;
-  
-  
-  class Instance
-  {
-    int thread_pool_size( int depth = 0 );
-    ...
-  };
-  
-  class InstanceRequest
-  {
-  public:
-    using Control = std::function< void( Instance * )>;
-    
-    InstanceRequest( Control control
-                   , unsigned thread_count
-                   , unsigned use_numa_count = 0
-                   , unsigned use_cores_per_numa = 0
-                   );    
-  
-  };
-  
-  static bool in_parallel();
-  
-  static bool sleep();
-  static bool wake();
-  
-  static void fence();
-  
-  static void print_configuration( std::ostream &, const bool detailed = false );
-  
-  static void initialize( unsigned thread_count = 0
-                        , unsigned use_numa_count = 0
-                        , unsigned use_cores_per_numa = 0
-                        );
-  
-  // Partition the current instance into the requested instances
-  // and run the given functions on the cooresponding instances
-  // will block until all the partitioned instances complete and 
-  // the original instance will be restored 
-  //
-  // Requires that the space has already been initialized
-  // Requires that the request can be statisfied by the current instance
-  //   i.e. the sum of number of requested threads must be less than the 
-  //   max_hardware_threads
-  //
-  // Each control functor will accept a handle to its new default instance
-  // Each instance must be independant of all other instances 
-  //   i.e. no assumption on scheduling between instances
-  // The user is responible for checking the return code for errors
-  static int run_instances( std::vector< InstanceRequest> const& requests );
-  
-  static void finalize();
-
-  static int is_initialized();
-  
-  static int concurrency();
-  
-  static int thread_pool_size( int depth = 0 );
-  
-  static int thread_pool_rank();
-  
-  static int max_hardware_threads();
-  
-  static int hardware_thread_id();
-                        
- };
-
-```
- 
-
-
-
diff --git a/lib/kokkos/doc/develop_builds.md b/lib/kokkos/doc/develop_builds.md
deleted file mode 100644
index 9a211fa77644ebbfcdef414e10b2afd02afc5940..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/develop_builds.md
+++ /dev/null
@@ -1,76 +0,0 @@
-
-# Places to build options: architecture, device, advanced options, cuda options
-
-These are the files that need to be updated when a new architecture or device is
-added:
-
-  + generate_makefile.bash
-      * Interface for makefile system
-  + cmake/kokkos_options.cmake
-      * Interface for cmake system
-  + Makefile.kokkos
-      * Main logic for build (make and cmake) and defines (KokkosCore_config.h)
-  + core/unit_test/UnitTestConfig.make
-      * Unit test for Makefile.kokkos
-
-In general, an architecture is going to be from on of these platforms:
-  + AMD
-  + ARM
-  + IBM
-  + Intel
-  + Intel Xeon Phi
-  + NVIDIA
-Although not strictly necessary, it is helpful to keep things organized by
-grouping by platform.
-
-### generate_makefile.sh
-
-The bash code does not do any error checking on the `--arch=`  or `--device=`
-arguments thus strictly speaking you do not *need* to do anything to add a 
-device or architecture; however, you should add it to the help menu.  For the
-archictectures, please group by one of the platforms listed above.
-
-
-### cmake/kokkos_options.cmake and cmake/kokkos_settings.cmake
-
-The options for the CMake build system are: `-DKOKKOS_HOST_ARCH:STRING=` and
-`-DKOKKOS_ENABLE_<device>:BOOL=`.  Although any string can be passed into
-KOKKOS_HOST_ARCH option, it is checked against an accepted list.  Likewise, the
-KOKKOS_ENABLE_<device> must have the option added AND it is formed using the
-list. Thus: 
-  + A new architecture should be added to the KOKKOS_HOST_ARCH_LIST variable.
-  + A new device should be added to the KOKKOS_DEVICES_LIST variable **AND** a
-    KOKKOS_ENABLE_<newdevice> option specified (see KOKKOS_ENABLE_CUDA for
-    example).
-  + A new device should be added to the KOKKOS_DEVICES_LIST variable **AND** a
-
-The translation from option to the `KOKKOS_SETTINGS` is done in
-`kokkos_settings.cmake`.  This translation is automated for some types if you ad
-to the list, but for others, it may need to be hand coded. 
-
-
-### Makefile.kokkos
-
-This is the main coding used by both the make and cmake system for defining
-the sources (generated makefile and cmake snippets by `core/src/Makefile`), for
-setting the defines in KokkosCore_config.h, and defining various internal
-variables.  To understand how to add to this file, you should work closely with
-the Kokkos development team.
-
-
-### core/unit_test/UnitTestConfig.make
-
-This file is used to check the build system in a platform-independent way.  It
-works by looping over available architectures and devices; thus, you should add
-your new architecure to KOKKOS_ARCH_OPTIONS and your new device to 
-KOKKOS_DEVICE_OPTIONS to be tested.  The build system tests work by grepping the
-generated build files (automatically).  The header file tests work by diffing
-the generated file with results that are stored in
-`core/unit_tests/config/results` (namespaced by ARCH_DEVICE_).  Thus, you will
-need to add accepted results to this directory for diffing.
-
-The CMake build system is also tested in `core/unit_tests/config/cmaketest`.
-Because it uses cmake/kokkos_options.cmake, it already has the tests to loop
-over.  It is diffed with the same files that the build system is tested with.
-Thus, if you are consistent in all of the files listed, the unit tests should
-pass automatically.
diff --git a/lib/kokkos/doc/hardware_identification/query_cuda_arch.cpp b/lib/kokkos/doc/hardware_identification/query_cuda_arch.cpp
deleted file mode 100644
index 383f04e34e08949142e33ede90a6e294642c1ba8..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/hardware_identification/query_cuda_arch.cpp
+++ /dev/null
@@ -1,24 +0,0 @@
-#include <cstdio>
-#include <cuda_runtime_api.h>
-int main()
-{
-	cudaDeviceProp prop;
-  const cudaError_t err_code = cudaGetDeviceProperties(&prop, 0);
-  if (cudaSuccess != err_code) {
-		fprintf(stderr,"cudaGetDeviceProperties failed: %s\n", cudaGetErrorString(err_code));
-		return -1;
-	}
-  switch (prop.major) {
-    case 3:
-      printf("Kepler"); break;
-    case 5:
-      printf("Maxwell"); break;
-    case 6:
-      printf("Pascal"); break;
-    default:
-      fprintf(stderr, "Unspported Device %d%d\n", (int)prop.major, (int)prop.minor);
-      return -1;
-  }
-  printf("%d%d\n", (int)prop.major, (int)prop.minor);
-  return 0;
-}
diff --git a/lib/kokkos/doc/index.doc b/lib/kokkos/doc/index.doc
deleted file mode 100644
index 27a9e4f2e7b90e11bbcde7309e9bf1544e3b386f..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/index.doc
+++ /dev/null
@@ -1,72 +0,0 @@
-/*! 
-\mainpage Trilinos/Kokkos: Shared-memory programming interface and computational kernels
-
-\section Kokkos_Intro Introduction
-
-The %Kokkos package has two main components.  The first, sometimes
-called "%Kokkos Array" or just "%Kokkos," implements a
-performance-portable shared-memory parallel programming model and data
-containers.  The second, called "%Kokkos Classic," consists of
-computational kernels that support the %Tpetra package.
-
-\section Kokkos_Kokkos The %Kokkos programming model
-
-%Kokkos implements a performance-portable shared-memory parallel
-programming model and data containers.  It lets you write an algorithm
-once, and just change a template parameter to get the optimal data
-layout for your hardware.  %Kokkos has back-ends for the following
-parallel programming models:
-
-- Kokkos::Threads: POSIX Threads (Pthreads)
-- Kokkos::OpenMP: OpenMP
-- Kokkos::Cuda: NVIDIA's CUDA programming model for graphics
-  processing units (GPUs)
-- Kokkos::Serial: No thread parallelism
-
-%Kokkos also has optimizations for shared-memory parallel systems with
-nonuniform memory access (NUMA).  Its containers can hold data of any
-primitive ("plain old") data type (and some aggregate types).  %Kokkos
-Array may be used as a stand-alone programming model.
-
-%Kokkos' parallel operations include the following:
-
-- parallel_for: a thread-parallel "for loop"
-- parallel_reduce: a thread-parallel reduction
-- parallel_scan: a thread-parallel prefix scan operation
-
-as well as expert-level platform-independent interfaces to thread
-"teams," per-team "shared memory," synchronization, and atomic update
-operations.
-
-%Kokkos' data containers include the following:
-
-- Kokkos::View: A multidimensional array suitable for thread-parallel
-  operations.  Its layout (e.g., row-major or column-major) is
-  optimized by default for the particular thread-parallel device.
-- Kokkos::Vector: A drop-in replacement for std::vector that eases
-  porting from standard sequential C++ data structures to %Kokkos'
-  parallel data structures.
-- Kokkos::UnorderedMap: A parallel lookup table comparable in
-  functionality to std::unordered_map.
-
-%Kokkos also uses the above basic containers to implement higher-level
-data structures, like sparse graphs and matrices.
-
-A good place to start learning about %Kokkos would be <a href="http://trilinos.sandia.gov/events/trilinos_user_group_2013/presentations/2013-11-TUG-Kokkos-Tutorial.pdf">these tutorial slides</a> from the 2013 Trilinos Users' Group meeting.
-
-\section Kokkos_Classic %Kokkos Classic
-
-"%Kokkos Classic" consists of computational kernels that support the
-%Tpetra package.  These kernels include sparse matrix-vector multiply,
-sparse triangular solve, Gauss-Seidel, and dense vector operations.
-They are templated on the type of objects (\c Scalar) on which they
-operate.  This component was not meant to be visible to users; it is
-an implementation detail of the %Tpetra distributed linear algebra
-package.  
-
-%Kokkos Classic also implements a shared-memory parallel programming
-model.  This inspired and preceded the %Kokkos programming model
-described in the previous section.  Users should consider the %Kokkos
-Classic programming model deprecated, and prefer the new %Kokkos
-programming model.
-*/
diff --git a/lib/kokkos/doc/kokkos-promotion.txt b/lib/kokkos/doc/kokkos-promotion.txt
deleted file mode 100644
index 0aede5f328fe824cea5e61bd213fbe97b523b5a0..0000000000000000000000000000000000000000
--- a/lib/kokkos/doc/kokkos-promotion.txt
+++ /dev/null
@@ -1,196 +0,0 @@
-Summary:
-
-- Step 1: Testing Kokkos itself using test_all_sandia
-
-- Step 2: Testing of Kokkos integrated into Trilinos (scripts/trilinos-integration/*.sh)
-
-- Step 3: Close all issues labeled "InDevelop"
-
-- Step 4: Locally update CHANGELOG, merge into master, edit scripts/master_history.txt
-
-- Step 5: Locally snapshot new master into corresponding Trilinos branch (develop or temporary), push with checking-test-sems.sh
-
-- Step 6: Push local Kokkos master to GitHub (need Owner approval)
-
-Steps 1, 2, and 4 include testing that may fail. These failures must be fixed either by pull requests to Kokkos develop, or by creating a new Trilinos branch for parts of Trilinos that must be updated. This is what usually takes the most time.
-
-
-// -------------------------------------------------------------------------------- //
-
-
-Step 1: The following should be repeated on enough machines to cover all
-supported compilers. Those machines are:
-
-    kokkos-dev
-    ??? <- TODO: identify other machines
-
-  1.1. Clone kokkos develop branch (or just switch to it)
-
-         git clone -b develop git@github.com:kokkos/kokkos.git
-         cd kokkos
-
-  1.2. Create a testing directory
-
-         mkdir testing
-         cd testing
-
-  1.3. Run the test_all_sandia script with no options to test all compilers
-
-         nohup ../scripts/test_all_sandia &
-         tail -f nohup.out                   # to watch progress
-
-// -------------------------------------------------------------------------------- //
-
-Step 2:
-  2.1. Build and test Trilinos with 4 different configurations; Run scripts for white and shepard that are provided in kokkos/scripts/trilinos-integration. These scripts load their own modules/environment, so don't require preparation. You can run all four at the same time, use separate directories for each.
-
-         mkdir serial
-         cd serial
-         nohup KOKKOS_PATH/scripts/trilinos-integration/shepard_jenkins_run_script_serial_intel &
-
-  2.2. Compare the compile errors and test failures between updated and pristine versions. There may be compile failures that happen in both, tests that fail in both, and there may be tests that only fail some times (thus, rerun tests manually as needed).
-
-// -------------------------------------------------------------------------------- //
-
-Step 3: Close all issues labeled "InDevelop"
-      
-       Use the GitHub web interface: https://github.com/kokkos/kokkos/issues?q=is%3Aopen+is%3Aissue+label%3AInDevelop
-       Select all with checkbox in upper left, "Mark as closed" 
-
-// -------------------------------------------------------------------------------- //
-
-Step 4: This step should be run on kokkos-dev
-
-  4.1. If you don't have a GitHub token already, generate one for yourself (this will give you TOKEN):
-
-       https://github.com/settings/tokens
-
-  4.2. Get a clean copy of the Kokkos develop branch
-
-       git clone -b develop git@github.com:kokkos/kokkos.git
-       cd kokkos
-
-  4.3. If you haven't already, install Ruby and the "github_changelog_generator" "gem"
-       The github_changelog_generator is here: https://github.com/skywinder/github-changelog-generator
-       Its compatible Ruby version can be found here: https://github.com/skywinder/github-changelog-generator/blob/master/.ruby-version
-       Grab the corresponding Ruby version from here: https://www.ruby-lang.org/en/downloads/
-       Follow the usual configure,make,make install process: https://www.ruby-lang.org/en/documentation/installation/#building-from-source
-       Note that you will likely have to install to a non-default location with "./configure --prefix=/path"
-
-  4.4. Generate the initial changelog. Use the most recent tag as OLDTAG (`git tag -l` can show you all tags). The NEWTAG is the new version number, e.g. "2.04.00". RUN THIS OUTSIDE THE KOKKOS SOURCE TREE!
-
-       github_changelog_generator kokkos/kokkos --token TOKEN --no-pull-requests --include-labels 'InDevelop' --exclude-labels 'question,DevelopOnly' --enhancement-labels 'enhancement,Feature Request' --future-release 'NEWTAG' --between-tags 'NEWTAG,OLDTAG'
-       cat CHANGELOG.md
-
-       Note: you may need to set an HTTPS proxy in order for this script to work:
-       export https_proxy=http://wwwproxy.sandia.gov:80
-
-  4.5. Manually cleanup and commit the change log.
-       (Copy the new section from the generated CHANGELOG.md to KOKKOS_PATH/CHANGELOG.md)
-       (Make desired changes to CHANGELOG.md to enhance clarity (remove issues not noteworthy))
-       (Commit the CHANGELOG.md locally to develop)
-
-       The changelog commit message should be:
-
-          Adding Changelog for Release A.B.CD
-
-          Part of Kokkos C++ Performance Portability Programming EcoSystem A.B
-
-  4.6. Merge develop into master. DO NOT FAST-FORWARD THE MERGE!!!!
-       DO NOT USE AN OLD GIT VERSION!!!!
-
-       (From kokkos directory):
-       git checkout master
-       git merge --no-ff develop
-
-       The merge commit message should be:
-
-          Merge branch 'develop' for A.B.CD
-
-          Part of Kokkos C++ Performance Portability Programming EcoSystem A.B
-
-  4.7. Update the tag in kokkos/scripts/master_history.txt
-
-       Tag description: MajorNumber.MinorNumber.WeeksSinceMinorNumberUpdate
-       Tag field widths: #.#.##
-       date description: month:day:year
-       date field widths: ##:##:####
-       master description: SHA1 of previous master commit (use `git log --first-parent master`)
-       develop description: SHA1 of merged develop branch (use `git log develop`)
-       SHA1 field width: ######## (8 chars)
-
-       # Append to scripts/master_history.txt:
-
-       tag:  2.03.13    date: 07:27:2017    master: da314444    develop: 29ccb58a
-       
-       git commit --amend -a
-
-       Keep the merge commit as described in 4.6
-
-  4.8. Create the new tag:
-
-       git tag -a #.#.##
-
-         (type the following into the tag message (same as for step 4.7))
-         tag: #.#.##
-         date: mm/dd/yyyy
-         master: sha1
-         develop: sha1
-
-  4.9. DO NOT PUSH YET !!!
-
-
-// -------------------------------------------------------------------------------- //
-
-Step 5: This step can be done on any SEMS machine (e.g. kokkos-dev). Actually, the checkin step requires lots of disk space and RAM. Use ceerws1113 if you have access to it.
-
-  5.1. Clone the Trilinos corresponding branch (or just switch to it)
-
-        git clone -b kokkos-develop git@github.com:trilinos/Trilinos.git
-        TRILINOS_PATH=$PWD/Trilinos
-
-  5.2. Snapshot Kokkos into Trilinos - this requires python/2.7.9 and that both Trilinos and Kokkos be clean - no untracked or modified files. Run the following outside of the Kokkos and Trilinos source trees. 
-
-      * Use the master branch of Kokkos for this.
-
-        module load sems-python/2.7.9
-        python $KOKKOS_PATH/scripts/snapshot.py $KOKKOS_PATH $TRILINOS_PATH/packages
-
-       If snapshotting kokkos-kernels, use the snapshot.py in kokkos.
-
-  5.3. Push this Trilinos branch to GitHub, open a pull request for it.
-       The pull request title should be
-
-       Kokkos + KokkosKernels Promotion To Version X.X.XX
-
-       Mention @trilinos/kokkos and @trilinos/kokkos-kernels
-
-       Add a short description of the most significant features and bug fixes.
-
-       Then add:
-
-       ## Kokkos Changelog
-
-       And copy-paste the content for this release from the kokkos CHANGELOG.md file, then do the same for kokkos-kernels under:
-
-       ## KokkosKernels Changelog
-
-  5.4. Wait for Trilinos Autotester results
-
-  5.5. If there are failures, fix and backtrack. Otherwise, go to next step
-
-// -------------------------------------------------------------------------------- //
-
-Step 6: Push Kokkos master and develop to GitHub (requires Owner permission).
-      
-  6.1. Master branch:
-       cd KOKKOS_PATH
-       git checkout master
-       git push --follow-tags origin master 
-
-  6.2. Develop branch: First merge (--no-ff) master back into develop
-       cd KOKKOS_PATH
-       git checkout develop
-       git merge --no-ff maseter
-       git push origin develop 
-
diff --git a/lib/kokkos/example/cmake/Dependencies.cmake b/lib/kokkos/example/cmake/Dependencies.cmake
index ed1ec4c7259ef88fbbc28b9fcbde6d81ae8adf1f..741db6a0c426bb8290c28275794fc19fe9d96ffc 100644
--- a/lib/kokkos/example/cmake/Dependencies.cmake
+++ b/lib/kokkos/example/cmake/Dependencies.cmake
@@ -1,3 +1,3 @@
 TRIBITS_PACKAGE_DEFINE_DEPENDENCIES(
-  TEST_OPTIONAL_TPLS CUSPARSE MKL
+  TEST_OPTIONAL_TPLS CUSPARSE MKL HPX
   )
diff --git a/lib/kokkos/example/common/VectorImport.hpp b/lib/kokkos/example/common/VectorImport.hpp
index 566f03a2931e02574a0c064bdc60adb3eef4c33d..dd35bd568712f7b3b44cda6c47cf5e4cd027d6d5 100644
--- a/lib/kokkos/example/common/VectorImport.hpp
+++ b/lib/kokkos/example/common/VectorImport.hpp
@@ -110,10 +110,10 @@ class VectorImport {
 private:
 
   // rank == 1 or array_layout == LayoutRight
-  enum { OK = Kokkos::Impl::StaticAssert<
-           ( VectorType::rank == 1 ) ||
-           std::is_same< typename VectorType::array_layout , Kokkos::LayoutRight >::value
-         >::value };
+  static_assert(
+             ( VectorType::rank == 1 ) ||
+             std::is_same< typename VectorType::array_layout , Kokkos::LayoutRight >::value,
+             "Kokkos::Example::VectorImport Assert Fail: rank != 1 or array_layout != LayoutRight" );
 
   typedef typename VectorType::HostMirror HostVectorType ;
 
@@ -153,7 +153,7 @@ public:
       , buffer( arg_buffer )
     {
       Kokkos::parallel_for( index.dimension_0() , *this );
-      execution_space::fence();
+      execution_space().fence();
     }
   };
 
diff --git a/lib/kokkos/example/feint/Makefile b/lib/kokkos/example/feint/Makefile
index 12e09123df3ca79f315feb15ef4ca40d7dd3e4fc..61ddb3e2764b59082ec027d43f0a7d634b27e2a5 100644
--- a/lib/kokkos/example/feint/Makefile
+++ b/lib/kokkos/example/feint/Makefile
@@ -47,6 +47,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
   OBJ_EXAMPLE_FEINT += feint_openmp.o
 endif
 
+ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1)
+  OBJ_EXAMPLE_FEINT += feint_hpx.o
+endif
+
 TARGETS = $(EXE_EXAMPLE_FEINT)
 
 #TEST_TARGETS =
diff --git a/lib/kokkos/example/feint/feint_hpx.cpp b/lib/kokkos/example/feint/feint_hpx.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..12e1a5af4e5ae237309cca85f181af180be3bf60
--- /dev/null
+++ b/lib/kokkos/example/feint/feint_hpx.cpp
@@ -0,0 +1,67 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <Kokkos_Core.hpp>
+
+#if defined(KOKKOS_ENABLE_HPX)
+
+#include <feint.hpp>
+
+namespace Kokkos {
+namespace Example {
+
+template void feint<Kokkos::Experimental::HPX, false>(
+  const unsigned global_elem_nx ,
+  const unsigned global_elem_ny ,
+  const unsigned global_elem_nz );
+
+template void feint<Kokkos::Experimental::HPX, true>(
+  const unsigned global_elem_nx ,
+  const unsigned global_elem_ny ,
+  const unsigned global_elem_nz );
+
+} /* namespace Example */
+} /* namespace Kokkos */
+
+#endif /* #if defined( KOKKOS_ENABLE_HPX ) */
+
diff --git a/lib/kokkos/example/fenl/CGSolve.hpp b/lib/kokkos/example/fenl/CGSolve.hpp
index 4723ed8ce10c7660c69edb84fe8d3d633ec5f550..276c18e4d7f14aa8f55715e6e5ea8599e4a572eb 100644
--- a/lib/kokkos/example/fenl/CGSolve.hpp
+++ b/lib/kokkos/example/fenl/CGSolve.hpp
@@ -259,7 +259,7 @@ void cgsolve( const ImportType & import
     timer.reset();
     /* import p    */  import( pAll );
     /* Ap = A * p  */  multiply( count_owned , Ap , A , pAll );
-    Space::fence();
+    Space().fence();
     matvec_time += timer.seconds();
 
     const double pAp_dot = Kokkos::Example::all_reduce( dot( count_owned , p , Ap ) , import.comm );
@@ -278,7 +278,7 @@ void cgsolve( const ImportType & import
     ++iteration ;
   }
 
-  Space::fence();
+  Space().fence();
   iter_time = wall_clock.seconds();
 
   if ( 0 != result ) {
diff --git a/lib/kokkos/example/fenl/fenl.cpp b/lib/kokkos/example/fenl/fenl.cpp
index 11894a774d8fbb1b3b9f886d86e52dd80e65fcc6..77c51ab55107ef77d4e5c7a459620790f404e2fa 100644
--- a/lib/kokkos/example/fenl/fenl.cpp
+++ b/lib/kokkos/example/fenl/fenl.cpp
@@ -89,6 +89,28 @@ Perf fenl< Kokkos::OpenMP , Kokkos::Example::BoxElemPart::ElemQuadratic >(
 
 #endif
 
+
+#if defined (KOKKOS_ENABLE_HPX)
+
+template
+Perf fenl< Kokkos::Experimental::HPX , Kokkos::Example::BoxElemPart::ElemLinear >(
+  MPI_Comm comm ,
+  const int use_print ,
+  const int use_trials ,
+  const int use_atomic ,
+  const int global_elems[] );
+
+
+template
+Perf fenl< Kokkos::Experimental::HPX , Kokkos::Example::BoxElemPart::ElemQuadratic >(
+  MPI_Comm comm ,
+  const int use_print ,
+  const int use_trials ,
+  const int use_atomic ,
+  const int global_elems[] );
+
+#endif
+
 #if defined (KOKKOS_ENABLE_SERIAL)
 
 template
diff --git a/lib/kokkos/example/fenl/fenl_functors.hpp b/lib/kokkos/example/fenl/fenl_functors.hpp
index d0b484b5fb8fc31bec626cf8e1a943f0dd2deac5..96c89de29be5eb93ae13125b7df850699b700055 100644
--- a/lib/kokkos/example/fenl/fenl_functors.hpp
+++ b/lib/kokkos/example/fenl/fenl_functors.hpp
@@ -162,7 +162,7 @@ public:
 
       } while ( failed_insert_count );
 
-      execution_space::fence();
+      execution_space().fence();
       results.ratio = (double)node_node_set.size() / (double)node_node_set.capacity();
       results.fill_node_set = wall_clock.seconds();
       //--------------------------------
@@ -189,14 +189,14 @@ public:
       //--------------------------------
       // Fill graph's entries from the (node,node) set.
 
-      execution_space::fence();
+      execution_space().fence();
       results.scan_node_count = wall_clock.seconds();
 
       wall_clock.reset();
       phase = FILL_GRAPH_ENTRIES ;
       Kokkos::parallel_for( node_node_set.capacity() , *this );
 
-      execution_space::fence();
+      execution_space().fence();
       results.fill_graph_entries = wall_clock.seconds();
 
       //--------------------------------
@@ -213,7 +213,7 @@ public:
 
       Kokkos::parallel_for( node_count , *this );
 
-      execution_space::fence();
+      execution_space().fence();
       results.sort_graph_entries = wall_clock.seconds();
 
       //--------------------------------
@@ -223,7 +223,7 @@ public:
       elem_graph = ElemGraphType("elem_graph", elem_node_id.extent(0) );
       Kokkos::parallel_for( elem_node_id.extent(0) , *this );
 
-      execution_space::fence();
+      execution_space().fence();
       results.fill_element_graph = wall_clock.seconds();
     }
 
@@ -529,7 +529,7 @@ public:
       Kokkos::deep_copy( row_count , 0u );
       Kokkos::parallel_for( elem_node_id.extent(0) , *this );
 
-      execution_space::fence();
+      execution_space().fence();
 
       //--------------------------------
       // Done with the temporary sets and arrays
@@ -543,7 +543,7 @@ public:
       phase = SORT_GRAPH_ENTRIES ;
       Kokkos::parallel_for( residual.extent(0) , *this );
 
-      execution_space::fence();
+      execution_space().fence();
 
       phase = GATHER_FILL ;
     }
diff --git a/lib/kokkos/example/fenl/fenl_impl.hpp b/lib/kokkos/example/fenl/fenl_impl.hpp
index 1996a79729a72004a5ea0d3d7b04d9d3e9d5243d..4f756435c14b7ad56d616d539bd19fc32073d2d0 100644
--- a/lib/kokkos/example/fenl/fenl_impl.hpp
+++ b/lib/kokkos/example/fenl/fenl_impl.hpp
@@ -345,7 +345,7 @@ Perf fenl(
 
     SparseMatrixType jacobian( mesh_to_graph.graph );
 
-    Space::fence();
+    Space().fence();
 
     perf.create_sparse_matrix = maximum( comm , wall_clock.seconds() );
 
@@ -440,7 +440,7 @@ Perf fenl(
         gatherfill.apply();
       }
 
-      Space::fence();
+      Space().fence();
       perf.fill_time = maximum( comm , wall_clock.seconds() );
 
       //--------------------------------
@@ -450,7 +450,7 @@ Perf fenl(
 
       dirichlet.apply();
 
-      Space::fence();
+      Space().fence();
       perf.bc_time = maximum( comm , wall_clock.seconds() );
 
       //--------------------------------
diff --git a/lib/kokkos/example/fenl/main.cpp b/lib/kokkos/example/fenl/main.cpp
index 73f93a4a98df71dbc18030c19d3d25d28500e838..bd65e7683a8a11b7bf7013d3a575e488fc6c47d4 100644
--- a/lib/kokkos/example/fenl/main.cpp
+++ b/lib/kokkos/example/fenl/main.cpp
@@ -69,6 +69,7 @@ enum { CMD_USE_THREADS = 0
      , CMD_USE_CUDA
      , CMD_USE_ROCM
      , CMD_USE_OPENMP
+     , CMD_USE_HPX
      , CMD_USE_CUDA_DEV
      , CMD_USE_FIXTURE_X
      , CMD_USE_FIXTURE_Y
@@ -98,6 +99,10 @@ void print_cmdline( std::ostream & s , const int cmd[] )
       << ") CORE_PER_NUMA(" << cmd[ CMD_USE_CORE_PER_NUMA ]
       << ")" ;
   }
+  if ( cmd[ CMD_USE_HPX ] ) {
+    s << " HPX(" << cmd[ CMD_USE_HPX ]
+      << ")" ;
+  }
   if ( cmd[ CMD_USE_FIXTURE_X ] ) {
     s << " Fixture(" << cmd[ CMD_USE_FIXTURE_X ]
       << "x" << cmd[ CMD_USE_FIXTURE_Y ]
@@ -170,6 +175,7 @@ void run( MPI_Comm comm , const int cmd[] )
   if ( 0 == comm_rank ) {
     if ( cmd[ CMD_USE_THREADS ] ) { std::cout << "THREADS , " << cmd[ CMD_USE_THREADS ] ; }
     else if ( cmd[ CMD_USE_OPENMP ] ) { std::cout << "OPENMP , " << cmd[ CMD_USE_OPENMP ] ; }
+    else if ( cmd[ CMD_USE_HPX ] ) { std::cout << "HPX , " << cmd[ CMD_USE_HPX ] ; }
     else if ( cmd[ CMD_USE_CUDA ] ) { std::cout << "CUDA" ; }
     else if ( cmd[ CMD_USE_ROCM ] ) { std::cout << "ROCM" ; }
 
@@ -331,8 +337,10 @@ int main( int argc , char ** argv )
         << " -target-pid " << my_os_pid << " &";
     if (p_rank == 0)
       std::cout << cmd.str() << std::endl;
-    system(cmd.str().c_str());
-    system("sleep 10");
+    int error = system(cmd.str().c_str());
+    if(error) printf("System Call Result: %i\n",error);
+    error = system("sleep 10");
+    if(error) printf("System Call Result: %i\n",error);
   }
 
   if ( ! cmdline[ CMD_ERROR ] && ! cmdline[ CMD_ECHO ] ) {
diff --git a/lib/kokkos/example/md_skeleton/force.cpp b/lib/kokkos/example/md_skeleton/force.cpp
index 53a48f3fef28871d6c8b3697b0c702e8cc813ea7..beb2dc8929d5e5d426156617cfcac7d7be88c070 100644
--- a/lib/kokkos/example/md_skeleton/force.cpp
+++ b/lib/kokkos/example/md_skeleton/force.cpp
@@ -178,7 +178,7 @@ double2 force(System &s,int evflag) {
   else
     Kokkos::parallel_reduce(s.nlocal,f,ev);
 
-  execution_space::fence();
+  execution_space().fence();
   return ev;
 }
 
diff --git a/lib/kokkos/example/md_skeleton/neighbor.cpp b/lib/kokkos/example/md_skeleton/neighbor.cpp
index 25cabb33026342da73eddceee5413c3b34662fb2..60e33d31f79fae49f683432556867191d010d43a 100644
--- a/lib/kokkos/example/md_skeleton/neighbor.cpp
+++ b/lib/kokkos/example/md_skeleton/neighbor.cpp
@@ -388,11 +388,11 @@ void neigh_build(System &s) {
     MemsetZeroFunctor f_zero;
     f_zero.ptr = (void*) s.bincount.ptr_on_device();
     Kokkos::parallel_for(s.mbins, f_zero);
-    execution_space::fence();
+    execution_space().fence();
 
     BinningFunctor f(s);
     Kokkos::parallel_for(s.natoms, f);
-    execution_space::fence();
+    execution_space().fence();
 
     /* Check if bins was large enough, if nor reallocated and rerun */
 
@@ -416,7 +416,7 @@ void neigh_build(System &s) {
     BuildFunctor f(s);
     Kokkos::parallel_for(s.nlocal, f);
 
-    execution_space::fence();
+    execution_space().fence();
 
     /* Check if neighbors was large enough, if nor reallocated and rerun */
 
diff --git a/lib/kokkos/example/multi_fem/Explicit.hpp b/lib/kokkos/example/multi_fem/Explicit.hpp
index 723cab861adb74b6c0d318bac457421530ed650d..d3a7f159c0894a3dd8a28fff1fb847037864e5d7 100644
--- a/lib/kokkos/example/multi_fem/Explicit.hpp
+++ b/lib/kokkos/example/multi_fem/Explicit.hpp
@@ -230,7 +230,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                  mesh.parallel_data_map.count_owned ,
                  mesh.parallel_data_map.count_receive );
 
-      execution_space::fence();
+      execution_space().fence();
     }
 #endif
 
@@ -261,7 +261,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                                                    user_dt ,
                                                    current_state );
 
-    execution_space::fence();
+    execution_space().fence();
 
     perf_data.internal_force_time +=
       comm::max( machine , wall_clock.seconds() );
@@ -276,7 +276,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                                                x_bc ,
                                                current_state,
                                                next_state );
-    execution_space::fence();
+    execution_space().fence();
 
     perf_data.central_diff +=
       comm::max( machine , wall_clock.seconds() );
diff --git a/lib/kokkos/example/multi_fem/ExplicitFunctors.hpp b/lib/kokkos/example/multi_fem/ExplicitFunctors.hpp
index 43d21c6022d516ced0b0b2ce3c809e7be7eb1b60..764dca38dcff02b91282e262a6f6de24297270ca 100644
--- a/lib/kokkos/example/multi_fem/ExplicitFunctors.hpp
+++ b/lib/kokkos/example/multi_fem/ExplicitFunctors.hpp
@@ -526,7 +526,7 @@ struct grad
     const int X = 0 ;
     const int Y = 1 ;
     const int Z = 2 ;
-    const Scalar dt_scale = -0.5 * *dt;
+    const Scalar dt_scale = -0.5 * dt();
 
     //  declare and reuse local data for frequently accessed data to
     //  reduce global memory reads and writes.
@@ -674,7 +674,7 @@ struct decomp_rotate
   KOKKOS_INLINE_FUNCTION
   void polar_decomp(int ielem, Scalar * v_gr, Scalar * str_ten, Scalar * str, Scalar * vort, Scalar * rot_old, Scalar * rot_new)const
   {
-    const Scalar dt = *dt_value;
+    const Scalar dt = dt_value();
     const Scalar dt_half = 0.5 * dt;
 
     //  Skew Symmetric part
@@ -958,8 +958,8 @@ struct internal_force
   KOKKOS_INLINE_FUNCTION
   void final( value_type & result ) const
   {
-    *prev_dt = *dt ;
-    *dt = result ;
+    prev_dt() = dt() ;
+    dt() = result ;
   };
 
   //--------------------------------------------------------------------------
@@ -1121,13 +1121,13 @@ struct internal_force
 
       const Scalar e = (rot_stretch(ielem,kxx)+rot_stretch(ielem,kyy)+rot_stretch(ielem,kzz))/3.0;
 
-      s_n[kxx] = stress_new(ielem,kxx) += *dt * (two_mu * (rot_stretch(ielem,kxx)-e)+3*bulk_modulus*e);
-      s_n[kyy] = stress_new(ielem,kyy) += *dt * (two_mu * (rot_stretch(ielem,kyy)-e)+3*bulk_modulus*e);
-      s_n[kzz] = stress_new(ielem,kzz) += *dt * (two_mu * (rot_stretch(ielem,kzz)-e)+3*bulk_modulus*e);
+      s_n[kxx] = stress_new(ielem,kxx) += dt() * (two_mu * (rot_stretch(ielem,kxx)-e)+3*bulk_modulus*e);
+      s_n[kyy] = stress_new(ielem,kyy) += dt() * (two_mu * (rot_stretch(ielem,kyy)-e)+3*bulk_modulus*e);
+      s_n[kzz] = stress_new(ielem,kzz) += dt() * (two_mu * (rot_stretch(ielem,kzz)-e)+3*bulk_modulus*e);
 
-      s_n[kxy] = stress_new(ielem,kxy) += *dt * two_mu * rot_stretch(ielem,kxy);
-      s_n[kyz] = stress_new(ielem,kyz) += *dt * two_mu * rot_stretch(ielem,kyz);
-      s_n[kzx] = stress_new(ielem,kzx) += *dt * two_mu * rot_stretch(ielem,kzx);
+      s_n[kxy] = stress_new(ielem,kxy) += dt() * two_mu * rot_stretch(ielem,kxy);
+      s_n[kyz] = stress_new(ielem,kyz) += dt() * two_mu * rot_stretch(ielem,kyz);
+      s_n[kzx] = stress_new(ielem,kzx) += dt() * two_mu * rot_stretch(ielem,kzx);
     }
 
   //----------------------------------------------------------------------------
@@ -1325,8 +1325,8 @@ struct nodal_step
 
       // Central difference time integration:
 
-      const Scalar dt_disp = *dt ;
-      const Scalar dt_vel = ( *dt + *prev_dt ) / 2.0 ;
+      const Scalar dt_disp = dt() ;
+      const Scalar dt_vel = ( dt() + prev_dt() ) / 2.0 ;
 
       velocity(inode,0,next_state) = v_new[0] =
         velocity(inode,0,current_state) + dt_vel * a_current[0];
diff --git a/lib/kokkos/example/multi_fem/Implicit.hpp b/lib/kokkos/example/multi_fem/Implicit.hpp
index bc8659942e2f969f4a63c9a2b718ba1aea984ca4..f129c595469e6b7423578ce5d70c500cff52a10a 100644
--- a/lib/kokkos/example/multi_fem/Implicit.hpp
+++ b/lib/kokkos/example/multi_fem/Implicit.hpp
@@ -161,7 +161,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
 
   graph_factory::create( mesh , linsys_matrix.graph , element_map );
 
-  execution_space::fence();
+  execution_space().fence();
   perf_data.graph_time = comm::max( machine , wall_clock.seconds() );
 
   //------------------------------------
@@ -196,7 +196,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                            elem_matrices , elem_vectors ,
                            elem_coeff_K , elem_load_Q );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.elem_time = comm::max( machine , wall_clock.seconds() );
 
     //------------------------------------
@@ -207,7 +207,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
     GatherFillFunctor::apply( linsys_matrix , linsys_rhs ,
                mesh , element_map , elem_matrices , elem_vectors );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.matrix_gather_fill_time = comm::max( machine , wall_clock.seconds() );
 
     // Apply boundary conditions:
@@ -217,7 +217,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
     BoundaryFunctor::apply( linsys_matrix , linsys_rhs , mesh ,
                             0 , global_max_z , 0 , global_max_z );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.matrix_boundary_condition_time = comm::max( machine , wall_clock.seconds() );
   }
 
diff --git a/lib/kokkos/example/multi_fem/LinAlgBLAS.hpp b/lib/kokkos/example/multi_fem/LinAlgBLAS.hpp
index fa03e200800fdf3eceb5147aab55d6a1d5b8a17b..5e2292b32af4ba8ea35f5e9c51b431f1c2a6a974 100644
--- a/lib/kokkos/example/multi_fem/LinAlgBLAS.hpp
+++ b/lib/kokkos/example/multi_fem/LinAlgBLAS.hpp
@@ -103,17 +103,17 @@ namespace Kokkos {
 
 template< typename ScalarX /* Allow mix of const and non-const */ ,
           typename ScalarY /* Allow mix of const and non-const */ ,
-          class L , class D ,
-          class MX /* Allow any management type */ ,
-          class MY /* Allow any management type */ >
+          class D>
 inline
 double dot( const size_t n ,
-            const View< ScalarX * , L , D , MX > & x ,
-            const View< ScalarY * , L , D , MY > & y ,
+            const View< ScalarX * , D > & x ,
+            const View< ScalarY * , D > & y ,
             comm::Machine machine )
 {
   double global_result = 0 ;
   double local_result = 0 ;
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
 
   Impl::Dot< ScalarX , L , D >( n , x , y , local_result );
 
@@ -127,16 +127,16 @@ double dot( const size_t n ,
 
 template< typename ScalarX /* Allow mix of const and non-const */ ,
           typename ScalarY /* Allow mix of const and non-const */ ,
-          class L , class D ,
-          class MX /* Allow any management type */ ,
-          class MY /* Allow any management type */ >
+          class D >
 inline
 double dot( const size_t n ,
-            const View< ScalarX * , L , D , MX > & x ,
-            const View< ScalarY * , L , D , MY > & y ,
+            const View< ScalarX * , D > & x ,
+            const View< ScalarY * , D > & y ,
             comm::Machine )
 {
   double global_result = 0 ;
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
 
   Impl::Dot< ScalarX , L , D >( n , x , y , global_result );
 
@@ -171,14 +171,15 @@ double dot( const size_t n ,
 #else
 
 template< typename ScalarX /* Allow mix of const and non-const */ ,
-          class L , class D ,
-          class MX /* Allow any management type */ >
+          class D>
 inline
 double dot( const size_t n ,
-            const View< ScalarX * , L , D , MX > & x ,
+            const View< ScalarX * , D> & x ,
             comm::Machine )
 {
   double global_result = 0 ;
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
 
   Impl::Dot1< ScalarX , L , D >( n , x , global_result );
 
@@ -190,11 +191,10 @@ double dot( const size_t n ,
 //----------------------------------------------------------------------------
 
 template< typename ScalarX /* Allow mix of const and non-const */ ,
-          class L , class D ,
-          class MX /* Allow any management type */ >
+          class D >
 inline
 double norm2( const size_t n ,
-              const View< ScalarX * , L , D , MX > & x ,
+              const View< ScalarX * , D > & x ,
               comm::Machine machine )
 {
   return std::sqrt( dot( n , x , machine ) );
@@ -216,13 +216,13 @@ void scale( const size_t n ,
 
 template< typename ScalarA ,
           typename ScalarX ,
-          class L ,
-          class D ,
-          class MX >
+          class D >
 void fill( const size_t n ,
            const ScalarA & alpha ,
-           const View< ScalarX * , L , D , MX > & x )
+           const View< ScalarX * , D > & x )
 {
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
   Impl::Fill< ScalarA , ScalarX , L , D >( n , alpha , x );
 }
 
@@ -231,15 +231,14 @@ void fill( const size_t n ,
 template< typename ScalarA ,
           typename ScalarX ,
           typename ScalarY ,
-          class L ,
-          class D ,
-          class MX ,
-          class MY >
+          class D >
 void axpy( const size_t n ,
            const ScalarA & alpha ,
-           const View< ScalarX *, L , D , MX > & x ,
-           const View< ScalarY *, L , D , MY > & y )
+           const View< ScalarX *, D > & x ,
+           const View< ScalarY *, D > & y )
 {
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
   Impl::AXPY< ScalarA, ScalarX, ScalarY , L , D >( n, alpha, x, y );
 }
 
@@ -248,15 +247,14 @@ void axpy( const size_t n ,
 template< typename ScalarX ,
           typename ScalarB ,
           typename ScalarY ,
-          class L ,
-          class D ,
-          class MX ,
-          class MY >
+          class D >
 void xpby( const size_t n ,
-           const View< ScalarX *, L , D , MX > & x ,
+           const View< ScalarX *, D > & x ,
            const ScalarB & beta ,
-           const View< ScalarY *, L , D , MY > & y )
+           const View< ScalarY *, D > & y )
 {
+  using x_type = View<ScalarX*, D>;
+  using L = typename x_type::array_layout;
   Impl::XPBY< ScalarX, ScalarB, ScalarY , L , D >( n, x, beta, y );
 }
 
@@ -268,15 +266,17 @@ template< typename ScalarA ,
           typename ScalarB ,
           typename ScalarY ,
           typename ScalarW ,
-          class L , class D ,
-          class MX , class MY , class MW >
+          class D
+          >
 void waxpby( const size_t n ,
              const ScalarA & alpha ,
-             const View< ScalarX * , L , D , MX > & x ,
+             const View< ScalarX * , D > & x ,
              const ScalarB & beta ,
-             const View< ScalarY * , L , D , MY > & y ,
-             const View< ScalarW * , L , D , MW > & w )
+             const View< ScalarY * , D > & y ,
+             const View< ScalarW * , D > & w )
 {
+  using x_type = typename std::decay<decltype(x)>::type;
+  using L = typename x_type::array_layout;
   Impl::WAXPBY<ScalarA,ScalarX,ScalarB,ScalarY,ScalarW,L,D>
     ( n , alpha , x , beta , y , w );
 }
diff --git a/lib/kokkos/example/multi_fem/Nonlinear.hpp b/lib/kokkos/example/multi_fem/Nonlinear.hpp
index 7e91529e1c53b92e912a0a6597aa784952ecd8ba..b9585c75825a626a75a5edcb92e3f99353907fd1 100644
--- a/lib/kokkos/example/multi_fem/Nonlinear.hpp
+++ b/lib/kokkos/example/multi_fem/Nonlinear.hpp
@@ -252,7 +252,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
 
   graph_factory::create( mesh , jacobian.graph , element_map );
 
-  execution_space::fence();
+  execution_space().fence();
 
   perf_data.graph_time = comm::max( machine , wall_clock.seconds() );
 
@@ -338,7 +338,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                     nodal_solution ,
                     exact_solution.K );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.elem_time += comm::max( machine , wall_clock.seconds() );
 
     //------------------------------------
@@ -356,7 +356,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                               elem_matrices ,
                               elem_vectors );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.matrix_gather_fill_time += comm::max( machine , wall_clock.seconds() );
 
     // Apply boundary conditions:
@@ -369,7 +369,7 @@ PerformanceData run( const typename FixtureType::FEMeshType & mesh ,
                                      exact_solution.zmin ,
                                      exact_solution.zmax );
 
-    execution_space::fence();
+    execution_space().fence();
     perf_data.matrix_boundary_condition_time +=
       comm::max( machine , wall_clock.seconds() );
 
diff --git a/lib/kokkos/example/multi_fem/TestCuda.cpp b/lib/kokkos/example/multi_fem/TestCuda.cpp
index 4b6b739050a2394c84577f52967413c69595b7ca..d0e53283f36a3f85ed2721bc4d5d33c9fc668649 100644
--- a/lib/kokkos/example/multi_fem/TestCuda.cpp
+++ b/lib/kokkos/example/multi_fem/TestCuda.cpp
@@ -86,12 +86,12 @@ void test_cuda_fixture( comm::Machine machine ,
     dev_count && dev_count <= comm_size ? comm_rank % dev_count : 0 ;
   const size_t gang_count = 0 ;
 
-  Kokkos::HostSpace::execution_space::initialize();
-  Kokkos::Cuda::SelectDevice select_device( dev_rank );
-  Kokkos::Cuda::initialize( select_device );
+  Kokkos::InitArguments args;
+  args.device_id = dev_rank;
+  Kokkos::initialize(args);
+
   test_box_fixture<Kokkos::Cuda>( machine , gang_count , nx , ny , nz );
-  Kokkos::Cuda::finalize();
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -108,12 +108,11 @@ void test_cuda_implicit( comm::Machine machine ,
     dev_count && dev_count <= comm_size ? comm_rank % dev_count : 0 ;
   const size_t gang_count = 0 ;
 
-  Kokkos::HostSpace::execution_space::initialize();
-  Kokkos::Cuda::SelectDevice select_device( dev_rank );
-  Kokkos::Cuda::initialize( select_device );
+  Kokkos::InitArguments args;
+  args.device_id = dev_rank;
+  Kokkos::initialize(args);
   HybridFEM::Implicit::driver<double,Kokkos::Cuda>( "Cuda" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::Cuda::finalize();
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -130,12 +129,11 @@ void test_cuda_explicit( comm::Machine machine ,
     dev_count && dev_count <= comm_size ? comm_rank % dev_count : 0 ;
   const size_t gang_count = 0 ;
 
-  Kokkos::HostSpace::execution_space::initialize();
-  Kokkos::Cuda::SelectDevice select_device( dev_rank );
-  Kokkos::Cuda::initialize( select_device );
+  Kokkos::InitArguments args;
+  args.device_id = dev_rank;
+  Kokkos::initialize(args);
   Explicit::driver<double,Kokkos::Cuda>( "Cuda" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::Cuda::finalize();
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -152,15 +150,14 @@ void test_cuda_nonlinear( comm::Machine machine ,
     dev_count && dev_count <= comm_size ? comm_rank % dev_count : 0 ;
   const size_t gang_count = 0 ;
 
-  Kokkos::HostSpace::execution_space::initialize();
-  Kokkos::Cuda::SelectDevice select_device( dev_rank );
-  Kokkos::Cuda::initialize( select_device );
+  Kokkos::InitArguments args;
+  args.device_id = dev_rank;
+  Kokkos::initialize(args);
 
   typedef Kokkos::Cuda device ;
   typedef FixtureElementHex8 hex8 ;
   HybridFEM::Nonlinear::driver<double,device,hex8>( "Cuda" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::Cuda::finalize();
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 void test_cuda_nonlinear_quadratic( comm::Machine machine , 
@@ -175,15 +172,14 @@ void test_cuda_nonlinear_quadratic( comm::Machine machine ,
     dev_count && dev_count <= comm_size ? comm_rank % dev_count : 0 ;
   const size_t gang_count = 0 ;
 
-  Kokkos::HostSpace::execution_space::initialize();
-  Kokkos::Cuda::SelectDevice select_device( dev_rank );
-  Kokkos::Cuda::initialize( select_device );
+  Kokkos::InitArguments args;
+  args.device_id = dev_rank;
+  Kokkos::initialize(args);
 
   typedef Kokkos::Cuda device ;
   typedef FixtureElementHex27 hex27 ;
   HybridFEM::Nonlinear::driver<double,device,hex27>( "Cuda" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::Cuda::finalize();
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/example/multi_fem/TestHost.cpp b/lib/kokkos/example/multi_fem/TestHost.cpp
index d12ac837ca79b29e09f7fbb4d2ff3b1c70de9a80..f0f0844812df1fabd32f27df26c67c315a957ee4 100644
--- a/lib/kokkos/example/multi_fem/TestHost.cpp
+++ b/lib/kokkos/example/multi_fem/TestHost.cpp
@@ -68,9 +68,10 @@ void test_host_fixture( comm::Machine machine ,
                         size_t gang_worker_count ,
                         size_t nx , size_t ny , size_t nz )
 {
-  Kokkos::HostSpace::execution_space::initialize( gang_count * gang_worker_count );
+  Kokkos::InitArguments args(gang_count * gang_worker_count);
+  Kokkos::initialize( args );
   test_box_fixture<Kokkos::HostSpace::execution_space>( machine , gang_count , nx , ny , nz );
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -82,9 +83,10 @@ void test_host_implicit( comm::Machine machine ,
                          size_t elem_count_end ,
                          size_t count_run )
 {
-  Kokkos::HostSpace::execution_space::initialize( gang_count * gang_worker_count );
+  Kokkos::InitArguments args(gang_count * gang_worker_count);
+  Kokkos::initialize( args );
   HybridFEM::Implicit::driver<double,Kokkos::HostSpace::execution_space>( "Threads" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -96,9 +98,10 @@ void test_host_explicit( comm::Machine machine ,
                          size_t elem_count_end ,
                          size_t count_run )
 {
-  Kokkos::HostSpace::execution_space::initialize( gang_count * gang_worker_count );
+  Kokkos::InitArguments args(gang_count * gang_worker_count);
+  Kokkos::initialize( args );
   Explicit::driver<double,Kokkos::HostSpace::execution_space>( "Threads" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
@@ -111,11 +114,12 @@ void test_host_nonlinear( comm::Machine machine ,
                           size_t elem_count_end ,
                           size_t count_run )
 {
-  Kokkos::HostSpace::execution_space::initialize( gang_count * gang_worker_count );
+  Kokkos::InitArguments args(gang_count * gang_worker_count);
+  Kokkos::initialize( args );
   typedef FixtureElementHex8 hex8 ;
   typedef Kokkos::HostSpace::execution_space             device ;
   HybridFEM::Nonlinear::driver<double,device,hex8>( "Threads" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 void test_host_nonlinear_quadratic( comm::Machine machine ,
@@ -125,11 +129,12 @@ void test_host_nonlinear_quadratic( comm::Machine machine ,
                                     size_t elem_count_end ,
                                     size_t count_run )
 {
-  Kokkos::HostSpace::execution_space::initialize( gang_count * gang_worker_count );
+  Kokkos::InitArguments args(gang_count * gang_worker_count);
+  Kokkos::initialize( args );
   typedef FixtureElementHex27 hex27 ;
   typedef Kokkos::HostSpace::execution_space              device ;
   HybridFEM::Nonlinear::driver<double,device,hex27>( "Threads" , machine , gang_count , elem_count_begin , elem_count_end , count_run );
-  Kokkos::HostSpace::execution_space::finalize();
+  Kokkos::finalize();
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/example/tutorial/Advanced_Views/03_subviews/subviews.cpp b/lib/kokkos/example/tutorial/Advanced_Views/03_subviews/subviews.cpp
index 0d1e428e2449a88aa2f7759b647d9a246ab60fb9..d2472a1910c68ac098027dd97737b527b878636d 100644
--- a/lib/kokkos/example/tutorial/Advanced_Views/03_subviews/subviews.cpp
+++ b/lib/kokkos/example/tutorial/Advanced_Views/03_subviews/subviews.cpp
@@ -185,6 +185,7 @@ int main (int narg, char* arg[]) {
     // This simulates one timestep with dt = 0.1.
     parallel_for (Ai.extent(0), update<mesh_type> (A, 0.1));
 
+    Kokkos::fence();
     printf ("Done\n");
   }
   Kokkos::finalize ();
diff --git a/lib/kokkos/example/tutorial/Advanced_Views/07_Overlapping_DeepCopy/overlapping_deepcopy.cpp b/lib/kokkos/example/tutorial/Advanced_Views/07_Overlapping_DeepCopy/overlapping_deepcopy.cpp
index ad1503642bf348a8447dd6320e56ea26b11ed016..e115dcbabd7a0836568a574d5813ac5d9f2eb590 100644
--- a/lib/kokkos/example/tutorial/Advanced_Views/07_Overlapping_DeepCopy/overlapping_deepcopy.cpp
+++ b/lib/kokkos/example/tutorial/Advanced_Views/07_Overlapping_DeepCopy/overlapping_deepcopy.cpp
@@ -129,7 +129,7 @@ int main(int argc, char * argv[]) {
     h_a(i) = 0.0;
   });
   Kokkos::parallel_for(Kokkos::RangePolicy<Kokkos::OpenMP>(0,size),ComputeAHost(h_a,h_b));
-  Kokkos::OpenMP::fence();
+  Kokkos::OpenMP().fence();
   if(synch==1)
     Kokkos::deep_copy(Kokkos::OpenMP(), d_tmp,h_a);
   if(synch==2)
diff --git a/lib/kokkos/generate_makefile.bash b/lib/kokkos/generate_makefile.bash
index f3c4f16238c9c9efbbead7cc8f1ae8525922ca11..d401998a7de63203463a039f3149314297e6b8f4 100755
--- a/lib/kokkos/generate_makefile.bash
+++ b/lib/kokkos/generate_makefile.bash
@@ -15,12 +15,15 @@ do
     --qthreads-path*)
       QTHREADS_PATH="${key#*=}"
       ;;
+    --hpx-path*)
+      HPX_PATH="${key#*=}"
+      ;;
     --prefix*)
       PREFIX="${key#*=}"
       ;;
     --with-cuda)
       KOKKOS_DEVICES="${KOKKOS_DEVICES},Cuda"
-      CUDA_PATH_NVCC=`which nvcc`
+      CUDA_PATH_NVCC=$(command -v nvcc)
       CUDA_PATH=${CUDA_PATH_NVCC%/bin/nvcc}
       ;;
     # Catch this before '--with-cuda*'
@@ -49,6 +52,15 @@ do
         QTHREADS_PATH="${key#*=}"
       fi
       ;;
+    --with-hpx-options*)
+      KOKKOS_HPX_OPT="${key#*=}"
+      ;;
+    --with-hpx*)
+      KOKKOS_DEVICES="${KOKKOS_DEVICES},HPX"
+      if [ -z "$HPX_PATH" ]; then
+        HPX_PATH="${key#*=}"
+      fi
+      ;;
     --with-devices*)
       DEVICES="${key#*=}"
       KOKKOS_DEVICES="${KOKKOS_DEVICES},${DEVICES}"
@@ -86,7 +98,7 @@ do
       ;;
     --compiler*)
       COMPILER="${key#*=}"
-      CNUM=`which ${COMPILER} 2>&1 >/dev/null | grep "no ${COMPILER}" | wc -l`
+      CNUM=$(command -v ${COMPILER} 2>&1 >/dev/null | grep "no ${COMPILER}" | wc -l)
       if [ ${CNUM} -gt 0 ]; then
         echo "Invalid compiler by --compiler command: '${COMPILER}'"
         exit
@@ -95,15 +107,15 @@ do
         echo "Empty compiler specified by --compiler command."
         exit
       fi
-      CNUM=`which ${COMPILER} | grep ${COMPILER} | wc -l`
+      CNUM=$(command -v ${COMPILER} | grep ${COMPILER} | wc -l)
       if [ ${CNUM} -eq 0 ]; then
         echo "Invalid compiler by --compiler command: '${COMPILER}'"
         exit
       fi
       # ... valid compiler, ensure absolute path set 
-      WCOMPATH=`which $COMPILER`
-      COMPDIR=`dirname $WCOMPATH`
-      COMPNAME=`basename $WCOMPATH`
+      WCOMPATH=$(command -v $COMPILER)
+      COMPDIR=$(dirname $WCOMPATH)
+      COMPNAME=$(basename $WCOMPATH)
       COMPILER=${COMPDIR}/${COMPNAME}
       ;;
     --with-options*)
@@ -186,6 +198,8 @@ do
       echo "                                "
       echo "--with-cuda-options=[OPT]:    Additional options to CUDA:"
       echo "                                force_uvm, use_ldg, enable_lambda, rdc"
+      echo "--with-hpx-options=[OPT]:     Additional options to HPX:"
+      echo "                                enable_async_dispatch"
       echo "--gcc-toolchain=/Path/To/GccRoot:  Set the gcc toolchain to use with clang (e.g. /usr)" 
       echo "--make-j=[NUM]:               DEPRECATED: call make with appropriate"
       echo "                                -j flag"
@@ -282,6 +296,10 @@ if [ ${#QTHREADS_PATH} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} QTHREADS_PATH=${QTHREADS_PATH}"
 fi
 
+if [ ${#HPX_PATH} -gt 0 ]; then
+    KOKKOS_SETTINGS="${KOKKOS_SETTINGS} HPX_PATH=${HPX_PATH}"
+fi
+
 if [ ${#KOKKOS_OPT} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_OPTIONS=${KOKKOS_OPT}"
 fi
@@ -290,6 +308,10 @@ if [ ${#KOKKOS_CUDA_OPT} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_CUDA_OPTIONS=${KOKKOS_CUDA_OPT}"
 fi
 
+if [ ${#KOKKOS_HPX_OPT} -gt 0 ]; then
+    KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_HPX_OPTIONS=${KOKKOS_HPX_OPT}"
+fi
+
 if [ ${#KOKKOS_GCC_TOOLCHAIN} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_INTERNAL_GCC_TOOLCHAIN=${KOKKOS_GCC_TOOLCHAIN}"
 fi
@@ -485,6 +507,7 @@ echo -e "\t\$(MAKE) -C containers/unit_tests" >> Makefile
 echo -e "\t\$(MAKE) -C containers/performance_tests" >> Makefile
 echo -e "\t\$(MAKE) -C algorithms/unit_tests" >> Makefile
 if [ ${KOKKOS_DO_EXAMPLES} -gt 0 ]; then
+$()
 echo -e "\t\$(MAKE) -C example/fixture" >> Makefile
 echo -e "\t\$(MAKE) -C example/feint" >> Makefile
 echo -e "\t\$(MAKE) -C example/fenl" >> Makefile
diff --git a/lib/kokkos/master_history.txt b/lib/kokkos/master_history.txt
index 777f080c498fce8e8fbb9144eeb3c9e73952e905..3ec4306a9fe841b4751a1c35bb19fc3baf6a460e 100644
--- a/lib/kokkos/master_history.txt
+++ b/lib/kokkos/master_history.txt
@@ -16,3 +16,4 @@ tag:  2.6.00     date: 03:07:2018    master: 62e760fa    develop: d1ba7d71
 tag:  2.7.00     date: 05:24:2018    master: e01945d0    develop: 2d13f608
 tag:  2.7.24     date: 11:04:2018    master: d3a94192    develop: 7a06fc81
 tag:  2.8.00     date: 02:05:2019    master: 34931a36    develop: d1659d1d
+tag:  2.9.00     date: 06:24:2019    master: 5d6e7fb3    develop: 4c6cb80a
diff --git a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files
deleted file mode 100755
index 554034ed21ebff1c6dd83b62affe13a23cc04600..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files
+++ /dev/null
@@ -1,12 +0,0 @@
-SCRIPT_PATH="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
-mkdir -p eti
-cd eti
-mkdir -p common 
-rm common/*
-
-${SCRIPT_PATH}/generate_view_copy_cpp_files_iterate Serial Serial
-${SCRIPT_PATH}/generate_view_copy_cpp_files_iterate OpenMP OpenMP
-${SCRIPT_PATH}/generate_view_copy_cpp_files_iterate Threads Threads
-${SCRIPT_PATH}/generate_view_copy_cpp_files_iterate Cuda Cuda
-${SCRIPT_PATH}/generate_view_copy_cpp_files_iterate "Experimental::ROCm" ROCm
-
diff --git a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_iterate b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_iterate
deleted file mode 100755
index 036f8f2cd16e2a4ddea9ecaec1994abe077a7e33..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_iterate
+++ /dev/null
@@ -1,21 +0,0 @@
-SCRIPT_PATH="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
-EXECUTION_SPACE=$1
-EXECUTION_SPACE_DIR=$2
-
-rm common/*
-mkdir -p ${EXECUTION_SPACE_DIR}
-rm ${EXECUTION_SPACE_DIR}/*
-
-SCALAR_TYPES="int int64_t float double"
-INDEX_TYPES="int int64_t"
-LAYOUT_TYPES="LayoutLeft LayoutRight LayoutStride"
-
-for scalar in ${SCALAR_TYPES}; do
-for index in ${INDEX_TYPES}; do
-for layout in ${LAYOUT_TYPES}; do
-  echo "Generate: " ${scalar} ${index} ${layout}
-  ${SCRIPT_PATH}/generate_view_copy_cpp_files_rank ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${scalar} ${index} ${layout}
-done
-done
-done
-
diff --git a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_rank b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_rank
deleted file mode 100755
index 5ac20232a270795fae5f4b770c56874a27b5dd03..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_rank
+++ /dev/null
@@ -1,17 +0,0 @@
-SCRIPT_PATH="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
-EXECUTION_SPACE=$1
-EXECUTION_SPACE_DIR=$2
-SCALAR_TYPE=$3
-INDEX_TYPE=$4
-LAYOUT_TYPE=$5
-
-#Geberate Rank 1 - 8 specialisations
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 1 "*"
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 2 "**"
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 3 "***"
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 4 "****"
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 5 "*****"
-#${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 6 "******"
-#${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 7 "*******"
-${SCRIPT_PATH}/generate_view_copy_cpp_files_write ${EXECUTION_SPACE} ${EXECUTION_SPACE_DIR} ${SCALAR_TYPE} ${INDEX_TYPE} ${LAYOUT_TYPE} 8 "********"
-
diff --git a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write
deleted file mode 100755
index 45208e76b05733a68d3527ad484ca9f954c532fc..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write
+++ /dev/null
@@ -1,41 +0,0 @@
-SCRIPT_PATH="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
-
-EXECUTION_SPACE=$1
-EXECUTION_SPACE_DIR=$2
-SCALAR_TYPE=$3
-INDEX_TYPE=$4
-LAYOUT_TYPE=$5
-RANK=$6
-RANK_STARS=$7
-
-
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutRight, KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIAvail_Macros.hpp
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutLeft,  KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIAvail_Macros.hpp
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutStride,KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIAvail_Macros.hpp
-echo "KOKKOS_IMPL_VIEWFILL_ETI_AVAIL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE}, KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIAvail_Macros.hpp
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutRight, KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIDecl_Macros.hpp
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutLeft,  KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIDecl_Macros.hpp
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutStride,KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIDecl_Macros.hpp
-echo "KOKKOS_IMPL_VIEWFILL_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIDecl_Macros.hpp
-
-
-FileName=${EXECUTION_SPACE_DIR}/Kokkos_${EXECUTION_SPACE_DIR}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.cpp
-ObjectName=Kokkos_${EXECUTION_SPACE_DIR}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.o
-
-cp ${SCRIPT_PATH}/../../LICENSE ${FileName}
-
-echo "" >> ${FileName}
-echo "#define KOKKOS_IMPL_COMPILING_LIBRARY true" >> ${FileName}
-echo "#include<Kokkos_Core.hpp>" >> ${FileName}
-echo "namespace Kokkos {" >> ${FileName}
-echo "namespace Impl {" >> ${FileName}
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_INST(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutRight, ${EXECUTION_SPACE},${INDEX_TYPE})" >> ${FileName}
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_INST(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutLeft,  ${EXECUTION_SPACE},${INDEX_TYPE})" >> ${FileName}
-echo "KOKKOS_IMPL_VIEWCOPY_ETI_INST(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},LayoutStride,${EXECUTION_SPACE},${INDEX_TYPE})" >> ${FileName}
-echo "KOKKOS_IMPL_VIEWFILL_ETI_INST(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},${EXECUTION_SPACE},${INDEX_TYPE})" >> ${FileName}
-echo "" >> ${FileName}
-echo "}" >> ${FileName}
-echo "}" >> ${FileName}
-
-echo "${ObjectName}: \$(KOKKOS_CPP_DEPENDS) \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE_DIR}
-echo -e "\t\$(CXX) \$(KOKKOS_CPPFLAGS) \$(KOKKOS_CXXFLAGS) \$(CXXFLAGS) -c \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE_DIR}
diff --git a/lib/kokkos/scripts/snapshot.py b/lib/kokkos/scripts/snapshot.py
deleted file mode 100755
index bfa97bf48a2909fe5395d2cea08b6eb6336d6ee3..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/snapshot.py
+++ /dev/null
@@ -1,291 +0,0 @@
-#! /usr/bin/env python
-
-"""
-Snapshot a project into another project and perform the necessary repo actions
-to provide a commit message that can be used to trace back to the exact point
-in the source repository.
-"""
-
-#todo:
-#  Support svn
-#  Allow renaming of the source dir in the destination path
-#  Check if a new snapshot is necessary?
-#
-
-import sys
-
-#check the version number so that there is a good error message when argparse is not available.
-#This checks for exactly 2.7 which is bad, but it is a python 2 script and argparse was introduced
-#in 2.7 which is also the last version of python 2. If this script is updated for python 3 this
-#will need to change, but for now it is not safe to allow 3.x to run this.
-if sys.version_info[:2] != (2, 7):
-  print "Error snapshot requires python 2.7 detected version is %d.%d." % (sys.version_info[0], sys.version_info[1])
-  sys.exit(1)
-
-import subprocess, argparse, re, doctest, os, datetime, traceback
-
-def parse_cmdline(description):
-  parser = argparse.ArgumentParser(usage="snapshot.py [options] source destination", description=description)
-
-  parser.add_argument("-n", "--no-commit", action="store_false", dest="create_commit", default=True,
-                      help="Do not perform a commit or create a commit message.")
-  parser.add_argument("-v", "--verbose", action="store_true", dest="verbose_mode", default=False,
-                      help="Enable verbose mode.")
-  parser.add_argument("-d", "--debug", action="store_true", dest="debug_mode", default=False,
-                      help="Enable debugging output.")
-  parser.add_argument("--no-validate-repo", action="store_true", dest="no_validate_repo", default=False,
-                      help="Reduce the validation that the source and destination repos are clean to a warning.")
-  parser.add_argument("--source-repo", choices=["git","none"], default="",
-                      help="Type of repository of the source, use none to skip all repository operations.")
-  parser.add_argument("--dest-repo", choices=["git","none"], default="",
-                      help="Type of repository of the destination, use none to skip all repository operations.")
-  parser.add_argument("--small", action="store_true", dest="small_mode",
-                      help="Don't include tests and other extra files when copying.")
-
-  parser.add_argument("source",      help="Source project to snapshot from.")
-  parser.add_argument("destination", help="Destination to snapshot too.")
-
-  options = parser.parse_args()
-  options = validate_options(options)
-  return options
-#end parseCmdline
-
-def validate_options(options):
-  apparent_source_repo_type="none"
-  apparent_dest_repo_type="none"
-
-  #prevent user from accidentally giving us a path that rsync will treat differently than expected.
-  options.source      = options.source.rstrip(os.sep)
-  options.destination = options.destination.rstrip(os.sep)
-
-  options.source      = os.path.abspath(options.source)
-  options.destination = os.path.abspath(options.destination)
-
-  if os.path.exists(options.source):
-    apparent_source_repo_type, source_root = determine_repo_type(options.source)
-  else:
-    raise RuntimeError("Could not find source directory of %s." % options.source)
-  options.source_root = source_root
-
-  if not os.path.exists(options.destination):
-    print "Could not find destination directory of %s so it will be created." % options.destination
-    os.makedirs(options.destination)
-
-  apparent_dest_repo_type, dest_root = determine_repo_type(options.destination)
-  options.dest_root = dest_root
-
-  #error on svn repo types for now
-  if apparent_source_repo_type == "svn" or apparent_dest_repo_type == "svn":
-    raise RuntimeError("SVN repositories are not supported at this time.")
-
-  if options.source_repo == "":
-    #source repo type is not specified to just using the apparent type.
-    options.source_repo = apparent_source_repo_type
-  else:
-    if options.source_repo != "none" and options.source_repo != apparent_source_repo_type:
-      raise RuntimeError("Specified source repository type of %s conflicts with determined type of %s" % \
-        (options.source_repo, apparent_source_repo_type))
-
-  if options.dest_repo == "":
-    #destination repo type is not specified to just using the apparent type.
-    options.dest_repo = apparent_dest_repo_type
-  else:
-    if options.dest_repo != "none" and options.dest_repo != apparent_dest_repo_type:
-      raise RuntimeError("Specified destination repository type of %s conflicts with determined type of %s" % \
-        (options.dest_repo, apparent_dest_repo_type))
-
-  return options
-#end validate_options
-
-def run_cmd(cmd, options, working_dir="."):
-  cmd_str = " ".join(cmd)
-  if options.verbose_mode:
-    print "Running command '%s' in dir %s." % (cmd_str, working_dir)
-
-  proc = subprocess.Popen(cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE, cwd=working_dir)
-  proc_stdout, proc_stderr = proc.communicate()
-  ret_val = proc.wait()
-
-  if options.debug_mode:
-    print "==== %s stdout start ====" % cmd_str
-    print proc_stdout
-    print "==== %s stdout end ====" % cmd_str
-    print "==== %s stderr ====" % cmd_str
-    print proc_stderr
-    print "==== %s stderr ====" % cmd_str
-
-  if ret_val != 0:
-    raise RuntimeError("Command '%s' failed with error code %d. Error message:%s%s%sstdout:%s" % \
-      (cmd_str, ret_val, os.linesep, proc_stderr, os.linesep, proc_stdout))
-
-  return proc_stdout, proc_stderr
-#end run_cmd
-
-def determine_repo_type(location):
-  apparent_repo_type = "none"
-
-  while location != "":
-    if os.path.exists(os.path.join(location, ".git")):
-      apparent_repo_type = "git"
-      break
-    elif os.path.exists(os.path.join(location, ".svn")):
-      apparent_repo_type = "svn"
-      break
-    else:
-      location = location[:location.rfind(os.sep)]
-
-  return apparent_repo_type, location
-#end determine_repo_type
-
-def rsync(source, dest, options):
-  rsync_cmd = ["rsync", "-ar", "--delete"]
-  if options.debug_mode:
-    rsync_cmd.append("-v")
-
-  if options.small_mode or options.source_repo == "git":
-    rsync_cmd.append("--delete-excluded")
-
-  if options.small_mode:
-    rsync_cmd.append("--include=config/master_history.txt")
-    rsync_cmd.append("--include=cmake/tpls")
-    rsync_cmd.append("--exclude=benchmarks/")
-    rsync_cmd.append("--exclude=config/*")
-    rsync_cmd.append("--exclude=doc/")
-    rsync_cmd.append("--exclude=example/")
-    rsync_cmd.append("--exclude=tpls/")
-    rsync_cmd.append("--exclude=HOW_TO_SNAPSHOT")
-    rsync_cmd.append("--exclude=unit_test")
-    rsync_cmd.append("--exclude=unit_tests")
-    rsync_cmd.append("--exclude=perf_test")
-    rsync_cmd.append("--exclude=performance_tests")
-
-  if options.source_repo == "git":
-    rsync_cmd.append("--exclude=.git*")
-
-  rsync_cmd.append(options.source)
-  rsync_cmd.append(options.destination)
-  run_cmd(rsync_cmd, options)
-#end rsync
-
-def create_commit_message(commit_id, commit_log, project_name, project_location):
-  eol = os.linesep
-  message = "Snapshot of %s from commit %s" % (project_name, commit_id)
-  message += eol * 2
-  message += "From repository at %s" % project_location
-  message += eol * 2
-  message += "At commit:" + eol
-  message += commit_log
-  return message
-#end create_commit_message
-
-def find_git_commit_information(options):
-  r"""
-  >>> class fake_options:
-  ...   source="."
-  ...   verbose_mode=False
-  ...   debug_mode=False
-  >>> myoptions = fake_options()
-  >>> find_git_commit_information(myoptions)[2:]
-  ('sems', 'software.sandia.gov:/git/sems')
-  """
-  git_log_cmd = ["git", "log", "-1"]
-
-  output, error = run_cmd(git_log_cmd, options, options.source)
-
-  commit_match = re.match("commit ([0-9a-fA-F]+)", output)
-  commit_id = commit_match.group(1)
-  commit_log = output
-
-  git_remote_cmd = ["git", "remote", "-v"]
-  output, error = run_cmd(git_remote_cmd, options, options.source)
-
-  remote_match = re.search("origin\s([^ ]*/([^ ]+))", output, re.MULTILINE)
-  if not remote_match:
-    raise RuntimeError("Could not find origin of repo at %s. Consider using none for source repo type." % (options.source))
-
-  source_location = remote_match.group(1)
-  source_name     = remote_match.group(2).strip()
-
-  if source_name[-1] == "/":
-    source_name = source_name[:-1]
-
-  return commit_id, commit_log, source_name, source_location
-#end find_git_commit_information
-
-def do_git_commit(message, options):
-  if options.verbose_mode:
-    print "Commiting to destination repository."
-
-  git_add_cmd = ["git", "add", "-A"]
-  run_cmd(git_add_cmd, options, options.destination)
-
-  git_commit_cmd = ["git", "commit", "-m%s" % message]
-  run_cmd(git_commit_cmd, options, options.destination)
-
-  git_log_cmd = ["git", "log", "--format=%h", "-1"]
-  commit_sha1, error = run_cmd(git_log_cmd, options, options.destination)
-
-  print "Commit %s was made to %s." % (commit_sha1.strip(), options.dest_root)
-#end do_git_commit
-
-def verify_git_repo_clean(location, options):
-  git_status_cmd = ["git", "status", "--porcelain"]
-  output, error = run_cmd(git_status_cmd, options, location)
-
-  if output != "":
-    if options.no_validate_repo == False:
-      raise RuntimeError("%s is not clean.%sPlease commit or stash all changes before running snapshot."
-        % (location, os.linesep))
-    else:
-      print "WARNING: %s is not clean. Proceeding anyway." % location
-      print "WARNING:   This could lead to differences in the source and destination."
-      print "WARNING:   It could also lead to extra files being included in the snapshot commit."
-#end verify_git_repo_clean
-
-def main(options):
-  if options.verbose_mode:
-    print "Snapshotting %s to %s." % (options.source, options.destination)
-
-  if options.source_repo == "git":
-    verify_git_repo_clean(options.source, options)
-    commit_id, commit_log, repo_name, repo_location = find_git_commit_information(options)
-  elif options.source_repo == "none":
-    commit_id     = "N/A"
-    commit_log    = "Unknown commit from %s snapshotted at: %s" % (options.source, datetime.datetime.now())
-    repo_name     = options.source
-    repo_location = options.source
-
-  commit_message = create_commit_message(commit_id, commit_log, repo_name, repo_location) + os.linesep*2
-
-  if options.dest_repo == "git":
-    verify_git_repo_clean(options.destination, options)
-
-  rsync(options.source, options.destination, options)
-
-  if options.dest_repo == "git":
-    do_git_commit(commit_message, options)
-  elif options.dest_repo == "none":
-    file_name = "snapshot_message.txt"
-    message_file = open(file_name, "w")
-    message_file.write(commit_message)
-    message_file.close()
-    cwd = os.getcwd()
-    print "No commit done by request. Please use file at:"
-    print "%s%sif you wish to commit this to a repo later." % (cwd+"/"+file_name, os.linesep)
-#end main
-
-if (__name__ == "__main__"):
-  if ("--test" in sys.argv):
-    doctest.testmod()
-    sys.exit(0)
-
-  try:
-    options = parse_cmdline(__doc__)
-    main(options)
-  except RuntimeError, e:
-    print "Error occured:", e
-    if "--debug" in sys.argv:
-      traceback.print_exc()
-    sys.exit(1)
-  else:
-    sys.exit(0)
diff --git a/lib/kokkos/scripts/testing_scripts/README b/lib/kokkos/scripts/testing_scripts/README
deleted file mode 100644
index 455afffd840514e98686dadcd2c46a774590456c..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/testing_scripts/README
+++ /dev/null
@@ -1,5 +0,0 @@
-jenkins_test_driver is designed to be run through Jenkins as a
-multiconfiguration job. It relies on a number of environment variables that will
-only be set when run in that context. It is possible to override these if you
-know the Jenkins job setup. It is not recommended that a non-expert try to run
-this script directly.
diff --git a/lib/kokkos/scripts/testing_scripts/jenkins_test_driver b/lib/kokkos/scripts/testing_scripts/jenkins_test_driver
deleted file mode 100755
index f393940304ee8e679440871414376283f8eef9a7..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/testing_scripts/jenkins_test_driver
+++ /dev/null
@@ -1,83 +0,0 @@
-#!/bin/bash -x
-
-echo "Building for BUILD_TYPE = ${BUILD_TYPE}"
-echo "Building with HOST_COMPILER = ${HOST_COMPILER}"
-echo "Building in ${WORKSPACE}"
-
-module use /home/projects/modulefiles
-
-BUILD_TYPE=`echo $BUILD_TYPE | tr "~" " "`
-build_options=""
-for item in ${BUILD_TYPE}; do
-  build_options="$build_options --with-$item"
-done
-
-kokkos_path=${WORKSPACE}/kokkos
-gtest_path=${WORKSPACE}/kokkos/tpls/gtest
-
-echo ${WORKSPACE}
-pwd
-
-#extract information from the provided parameters.
-host_compiler_brand=`echo $HOST_COMPILER | grep -o "^[a-zA-Z]*"`
-cuda_compiler=`echo $BUILD_TYPE | grep -o "cuda_[^ ]*"`
-
-host_compiler_module=`echo $HOST_COMPILER | tr "_" "/"`
-cuda_compiler_module=`echo $cuda_compiler | tr "_" "/"`
-build_path=`echo $BUILD_TYPE | tr " " "_"`
-
-module load $host_compiler_module
-module load $cuda_compiler_module
-
-case $host_compiler_brand in
-  gcc)
-    module load nvcc-wrapper/gnu
-    compiler=g++
-    ;;
-  intel)
-    module load nvcc-wrapper/intel
-    compiler=icpc
-    ;;
-  *)
-    echo "Unrecognized compiler brand."
-    exit 1
-    ;;
-esac
-
-#if cuda is on we need to set the host compiler for the
-#nvcc wrapper and make the wrapper the compiler.
-if [ $cuda_compiler != "" ]; then
-  export NVCC_WRAPPER_DEFAULT_COMPILER=$compiler
-  compiler=$kokkos_path/bin/nvcc_wrapper
-fi
-
-if [ $host_compiler_brand == "intel" -a $cuda_compiler != "" ]; then
-  echo "Intel compilers are not supported with cuda at this time."
-  exit 0
-fi
-
-rm -rf test-$build_path
-mkdir test-$build_path
-cd test-$build_path
-
-/bin/bash $kokkos_path/generate_makefile.bash $build_options --kokkos-path="$kokkos_path" --with-gtest="$gtest_path" --compiler=$compiler 2>&1 |tee configure.out
-
-if [ ${PIPESTATUS[0]} != 0 ]; then
-  echo "Configure failed."
-  exit 1
-fi
-
-make build-test 2>&1 | tee build.log
-
-if [ ${PIPESTATUS[0]} != 0 ]; then
-  echo "Build failed."
-  exit 1
-fi
-
-make test 2>&1 | tee test.log
-
-grep "FAIL" test.log
-if [ $? == 0 ]; then
-  echo "Tests failed."
-  exit 1
-fi
diff --git a/lib/kokkos/scripts/testing_scripts/obj_size_opt_check b/lib/kokkos/scripts/testing_scripts/obj_size_opt_check
deleted file mode 100755
index 47c84d1a92a8a288115ecf0d416d57b349fb69b4..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/testing_scripts/obj_size_opt_check
+++ /dev/null
@@ -1,287 +0,0 @@
-#! /usr/bin/env python
-
-"""
-Compute the size at which the current compiler will start to
-significantly scale back optimization.
-
-The CPP file being modified will need the following tags.
-// JGF_DUPLICATE_BEGIN - Put before start of function to duplicate
-// JGF_DUPLICATE_END - Put after end of function to duplcate
-// JGF_DUPE function_name(args); - Put anywhere where it's legal to
-put a function call but not in your timing section.
-
-The program will need to output the string:
-FOM: <number>
-This will represent the program's performance
-"""
-
-import argparse, sys, os, doctest, subprocess, re, time
-
-VERBOSE = False
-
-###############################################################################
-def parse_command_line(args, description):
-###############################################################################
-    parser = argparse.ArgumentParser(
-        usage="""\n%s <cppfile> <build-command> <run-command> [--verbose]
-OR
-%s --help
-OR
-%s --test
-
-\033[1mEXAMPLES:\033[0m
-    > %s foo.cpp 'make -j4' foo
-""" % ((os.path.basename(args[0]), ) * 4),
-
-description=description,
-
-formatter_class=argparse.ArgumentDefaultsHelpFormatter
-)
-
-    parser.add_argument("cppfile", help="Name of file to modify.")
-
-    parser.add_argument("buildcmd", help="Build command")
-
-    parser.add_argument("execmd", help="Run command")
-
-    parser.add_argument("-v", "--verbose", action="store_true",
-                        help="Print extra information")
-
-    parser.add_argument("-s", "--start", type=int, default=1,
-                        help="Starting number of dupes")
-
-    parser.add_argument("-e", "--end", type=int, default=1000,
-                        help="Ending number of dupes")
-
-    parser.add_argument("-n", "--repeat", type=int, default=10,
-                        help="Number of times to repeat an individial execution. Best value will be taken.")
-
-    parser.add_argument("-t", "--template", action="store_true",
-                        help="Use templating instead of source copying to increase object size")
-
-    parser.add_argument("-c", "--csv", action="store_true",
-                        help="Print results as CSV")
-
-    args = parser.parse_args(args[1:])
-
-    if (args.verbose):
-        global VERBOSE
-        VERBOSE = True
-
-    return args.cppfile, args.buildcmd, args.execmd, args.start, args.end, args.repeat, args.template, args.csv
-
-###############################################################################
-def verbose_print(msg, override=None):
-###############################################################################
-    if ( (VERBOSE and not override is False) or override):
-        print msg
-
-###############################################################################
-def error_print(msg):
-###############################################################################
-    print >> sys.stderr, msg
-
-###############################################################################
-def expect(condition, error_msg):
-###############################################################################
-    """
-    Similar to assert except doesn't generate an ugly stacktrace. Useful for
-    checking user error, not programming error.
-    """
-    if (not condition):
-        raise SystemExit("FAIL: %s" % error_msg)
-
-###############################################################################
-def run_cmd(cmd, ok_to_fail=False, input_str=None, from_dir=None, verbose=None,
-            arg_stdout=subprocess.PIPE, arg_stderr=subprocess.PIPE):
-###############################################################################
-    verbose_print("RUN: %s" % cmd, verbose)
-
-    if (input_str is not None):
-        stdin = subprocess.PIPE
-    else:
-        stdin = None
-
-    proc = subprocess.Popen(cmd,
-                            shell=True,
-                            stdout=arg_stdout,
-                            stderr=arg_stderr,
-                            stdin=stdin,
-                            cwd=from_dir)
-    output, errput = proc.communicate(input_str)
-    output = output.strip() if output is not None else output
-    stat = proc.wait()
-
-    if (ok_to_fail):
-        return stat, output, errput
-    else:
-        if (arg_stderr is not None):
-            errput = errput if errput is not None else open(arg_stderr.name, "r").read()
-            expect(stat == 0, "Command: '%s' failed with error '%s'" % (cmd, errput))
-        else:
-            expect(stat == 0, "Command: '%s' failed. See terminal output" % cmd)
-        return output
-
-###############################################################################
-def build_and_run(source, cppfile, buildcmd, execmd, repeat):
-###############################################################################
-    open(cppfile, 'w').writelines(source)
-
-    run_cmd(buildcmd)
-
-    best = None
-    for i in xrange(repeat):
-        wait_for_quiet_machine()
-        output = run_cmd(execmd)
-
-        current = None
-        fom_regex = re.compile(r'^FOM: ([0-9.]+)$')
-        for line in output.splitlines():
-            m = fom_regex.match(line)
-            if (m is not None):
-                current = float(m.groups()[0])
-                break
-
-        expect(current is not None, "No lines in output matched FOM regex")
-
-        if (best is None or best < current):
-            best = current
-
-    return best
-
-###############################################################################
-def wait_for_quiet_machine():
-###############################################################################
-    while(True):
-        time.sleep(2)
-
-        # The first iteration of top gives garbage results
-        idle_pct_raw = run_cmd("top -bn2 | grep 'Cpu(s)' | tr ',' ' ' | tail -n 1 | awk '{print $5}'")
-
-        idle_pct_re = re.compile(r'^([0-9.]+)%id$')
-        m = idle_pct_re.match(idle_pct_raw)
-
-        expect(m is not None, "top not returning output in expected form")
-
-        idle_pct = float(m.groups()[0])
-        if (idle_pct < 95):
-            error_print("Machine is too busy, waiting for it to become free")
-        else:
-            break
-
-###############################################################################
-def add_n_dupes(curr_lines, num_dupes, template):
-###############################################################################
-    function_name  = None
-    function_invocation = None
-    function_lines = []
-
-    function_re = re.compile(r'^.* (\w+) *[(]')
-    function_inv_re = re.compile(r'^.*JGF_DUPE: +(.+)$')
-
-    # Get function lines
-    record = False
-    definition_insertion_point = None
-    invocation_insertion_point = None
-    for idx, line in enumerate(curr_lines):
-        if ("JGF_DUPLICATE_BEGIN" in line):
-            record = True
-            m = function_re.match(curr_lines[idx+1])
-            expect(m is not None, "Could not find function in line '%s'" % curr_lines[idx+1])
-            function_name = m.groups()[0]
-
-        elif ("JGF_DUPLICATE_END" in line):
-            record = False
-            definition_insertion_point = idx + 1
-
-        elif (record):
-            function_lines.append(line)
-
-        elif ("JGF_DUPE" in line):
-            m = function_inv_re.match(line)
-            expect(m is not None, "Could not find function invocation example in line '%s'" % line)
-            function_invocation = m.groups()[0]
-            invocation_insertion_point = idx + 1
-
-    expect(function_name is not None, "Could not find name of dupe function")
-    expect(function_invocation is not None, "Could not find function invocation point")
-
-    expect(definition_insertion_point < invocation_insertion_point, "fix me")
-
-    dupe_func_defs = []
-    dupe_invocations = ["int jgf_rand = std::rand();\n", "if (false) {}\n"]
-
-    for i in xrange(num_dupes):
-        if (not template):
-            dupe_func = list(function_lines)
-            dupe_func[0] = dupe_func[0].replace(function_name, "%s%d" % (function_name, i))
-            dupe_func_defs.extend(dupe_func)
-
-        dupe_invocations.append("else if (jgf_rand == %d) " % i)
-        if (template):
-            dupe_call = function_invocation.replace(function_name, "%s<%d>" % (function_name, i)) + "\n"
-        else:
-            dupe_call = function_invocation.replace(function_name, "%s%d" % (function_name, i))  + "\n"
-        dupe_invocations.append(dupe_call)
-
-    curr_lines[invocation_insertion_point:invocation_insertion_point] = dupe_invocations
-    curr_lines[definition_insertion_point:definition_insertion_point] = dupe_func_defs
-
-###############################################################################
-def report(num_dupes, curr_lines, object_file, orig_fom, curr_fom, csv=False, is_first_report=False):
-###############################################################################
-    fom_change = (curr_fom - orig_fom) / orig_fom
-
-    if (csv):
-        if (is_first_report):
-            print "num_dupes, obj_byte_size, loc, fom, pct_diff"
-
-        print "%s, %s, %s, %s, %s" % (num_dupes, os.path.getsize(object_file), len(curr_lines), curr_fom, fom_change*100)
-    else:
-        print "========================================================"
-        print "For number of dupes:", num_dupes
-        print "Object file size (bytes):", os.path.getsize(object_file)
-        print "Lines of code:", len(curr_lines)
-        print "Field of merit:", curr_fom
-        print "Change pct:", fom_change*100
-
-###############################################################################
-def obj_size_opt_check(cppfile, buildcmd, execmd, start, end, repeat, template, csv=False):
-###############################################################################
-    orig_source_lines = open(cppfile, 'r').readlines()
-
-    backup_file = "%s.orig" % cppfile
-    object_file = "%s.o" % os.path.splitext(cppfile)[0]
-    os.rename(cppfile, backup_file)
-
-    orig_fom = build_and_run(orig_source_lines, cppfile, buildcmd, execmd, repeat)
-    report(0, orig_source_lines, object_file, orig_fom, orig_fom, csv=csv, is_first_report=True)
-
-    i = start
-    while (i < end):
-        curr_lines = list(orig_source_lines)
-        add_n_dupes(curr_lines, i, template)
-
-        curr_fom = build_and_run(curr_lines, cppfile, buildcmd, execmd, repeat)
-
-        report(i, curr_lines, object_file, orig_fom, curr_fom, csv=csv)
-
-        i *= 2 # make growth function configurable?
-
-    os.remove(cppfile)
-    os.rename(backup_file, cppfile)
-
-###############################################################################
-def _main_func(description):
-###############################################################################
-    if ("--test" in sys.argv):
-        test_results = doctest.testmod(verbose=True)
-        sys.exit(1 if test_results.failed > 0 else 0)
-
-    cppfile, buildcmd, execmd, start, end, repeat, template, csv = parse_command_line(sys.argv, description)
-
-    obj_size_opt_check(cppfile, buildcmd, execmd, start, end, repeat, template, csv)
-
-###############################################################################
-if (__name__ == "__main__"):
-    _main_func(__doc__)
diff --git a/lib/kokkos/scripts/testing_scripts/test_all_sandia b/lib/kokkos/scripts/testing_scripts/test_all_sandia
deleted file mode 100755
index d34d04b7ce951eb9c093a2b389e997066f8ae4b2..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/testing_scripts/test_all_sandia
+++ /dev/null
@@ -1,811 +0,0 @@
-#!/bin/bash -e
-
-#
-# Global config
-#
-
-set -o pipefail
-
-# Determine current machine.
-
-MACHINE=""
-HOSTNAME=$(hostname)
-PROCESSOR=`uname -p`
-
-if [[ "$HOSTNAME" =~ (white|ride).* ]]; then
-  MACHINE=white
-  module load git
-fi
-
-if [[ "$HOSTNAME" =~ .*bowman.* ]]; then
-  MACHINE=bowman
-  module load git
-fi
-
-if [[ "$HOSTNAME" == *blake* ]]; then # Warning: very generic name
-  MACHINE=blake
-  module load git
-fi
-
-if [[ "$HOSTNAME" == apollo\.* ]]; then
-  MACHINE=apollo
-  module load git
-fi
-
-if [[ "$HOSTNAME" == mayer\.* ]]; then
-  MACHINE=mayer
-#  module load git
-fi
-if [[ "$HOSTNAME" == cn* ]]; then # Warning: very generic name
-  MACHINE=mayer
-fi
-
-if [ ! -z "$SEMS_MODULEFILES_ROOT" ]; then
-  if [[ "$MACHINE" = "" ]]; then
-    MACHINE=sems
-    module load sems-git
-  fi  
-fi
-
-if [[ "$MACHINE" = "" ]]; then
-  echo "Unrecognized machine" >&2
-  exit 1
-fi
-
-echo "Running on machine: $MACHINE"
-
-GCC_BUILD_LIST="OpenMP,Pthread,Serial,OpenMP_Serial,Pthread_Serial"
-IBM_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
-ARM_GCC_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
-INTEL_BUILD_LIST="OpenMP,Pthread,Serial,OpenMP_Serial,Pthread_Serial"
-CLANG_BUILD_LIST="Pthread,Serial,Pthread_Serial"
-CUDA_BUILD_LIST="Cuda_OpenMP,Cuda_Pthread,Cuda_Serial"
-CUDA_IBM_BUILD_LIST="Cuda_OpenMP,Cuda_Serial"
-
-GCC_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wignored-qualifiers,-Wempty-body,-Wclobbered,-Wuninitialized"
-IBM_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Wsign-compare,-Wtype-limits,-Wuninitialized"
-CLANG_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
-INTEL_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
-CUDA_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
-#CUDA_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Wsign-compare,-Wtype-limits,-Wuninitialized"
-PGI_WARNING_FLAGS=""
-
-# Default. Machine specific can override.
-DEBUG=False
-ARGS=""
-CUSTOM_BUILD_LIST=""
-QTHREADS_PATH=""
-DRYRUN=False
-BUILD_ONLY=False
-declare -i NUM_JOBS_TO_RUN_IN_PARALLEL=1
-TEST_SCRIPT=False
-SKIP_HWLOC=False
-SPOT_CHECK=False
-
-PRINT_HELP=False
-OPT_FLAG=""
-CXX_FLAGS_EXTRA=""
-LD_FLAGS_EXTRA=""
-KOKKOS_OPTIONS=""
-
-CXX_STANDARD="c++11"
-
-#
-# Handle arguments.
-#
-
-while [[ $# > 0 ]]
-do
-  key="$1"
-
-  case $key in
-    --kokkos-path*)
-      KOKKOS_PATH="${key#*=}"
-      ;;
-    --qthreads-path*)
-      QTHREADS_PATH="${key#*=}"
-      ;;
-    --build-list*)
-      CUSTOM_BUILD_LIST="${key#*=}"
-      ;;
-    --debug*)
-      DEBUG=True
-      ;;
-    --build-only*)
-      BUILD_ONLY=True
-      ;;
-    --test-script*)
-      TEST_SCRIPT=True
-      ;;
-    --skip-hwloc*)
-      SKIP_HWLOC=True
-      ;;
-    --num*)
-      NUM_JOBS_TO_RUN_IN_PARALLEL="${key#*=}"
-      ;;
-    --dry-run*)
-      DRYRUN=True
-      ;;
-    --spot-check*)
-      SPOT_CHECK=True
-      ;;
-    --arch*)
-      ARCH_FLAG="--arch=${key#*=}"
-      ;;
-    --opt-flag*)
-      OPT_FLAG="${key#*=}"
-      ;;
-    --with-cuda-options*)
-      KOKKOS_CUDA_OPTIONS="--with-cuda-options=${key#*=}"
-      ;;
-    --with-options*)
-      KOKKOS_OPTIONS="--with-options=${key#*=}"
-      ;;
-    --cxxflags-extra*)
-      CXX_FLAGS_EXTRA="${key#*=}"
-      ;;
-    --cxxstandard*)
-      CXX_STANDARD="${key#*=}"
-      ;;
-    --ldflags-extra*)
-      LD_FLAGS_EXTRA="${key#*=}"
-      ;;
-    --help*)
-      PRINT_HELP=True
-      ;;
-    *)
-      # args, just append
-      ARGS="$ARGS $1"
-      ;;
-  esac
-
-  shift
-done
-
-SCRIPT_KOKKOS_ROOT=$( cd "$( dirname "$0" )" && cd ../.. && pwd )
-
-# Set kokkos path.
-if [ -z "$KOKKOS_PATH" ]; then
-  KOKKOS_PATH=$SCRIPT_KOKKOS_ROOT
-else
-  # Ensure KOKKOS_PATH is abs path.
-  KOKKOS_PATH=$( cd $KOKKOS_PATH && pwd )
-fi
-
-UNCOMMITTED=`cd ${KOKKOS_PATH}; git status --porcelain 2>/dev/null`
-if ! [ -z "$UNCOMMITTED" ]; then
-  echo "WARNING!! THE FOLLOWING CHANGES ARE UNCOMMITTED!! :"
-  echo "$UNCOMMITTED"
-  echo ""
-fi
-
-GITSTATUS=`cd ${KOKKOS_PATH}; git log -n 1 --format=oneline`
-echo "Repository Status: " ${GITSTATUS}
-echo ""
-echo ""
-
-#
-# Machine specific config.
-#
-
-if [ "$MACHINE" = "sems" ]; then
-  source /projects/sems/modulefiles/utils/sems-modules-init.sh
-
-  BASE_MODULE_LIST="sems-env,kokkos-env,kokkos-hwloc/1.10.1/base,sems-<COMPILER_NAME>/<COMPILER_VERSION>"
-  CUDA_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/4.8.4,kokkos-hwloc/1.10.1/base"
-  CUDA8_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0,kokkos-hwloc/1.10.1/base"
-
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG=""
-  fi
-
-  if [ "$SPOT_CHECK" = "True" ]; then
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("gcc/5.3.0 $BASE_MODULE_LIST "OpenMP" g++ $GCC_WARNING_FLAGS"
-               "gcc/7.3.0 $BASE_MODULE_LIST "Serial" g++ $GCC_WARNING_FLAGS"
-               "intel/17.0.1 $BASE_MODULE_LIST "OpenMP" icpc $INTEL_WARNING_FLAGS"
-               "clang/4.0.1 $BASE_MODULE_LIST "Pthread_Serial" clang++ $CLANG_WARNING_FLAGS"
-               "cuda/8.0.44 $CUDA8_MODULE_LIST "Cuda_OpenMP" $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-    )
-  else
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("gcc/4.8.4 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/5.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/6.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/7.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "intel/15.0.2 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "intel/16.0.3 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "intel/17.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "clang/3.6.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "clang/3.7.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "clang/3.8.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "clang/3.9.0 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "clang/4.0.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "cuda/7.5.18 $CUDA_MODULE_LIST $CUDA_BUILD_LIST $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-               "cuda/8.0.44 $CUDA8_MODULE_LIST $CUDA_BUILD_LIST $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-    )
-  fi
-elif [ "$MACHINE" = "white" ]; then
-  source /etc/profile.d/modules.sh
-  SKIP_HWLOC=True
-  export SLURM_TASKS_PER_NODE=32
-
-  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
-  IBM_MODULE_LIST="<COMPILER_NAME>/xl/<COMPILER_VERSION>,gcc/7.2.0"
-  CUDA_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/7.2.0,ibm/xl/16.1.0"
-  CUDA10_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/7.4.0,ibm/xl/16.1.0"
-
-  # Don't do pthread on white.
-  GCC_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
-
-  if [ "$SPOT_CHECK" = "True" ]; then
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("gcc/6.4.0 $BASE_MODULE_LIST "OpenMP_Serial" g++ $GCC_WARNING_FLAGS"
-               "gcc/7.2.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "ibm/16.1.0 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
-               "cuda/9.2.88 $CUDA_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-    )
-  else
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("gcc/6.4.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/7.2.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "ibm/16.1.0 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
-               "ibm/16.1.1 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
-               "cuda/9.2.88 $CUDA_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-               "cuda/10.0.130 $CUDA10_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-    )
-  fi
-
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG="--arch=Power8,Kepler37"
-  fi
-
-elif [ "$MACHINE" = "bowman" ]; then
-  source /etc/profile.d/modules.sh
-  SKIP_HWLOC=True
-  export SLURM_TASKS_PER_NODE=32
-
-  BASE_MODULE_LIST="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
-
-  OLD_INTEL_BUILD_LIST="Pthread,Serial,Pthread_Serial"
-
-  # Format: (compiler module-list build-list exe-name warning-flag)
-  COMPILERS=("intel/16.4.258 $BASE_MODULE_LIST $OLD_INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-             "intel/17.2.174 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-             "intel/18.2.199 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-  )
-
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG="--arch=KNL"
-  fi
-
-elif [ "$MACHINE" = "mayer" ]; then
-  SKIP_HWLOC=True
-  export SLURM_TASKS_PER_NODE=96
-
-  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
-  ARM_MODULE_LIST="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
-
-  # Format: (compiler module-list build-list exe-name warning-flag)
-  COMPILERS=("gcc/7.2.0 $BASE_MODULE_LIST $ARM_GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "arm/18.4.0 $ARM_MODULE_LIST $ARM_GCC_BUILD_LIST armclang++ $CLANG_WARNING_FLAGS")
-
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG="--arch=ARMv8-TX2"
-  fi
-
-elif [ "$MACHINE" = "blake" ]; then
-  source /etc/profile.d/modules.sh
-  SKIP_HWLOC=True
-  export SLURM_TASKS_PER_NODE=32
-
-  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
-  BASE_MODULE_LIST_INTEL="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
-
-  if [ "$SPOT_CHECK" = "True" ]; then
-
-  # Format: (compiler module-list build-list exe-name warning-flag)
-  COMPILERS=("intel/18.1.163 $BASE_MODULE_LIST_INTEL $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-             "gcc/7.2.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "pgi/17.10.0 $BASE_MODULE_LIST $GCC_BUILD_LIST pgc++ $PGI_WARNING_FLAGS"
-  )
-  else
-  COMPILERS=("intel/18.1.163 $BASE_MODULE_LIST_INTEL $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-             "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "gcc/5.5.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "gcc/6.4.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "gcc/7.2.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "gcc/8.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "pgi/17.10.0 $BASE_MODULE_LIST $GCC_BUILD_LIST pgc++ $PGI_WARNING_FLAGS"
-  )
-
-  fi
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG="--arch=SKX"
-  fi
-
-elif [ "$MACHINE" = "apollo" ]; then
-  source /projects/sems/modulefiles/utils/sems-modules-init.sh
-  module use /home/projects/modulefiles/local/x86-64
-  module load kokkos-env
-
-  module load sems-git
-  module load sems-tex
-  module load sems-cmake/3.5.2
-  module load sems-gdb
-
-  SKIP_HWLOC=True
-
-  BASE_MODULE_LIST="sems-env,kokkos-env,sems-<COMPILER_NAME>/<COMPILER_VERSION>,kokkos-hwloc/1.10.1/base"
-  CUDA_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/4.8.4,kokkos-hwloc/1.10.1/base"
-  CUDA8_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0,kokkos-hwloc/1.10.1/base"
-  CUDA10_MODULE_LIST="sems-env,kokkos-env,<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0,kokkos-hwloc/1.10.1/base"
-
-  CLANG_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,cuda/9.0.69"
-  CLANG7_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,cuda/9.1"
-  NVCC_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0"
-
-  BUILD_LIST_CUDA_NVCC="Cuda_Serial,Cuda_OpenMP"
-  BUILD_LIST_CUDA_CLANG="Cuda_Serial,Cuda_Pthread"
-  BUILD_LIST_CLANG="Serial,Pthread,OpenMP"
-
-  if [ "$SPOT_CHECK" = "True" ]; then
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("gcc/4.8.4 $BASE_MODULE_LIST "OpenMP,Pthread" g++ $GCC_WARNING_FLAGS"
-               "gcc/5.3.0 $BASE_MODULE_LIST "Serial" g++ $GCC_WARNING_FLAGS"
-               "intel/16.0.1 $BASE_MODULE_LIST "OpenMP" icpc $INTEL_WARNING_FLAGS"
-               "clang/3.9.0 $BASE_MODULE_LIST "Pthread_Serial" clang++ $CLANG_WARNING_FLAGS"
-               "clang/6.0 $CLANG_MODULE_LIST "Cuda_Pthread,OpenMP" clang++ $CUDA_WARNING_FLAGS"
-               "cuda/9.1 $CUDA_MODULE_LIST "Cuda_OpenMP" $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-    )
-  else
-    # Format: (compiler module-list build-list exe-name warning-flag)
-    COMPILERS=("cuda/9.1 $CUDA8_MODULE_LIST $BUILD_LIST_CUDA_NVCC $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-               "cuda/10.0 $CUDA10_MODULE_LIST $BUILD_LIST_CUDA_NVCC $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-               "clang/6.0 $CLANG_MODULE_LIST $BUILD_LIST_CUDA_CLANG clang++ $CUDA_WARNING_FLAGS"
-               "clang/7.0 $CLANG7_MODULE_LIST $BUILD_LIST_CUDA_CLANG clang++ $CUDA_WARNING_FLAGS"
-               "clang/3.9.0 $CLANG_MODULE_LIST $BUILD_LIST_CLANG clang++ $CLANG_WARNING_FLAGS"
-               "gcc/4.8.4 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/5.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "gcc/6.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-               "intel/15.0.2 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "intel/16.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "intel/17.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
-               "clang/3.5.2 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-               "clang/3.6.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
-    )
-  fi
-
-  if [ -z "$ARCH_FLAG" ]; then
-    ARCH_FLAG="--arch=SNB,Volta70"
-  fi
-
-else
-  echo "Unhandled machine $MACHINE" >&2
-  exit 1
-fi
-
-export OMP_NUM_THREADS=8
-export OMP_PROC_BIND=spread
-export OMP_PLACES=cores
-
-declare -i NUM_RESULTS_TO_KEEP=7
-
-RESULT_ROOT_PREFIX=TestAll
-
-if [ "$PRINT_HELP" = "True" ]; then
-  echo "test_all_sandia <ARGS> <OPTIONS>:"
-  echo "--kokkos-path=/Path/To/Kokkos: Path to the Kokkos root directory"
-  echo "    Defaults to root repo containing this script"
-  echo "--debug: Run tests in debug. Defaults to False"
-  echo "--test-script: Test this script, not Kokkos"
-  echo "--skip-hwloc: Do not do hwloc tests"
-  echo "--num=N: Number of jobs to run in parallel"
-  echo "--spot-check: Minimal test set to issue pull request"
-  echo "--dry-run: Just print what would be executed"
-  echo "--build-only: Just do builds, don't run anything"
-  echo "--opt-flag=FLAG: Optimization flag (default: -O3)"
-  echo "--cxxflags-extra=FLAGS: Extra flags to be added to CXX_FLAGS"
-  echo "--ldflags-extra=FLAGS: Extra flags to be added to LD_FLAGS"
-  echo "--arch=ARCHITECTURE: overwrite architecture flags"
-  echo "--with-cuda-options=OPT: set KOKKOS_CUDA_OPTIONS"
-  echo "--build-list=BUILD,BUILD,BUILD..."
-  echo "    Provide a comma-separated list of builds instead of running all builds"
-  echo "    Valid items:"
-  echo "      OpenMP, Pthread, Qthreads, Serial, OpenMP_Serial, Pthread_Serial"
-  echo "      Qthreads_Serial, Cuda_OpenMP, Cuda_Pthread, Cuda_Serial"
-  echo ""
-
-  echo "ARGS: list of expressions matching compilers to test"
-  echo "  supported compilers sems"
-  for COMPILER_DATA in "${COMPILERS[@]}"; do
-    ARR=($COMPILER_DATA)
-    COMPILER=${ARR[0]}
-    echo "    $COMPILER"
-  done
-  echo ""
-
-  echo "Examples:"
-  echo "  Run all tests"
-  echo "  % test_all_sandia"
-  echo ""
-  echo "  Run all gcc tests"
-  echo "  % test_all_sandia gcc"
-  echo ""
-  echo "  Run all gcc/4.8.4 and all intel tests"
-  echo "  % test_all_sandia gcc/4.8.4 intel"
-  echo ""
-  echo "  Run all tests in debug"
-  echo "  % test_all_sandia --debug"
-  echo ""
-  echo "  Run gcc/4.8.4 and only do OpenMP and OpenMP_Serial builds"
-  echo "  % test_all_sandia gcc/4.8.4 --build-list=OpenMP,OpenMP_Serial"
-  echo ""
-  echo "If you want to kill the tests, do:"
-  echo "  hit ctrl-z"
-  echo "  % kill -9 %1"
-  echo
-  exit 0
-fi
-
-# Set build type.
-if [ "$DEBUG" = "True" ]; then
-  BUILD_TYPE=debug
-else
-  BUILD_TYPE=release
-fi
-
-# If no args provided, do all compilers.
-if [ -z "$ARGS" ]; then
-  ARGS='?'
-fi
-
-# Process args to figure out which compilers to test.
-COMPILERS_TO_TEST=""
-
-for ARG in $ARGS; do
-  for COMPILER_DATA in "${COMPILERS[@]}"; do
-    ARR=($COMPILER_DATA)
-    COMPILER=${ARR[0]}
-
-    if [[ "$COMPILER" = $ARG* ]]; then
-      if [[ "$COMPILERS_TO_TEST" != *${COMPILER}* ]]; then
-        COMPILERS_TO_TEST="$COMPILERS_TO_TEST $COMPILER"
-      else
-        echo "Tried to add $COMPILER twice"
-      fi
-    fi
-  done
-done
-
-# Check if Qthreads build requested.
-HAVE_QTHREADS_BUILD="False"
-if [ -n "$CUSTOM_BUILD_LIST" ]; then
-  if [[ "$CUSTOM_BUILD_LIST" = *Qthreads* ]]; then
-    HAVE_QTHREADS_BUILD="True"
-  fi
-else
-  for COMPILER_DATA in "${COMPILERS[@]}"; do
-    ARR=($COMPILER_DATA)
-    BUILD_LIST=${ARR[2]}
-    if [[ "$BUILD_LIST" = *Qthreads* ]]; then
-      HAVE_QTHREADS_BUILD="True"
-    fi
-  done
-fi
-
-# Ensure Qthreads path is set if Qthreads build is requested.
-if [ "$HAVE_QTHREADS_BUILD" = "True" ]; then
-  if [ -z "$QTHREADS_PATH" ]; then
-    echo "Need to supply Qthreads path (--qthreads-path) when testing Qthreads backend." >&2
-    exit 1
-  else
-    # Strip trailing slashes from path.
-    QTHREADS_PATH=$(echo $QTHREADS_PATH | sed 's/\/*$//')
-  fi
-fi
-
-#
-# Functions.
-#
-
-# get_compiler_name <COMPILER>
-get_compiler_name() {
-  echo $1 | cut -d/ -f1
-}
-
-# get_compiler_version <COMPILER>
-get_compiler_version() {
-  echo $1 | cut -d/ -f2
-}
-
-# Do not call directly.
-get_compiler_data() {
-  local compiler=$1
-  local item=$2
-  local compiler_name=$(get_compiler_name $compiler)
-  local compiler_vers=$(get_compiler_version $compiler)
-
-  local compiler_data
-  for compiler_data in "${COMPILERS[@]}" ; do
-    local arr=($compiler_data)
-
-    if [ "$compiler" = "${arr[0]}" ]; then
-      echo "${arr[$item]}" | tr , ' ' | sed -e "s/<COMPILER_NAME>/$compiler_name/g" -e "s/<COMPILER_VERSION>/$compiler_vers/g"
-      return 0
-    fi
-  done
-
-  # Not found.
-  echo "Unreconized compiler $compiler" >&2
-  exit 1
-}
-
-#
-# For all getters, usage: <GETTER> <COMPILER>
-#
-
-get_compiler_modules() {
-  get_compiler_data $1 1
-}
-
-get_compiler_build_list() {
-  get_compiler_data $1 2
-}
-
-get_compiler_exe_name() {
-  get_compiler_data $1 3
-}
-
-get_compiler_warning_flags() {
-  get_compiler_data $1 4
-}
-
-run_cmd() {
-  echo "RUNNING: $*"
-  if [ "$DRYRUN" != "True" ]; then
-    eval "$* 2>&1"
-  fi
-}
-
-# report_and_log_test_results <SUCCESS> <DESC> <COMMENT>
-report_and_log_test_result() {
-  # Use sane var names.
-  local success=$1; local desc=$2; local comment=$3;
-
-  if [ "$success" = "0" ]; then
-    echo "  PASSED $desc"
-    echo $comment > $PASSED_DIR/$desc
-  else
-    # For failures, comment should be the name of the phase that failed.
-    echo "  FAILED $desc" >&2
-    echo $comment > $FAILED_DIR/$desc
-    cat ${desc}.${comment}.log
-  fi
-}
-
-setup_env() {
-  local compiler=$1
-  local compiler_modules=$(get_compiler_modules $compiler)
-
-  module purge
-
-  local mod
-  for mod in $compiler_modules; do
-    echo "Loading module $mod"
-    module load $mod 2>&1
-    # It is ridiculously hard to check for the success of a loaded
-    # module. Module does not return error codes and piping to grep
-    # causes module to run in a subshell.
-    module list 2>&1 | grep "$mod" >& /dev/null || return 1
-  done
-
-  return 0
-}
-
-# single_build_and_test <COMPILER> <BUILD> <BUILD_TYPE>
-single_build_and_test() {
-  # Use sane var names.
-  local compiler=$1; local build=$2; local build_type=$3;
-
-  # Set up env.
-  mkdir -p $ROOT_DIR/$compiler/"${build}-$build_type"
-  cd $ROOT_DIR/$compiler/"${build}-$build_type"
-  local desc=$(echo "${compiler}-${build}-${build_type}" | sed 's:/:-:g')
-  setup_env $compiler >& ${desc}.configure.log || { report_and_log_test_result 1 ${desc} configure && return 0; }
-
-  # Set up flags.
-  local compiler_warning_flags=$(get_compiler_warning_flags $compiler)
-  local compiler_exe=$(get_compiler_exe_name $compiler)
-
-  if [[ "$build_type" = hwloc* ]]; then
-    local extra_args=--with-hwloc=$(dirname $(dirname $(which hwloc-info)))
-  fi
-
-  if [[ "$build" = *Qthreads* ]]; then
-    if [[ "$build_type" = hwloc* ]]; then
-      local extra_args="$extra_args --qthreads-path=${QTHREADS_PATH}_hwloc"
-    else
-      local extra_args="$extra_args --qthreads-path=$QTHREADS_PATH"
-    fi
-  fi
-
-  if [[ "$OPT_FLAG" = "" ]]; then
-    OPT_FLAG="-O3"
-  fi
-
-  if [[ "$build_type" = *debug* ]]; then
-    local extra_args="$extra_args --debug"
-    local cxxflags="-g $compiler_warning_flags"
-    local ldflags="-g"
-  else
-    local cxxflags="$OPT_FLAG $compiler_warning_flags"
-    local ldflags="${OPT_FLAG}"
-  fi
-
-  local cxxflags="${cxxflags} ${CXX_FLAGS_EXTRA}"
-  local ldflags="${ldflags} ${LD_FLAGS_EXTRA}"
-
-  local cxx_standard="${CXX_STANDARD}"
-
-  if [[ "$KOKKOS_CUDA_OPTIONS" != "" ]]; then
-    local extra_args="$extra_args $KOKKOS_CUDA_OPTIONS"
-  fi
-  if [[ "$KOKKOS_OPTIONS" != "" ]]; then
-    local extra_args="$extra_args $KOKKOS_OPTIONS"
-  else
-    local extra_args="$extra_args --with-options=enable_large_mem_tests"
-  fi    
-
-  echo "  Starting job $desc"
-
-  local comment="no_comment"
-
-  if [ "$TEST_SCRIPT" = "True" ]; then
-    local rand=$[ 1 + $[ RANDOM % 10 ]]
-    sleep $rand
-
-    if [ $rand -gt 5 ]; then
-      run_cmd ls fake_problem >& ${desc}.configure.log || { report_and_log_test_result 1 $desc configure && return 0; }
-    fi
-  else
-    run_cmd ${KOKKOS_PATH}/generate_makefile.bash --with-devices=$build $ARCH_FLAG --compiler=$(which $compiler_exe) --cxxflags=\"$cxxflags\" --cxxstandard=\"$cxx_standard\" --ldflags=\"$ldflags\" $extra_args &>> ${desc}.configure.log || { report_and_log_test_result 1 ${desc} configure && return 0; }
-    local -i build_start_time=$(date +%s)
-    run_cmd make -j 48 build-test >& ${desc}.build.log || { report_and_log_test_result 1 ${desc} build && return 0; }
-    local -i build_end_time=$(date +%s)
-    comment="build_time=$(($build_end_time-$build_start_time))"
-
-    if [[ "$BUILD_ONLY" == False ]]; then
-      run_cmd make test >& ${desc}.test.log || { report_and_log_test_result 1 ${desc} test && return 0; }
-      local -i run_end_time=$(date +%s)
-      comment="$comment run_time=$(($run_end_time-$build_end_time))"
-    fi
-  fi
-
-  report_and_log_test_result 0 $desc "$comment"
-
-  return 0
-}
-
-# wait_for_jobs <NUM-JOBS>
-wait_for_jobs() {
-  local -i max_jobs=$1
-  local -i num_active_jobs=$(jobs | wc -l)
-  while [ $num_active_jobs -ge $max_jobs ]
-  do
-    sleep 1
-    num_active_jobs=$(jobs | wc -l)
-    jobs >& /dev/null
-  done
-}
-
-# run_in_background <COMPILER> <BUILD> <BUILD_TYPE>
-run_in_background() {
-  local compiler=$1
-
-  local -i num_jobs=$NUM_JOBS_TO_RUN_IN_PARALLEL
-  # Don't override command line input.
-  # if [[ "$BUILD_ONLY" == True ]]; then
-  #   num_jobs=8
-  # else
-    if [[ "$compiler" == cuda* ]]; then
-      num_jobs=1
-    fi
-    if [[ "$compiler" == clang ]]; then 
-      num_jobs=1
-    fi
-  # fi
-  wait_for_jobs $num_jobs
-
-  single_build_and_test $* &
-}
-
-# build_and_test_all <COMPILER>
-build_and_test_all() {
-  # Get compiler data.
-  local compiler=$1
-  if [ -z "$CUSTOM_BUILD_LIST" ]; then
-    local compiler_build_list=$(get_compiler_build_list $compiler)
-  else
-    local compiler_build_list=$(echo "$CUSTOM_BUILD_LIST" | tr , ' ')
-  fi
-
-  # Do builds.
-  local build
-  for build in $compiler_build_list
-  do
-    run_in_background $compiler $build $BUILD_TYPE
-
-    # If not cuda, do a hwloc test too.
-    if [[ "$compiler" != cuda* && "$SKIP_HWLOC" == False ]]; then
-      run_in_background $compiler $build "hwloc-$BUILD_TYPE"
-    fi
-  done
-
-  return 0
-}
-
-get_test_root_dir() {
-  local existing_results=$(find . -maxdepth 1 -name "$RESULT_ROOT_PREFIX*" | sort)
-  local -i num_existing_results=$(echo $existing_results | tr ' ' '\n' | wc -l)
-  local -i num_to_delete=${num_existing_results}-${NUM_RESULTS_TO_KEEP}
-
-  if [ $num_to_delete -gt 0 ]; then
-    /bin/rm -rf $(echo $existing_results | tr ' ' '\n' | head -n $num_to_delete)
-  fi
-
-  echo $(pwd)/${RESULT_ROOT_PREFIX}_$(date +"%Y-%m-%d_%H.%M.%S")
-}
-
-wait_summarize_and_exit() {
-  wait_for_jobs 1
-
-  echo "#######################################################"
-  echo "PASSED TESTS"
-  echo "#######################################################"
-
-  local passed_test
-  for passed_test in $(\ls -1 $PASSED_DIR | sort)
-  do
-    echo $passed_test $(cat $PASSED_DIR/$passed_test)
-  done
-
-  local -i rv=0
-  if [ "$(ls -A $FAILED_DIR)" ]; then
-    echo "#######################################################"
-    echo "FAILED TESTS"
-    echo "#######################################################"
-
-    local failed_test
-    for failed_test in $(\ls -1 $FAILED_DIR | sort)
-    do
-      echo $failed_test "("$(cat $FAILED_DIR/$failed_test)" failed)"
-      rv=$rv+1
-    done
-  fi
-
-  exit $rv
-}
-
-#
-# Main.
-#
-
-ROOT_DIR=$(get_test_root_dir)
-mkdir -p $ROOT_DIR
-cd $ROOT_DIR
-
-PASSED_DIR=$ROOT_DIR/results/passed
-FAILED_DIR=$ROOT_DIR/results/failed
-mkdir -p $PASSED_DIR
-mkdir -p $FAILED_DIR
-
-echo "Going to test compilers: " $COMPILERS_TO_TEST
-for COMPILER in $COMPILERS_TO_TEST; do
-  echo "Testing compiler $COMPILER"
-  build_and_test_all $COMPILER
-done
-
-wait_summarize_and_exit
diff --git a/lib/kokkos/scripts/testing_scripts/test_kokkos_master_develop_promotion.sh b/lib/kokkos/scripts/testing_scripts/test_kokkos_master_develop_promotion.sh
deleted file mode 100755
index 048f48194ce7bfe6f773c7f8ee289f76f8f16cb6..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/testing_scripts/test_kokkos_master_develop_promotion.sh
+++ /dev/null
@@ -1,66 +0,0 @@
-#!/bin/bash 
-
-. /etc/profile.d/modules.sh
-
-echo "build-dir $1"
-echo "backend $2"
-echo "module $3"
-echo "compiler $4"
-echo "cxxflags $5"
-echo "architecrure $6"
-echo "debug $7"
-echo "kokkos-options $8"
-echo "kokkos-cuda-options $9"
-echo "hwloc $9"
-
-NOW=`date "+%Y%m%d%H%M%S"`
-BASEDIR="$1-$NOW"
-
-mkdir $BASEDIR
-cd $BASEDIR
-
-module load $2
-
-if [ $9 == "yes" ]; then
-if [ $7 == "debug" ]; then
-  ../generate_makefile.sh --with-devices=$2 \
-  	--compiler=$4 \
-	--cxxflags=$5 \
-        --arch=$6 \
-        --debug \
-	--with-options=$8 \
-        --with-cuda-options=$9
-        --with-hwloc=${HWLOC_ROOT}
-else
-    ../generate_makefile.sh --with-devices=$2 \
-        --compiler=$4 \
-        --cxxflags=$5 \
-        --arch=$6 \
-        --debug \
-        --with-options=$8 \
-        --with-cuda-options=$9 
-        --with-hwloc=${HWLOC_ROOT}
-fi
-else
-if [ $7 == "debug" ]; then
-  ../generate_makefile.sh --with-devices=$2 \
-        --compiler=$4 \
-        --cxxflags=$5 \
-        --arch=$6 \
-        --debug \
-        --with-options=$8 \
-        --with-cuda-options=$9
-else
-    ../generate_makefile.sh --with-devices=$2 \
-        --compiler=$4 \
-        --cxxflags=$5 \
-        --arch=$6 \
-        --debug \
-        --with-options=$8 \
-        --with-cuda-options=$9 
-fi
-fi
-
-
-make test
-return $?
diff --git a/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel
deleted file mode 100755
index df370509a748193dca64213e0b22f416d7c0cbdd..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel
+++ /dev/null
@@ -1,63 +0,0 @@
-#!/bin/bash -el
-ulimit -c 0
-module load devpack/20171203/openmpi/2.1.2/intel/18.1.163
-# Trilinos now requires cmake version >= 3.10.0
-module swap cmake/3.9.0 cmake/3.10.2
-
-KOKKOS_BRANCH=$1
-TRILINOS_UPDATE_BRANCH=$2
-TRILINOS_PRISTINE_BRANCH=$3
-
-if [ -z $KOKKOS_BRANCH ]
-then
-  KOKKOS_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_UPDATE_BRANCH ]
-then
-  TRILINOS_UPDATE_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_PRISTINE_BRANCH ]
-then
-  TRILINOS_PRISTINE_BRANCH=develop
-fi
-
-export OMP_NUM_THREADS=8
-export JENKINS_DO_CUDA=OFF
-export JENKINS_DO_OPENMP=OFF
-export JENKINS_DO_PTHREAD=ON
-export JENKINS_DO_SERIAL=OFF
-export JENKINS_DO_COMPLEX=OFF
-
-export JENKINS_ARCH=SKX
-export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX512 -mkl"
-export JENKINS_ARCH_C_FLAG="-xCORE-AVX512 -mkl"
-export BLAS_LIBRARIES="-mkl;${MKLROOT}/lib/intel64/libmkl_intel_lp64.a;${MKLROOT}/lib/intel64/libmkl_intel_thread.a;${MKLROOT}/lib/intel64/libmkl_core.a"
-export LAPACK_LIBRARIES=${BLAS_LIBRARIES}
-
-export JENKINS_DO_TESTS=ON
-export JENKINS_DO_EXAMPLES=ON
-export JENKINS_DO_SHARED=ON
-
-export QUEUE=blake
-
-
-module load python
-
-
-export KOKKOS_PATH=${PWD}/kokkos
-
-#Already done:
-if [ ! -d "${KOKKOS_PATH}" ]; then
-  git clone https://github.com/kokkos/kokkos ${KOKKOS_PATH}
-fi
-
-cd ${KOKKOS_PATH}
-git checkout $KOKKOS_BRANCH
-git pull
-cd ..
-
-source ${KOKKOS_PATH}/scripts/trilinos-integration/prepare_trilinos_repos.sh $TRILINOS_UPDATE_BRANCH $TRILINOS_PRISTINE_BRANCH
-
-${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/run_repo_comparison_slurm ${TRILINOS_UPDATED_PATH} ${TRILINOS_PRISTINE_PATH} ${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/configure-testbeds-jenkins-all TestCompare ${QUEUE}
diff --git a/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel
deleted file mode 100755
index 04f1378cec6726503541cf52838630f990267548..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel
+++ /dev/null
@@ -1,63 +0,0 @@
-#!/bin/bash -el
-ulimit -c 0
-module load devpack/20171203/openmpi/2.1.2/intel/18.1.163
-# Trilinos now requires cmake version >= 3.10.0
-module swap cmake/3.9.0 cmake/3.10.2
-
-KOKKOS_BRANCH=$1
-TRILINOS_UPDATE_BRANCH=$2
-TRILINOS_PRISTINE_BRANCH=$3
-
-if [ -z $KOKKOS_BRANCH ]
-then
-  KOKKOS_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_UPDATE_BRANCH ]
-then
-  TRILINOS_UPDATE_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_PRISTINE_BRANCH ]
-then
-  TRILINOS_PRISTINE_BRANCH=develop
-fi
-
-export OMP_NUM_THREADS=8
-export JENKINS_DO_CUDA=OFF
-export JENKINS_DO_OPENMP=OFF
-export JENKINS_DO_PTHREAD=OFF
-export JENKINS_DO_SERIAL=ON
-export JENKINS_DO_COMPLEX=ON
-
-export JENKINS_ARCH=SKX
-export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX512 -mkl"
-export JENKINS_ARCH_C_FLAG="-xCORE-AVX512 -mkl"
-export BLAS_LIBRARIES="-mkl;${MKLROOT}/lib/intel64/libmkl_intel_lp64.a;${MKLROOT}/lib/intel64/libmkl_intel_thread.a;${MKLROOT}/lib/intel64/libmkl_core.a"
-export LAPACK_LIBRARIES=${BLAS_LIBRARIES}
-
-export JENKINS_DO_TESTS=ON
-export JENKINS_DO_EXAMPLES=ON
-export JENKINS_DO_SHARED=ON
-
-export QUEUE=blake
-
-
-module load python
-
-
-export KOKKOS_PATH=${PWD}/kokkos
-
-#Already done:
-if [ ! -d "${KOKKOS_PATH}" ]; then
-  git clone https://github.com/kokkos/kokkos ${KOKKOS_PATH}
-fi
-
-cd ${KOKKOS_PATH}
-git checkout $KOKKOS_BRANCH
-git pull
-cd ..
-
-source ${KOKKOS_PATH}/scripts/trilinos-integration/prepare_trilinos_repos.sh $TRILINOS_UPDATE_BRANCH $TRILINOS_PRISTINE_BRANCH
-
-${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/run_repo_comparison_slurm ${TRILINOS_UPDATED_PATH} ${TRILINOS_PRISTINE_PATH} ${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/configure-testbeds-jenkins-all TestCompare ${QUEUE}
diff --git a/lib/kokkos/scripts/trilinos-integration/checkin-test b/lib/kokkos/scripts/trilinos-integration/checkin-test
deleted file mode 100644
index ffb565fcbbbb85f881053828d34208bd8e4b9e7e..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/checkin-test
+++ /dev/null
@@ -1,4 +0,0 @@
-module purge
-module load sems-env sems-gcc/4.9.3 sems-openmpi/1.10.1 sems-hdf5/1.8.12/parallel sems-netcdf/4.3.2/parallel sems-python/2.7.9 sems-zlib/1.2.8/base sems-cmake/3.5.2 sems-parmetis/4.0.3/64bit_parallel sems-scotch/6.0.3/nopthread_64bit_parallel sems-boost/1.63.0/base sems-yaml_cpp sems-superlu
-
-#Run Trilinos CheckinTest
diff --git a/lib/kokkos/scripts/trilinos-integration/prepare_trilinos_repos.sh b/lib/kokkos/scripts/trilinos-integration/prepare_trilinos_repos.sh
deleted file mode 100755
index 31b2ad21bdc1b8daea4d67ab7b203f47c614dc42..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/prepare_trilinos_repos.sh
+++ /dev/null
@@ -1,59 +0,0 @@
-#!/bin/bash -le
-
-TRILINOS_UPDATE_BRANCH=$1
-TRILINOS_PRISTINE_BRANCH=$2
-
-if [ -z $TRILINOS_UPDATE_BRANCH ]
-then
-  TRILINOS_UPDATE_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_PRISTINE_BRANCH ]
-then
-  TRILINOS_PRISTINE_BRANCH=develop
-fi
-
-export TRILINOS_UPDATED_PATH=${PWD}/trilinos-update
-export TRILINOS_PRISTINE_PATH=${PWD}/trilinos-pristine
-
-#rm -rf ${KOKKOS_PATH}
-#rm -rf ${TRILINOS_UPDATED_PATH}
-#rm -rf ${TRILINOS_PRISTINE_PATH}
-
-#Already done:
-if [ ! -d "${TRILINOS_UPDATED_PATH}" ]; then
-  git clone https://github.com/trilinos/trilinos ${TRILINOS_UPDATED_PATH}
-fi
-if [ ! -d "${TRILINOS_PRISTINE_PATH}" ]; then
-  git clone https://github.com/trilinos/trilinos ${TRILINOS_PRISTINE_PATH}
-fi
-
-cd ${TRILINOS_UPDATED_PATH}
-git checkout $TRILINOS_UPDATE_BRANCH
-git reset --hard origin/$TRILINOS_UPDATE_BRANCH
-git pull
-cd ..
-
-python kokkos/scripts/snapshot.py ${KOKKOS_PATH} ${TRILINOS_UPDATED_PATH}/packages
-
-cd ${TRILINOS_UPDATED_PATH}
-echo ""
-echo ""
-echo "Trilinos State:"
-git log --pretty=oneline --since=7.days
-cd ..
-
-cd ${TRILINOS_PRISTINE_PATH}
-git status
-echo "Checkout $TRILINOS_PRISTINE_BRANCH"
-git checkout $TRILINOS_PRISTINE_BRANCH
-echo "Pull"
-git pull
-cd ..
-
-cd ${TRILINOS_PRISTINE_PATH}
-echo ""
-echo ""
-echo "Trilinos Pristine State:"
-git log --pretty=oneline --since=7.days
-cd ..
diff --git a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda
deleted file mode 100755
index 98900c3c9b9edf87737570c91f2d7f0c4345cb08..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda
+++ /dev/null
@@ -1,67 +0,0 @@
-#!/bin/bash -el
-ulimit -c 0
-
-KOKKOS_BRANCH=$1
-TRILINOS_UPDATE_BRANCH=$2
-TRILINOS_PRISTINE_BRANCH=$3
-
-if [ -z $KOKKOS_BRANCH ]
-then
-  KOKKOS_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_UPDATE_BRANCH ]
-then
-  TRILINOS_UPDATE_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_PRISTINE_BRANCH ]
-then
-  TRILINOS_PRISTINE_BRANCH=develop
-fi
-
-module load devpack/20180521/openmpi/2.1.2/gcc/7.2.0/cuda/9.2.88
-module swap openblas/0.2.20/gcc/7.2.0 netlib/3.8.0/gcc/7.2.0
-# Trilinos now requires cmake version >= 3.10.0
-module swap cmake/3.9.6 cmake/3.12.3
-export OMP_NUM_THREADS=8
-export JENKINS_DO_CUDA=ON
-export JENKINS_DO_OPENMP=OFF
-export JENKINS_DO_PTHREAD=OFF
-export JENKINS_DO_SERIAL=ON
-export JENKINS_DO_COMPLEX=OFF
-
-export JENKINS_ARCH="Power8,Kepler37"
-export JENKINS_ARCH_CXX_FLAG="-mcpu=power8 -arch=sm_37"
-export JENKINS_ARCH_C_FLAG="-mcpu=power8"
-export BLAS_LIBRARIES="${BLAS_ROOT}/lib/libblas.a;gfortran;gomp"
-export LAPACK_LIBRARIES="${LAPACK_ROOT}/lib/liblapack.a;gfortran;gomp"
-
-export JENKINS_DO_TESTS=ON
-export JENKINS_DO_EXAMPLES=ON
-
-export QUEUE=rhel7F
-
-module load python
-
-export KOKKOS_PATH=${PWD}/kokkos
-
-#Already done:
-if [ ! -d "${KOKKOS_PATH}" ]; then
-  git clone https://github.com/kokkos/kokkos ${KOKKOS_PATH}
-fi
-
-export OMPI_CXX=${KOKKOS_PATH}/bin/nvcc_wrapper
-
-cd ${KOKKOS_PATH}
-git checkout $KOKKOS_BRANCH
-git pull
-cd ..
-
-export CUDA_LAUNCH_BLOCKING=1
-export CUDA_MANAGED_FORCE_DEVICE_ALLOC=1
-
-source ${KOKKOS_PATH}/scripts/trilinos-integration/prepare_trilinos_repos.sh $TRILINOS_UPDATE_BRANCH $TRILINOS_PRISTINE_BRANCH
-
-${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/run_repo_comparison_lsf ${TRILINOS_UPDATED_PATH} ${TRILINOS_PRISTINE_PATH} ${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/configure-testbeds-jenkins-all TestCompare ${QUEUE}
-
diff --git a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp
deleted file mode 100755
index 9c5244cd353a35c95ffcaeab805b39eb1ed7788b..0000000000000000000000000000000000000000
--- a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp
+++ /dev/null
@@ -1,62 +0,0 @@
-#!/bin/bash -el
-ulimit -c 0
-
-KOKKOS_BRANCH=$1
-TRILINOS_UPDATE_BRANCH=$2
-TRILINOS_PRISTINE_BRANCH=$3
-
-if [ -z $KOKKOS_BRANCH ]
-then
-  KOKKOS_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_UPDATE_BRANCH ]
-then
-  TRILINOS_UPDATE_BRANCH=develop
-fi
-
-if [ -z $TRILINOS_PRISTINE_BRANCH ]
-then
-  TRILINOS_PRISTINE_BRANCH=develop
-fi
-
-module load devpack/20180521/openmpi/2.1.2/gcc/7.2.0/cuda/9.2.88
-module swap openblas/0.2.20/gcc/7.2.0 netlib/3.8.0/gcc/7.2.0
-# Trilinos now requires cmake version >= 3.10.0
-module swap cmake/3.9.6 cmake/3.12.3
-export OMP_NUM_THREADS=8
-export JENKINS_DO_CUDA=OFF
-export JENKINS_DO_OPENMP=ON
-export JENKINS_DO_PTHREAD=OFF
-export JENKINS_DO_SERIAL=OFF
-export JENKINS_DO_COMPLEX=OFF
-
-export JENKINS_ARCH="Power8"
-export JENKINS_ARCH_CXX_FLAG="-mcpu=power8"
-export JENKINS_ARCH_C_FLAG="-mcpu=power8"
-export BLAS_LIBRARIES="${BLAS_ROOT}/lib/libblas.a;gfortran;gomp"
-export LAPACK_LIBRARIES="${LAPACK_ROOT}/lib/liblapack.a;gfortran;gomp"
-
-export JENKINS_DO_TESTS=ON
-export JENKINS_DO_EXAMPLES=ON
-
-export QUEUE=rhel7F
-
-module load python
-
-export KOKKOS_PATH=${PWD}/kokkos
-
-#Already done:
-if [ ! -d "${KOKKOS_PATH}" ]; then
-  git clone https://github.com/kokkos/kokkos ${KOKKOS_PATH}
-fi
-
-cd ${KOKKOS_PATH}
-git checkout $KOKKOS_BRANCH
-git pull
-cd ..
-
-source ${KOKKOS_PATH}/scripts/trilinos-integration/prepare_trilinos_repos.sh $TRILINOS_UPDATE_BRANCH $TRILINOS_PRISTINE_BRANCH
-
-${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/run_repo_comparison_lsf ${TRILINOS_UPDATED_PATH} ${TRILINOS_PRISTINE_PATH} ${TRILINOS_UPDATED_PATH}/sampleScripts/Sandia-SEMS/configure-testbeds-jenkins-all TestCompare ${QUEUE}
-
diff --git a/lib/message/cslib/src/STUBS_MPI/mpi.h b/lib/message/cslib/src/STUBS_MPI/mpi_dummy.h
similarity index 100%
rename from lib/message/cslib/src/STUBS_MPI/mpi.h
rename to lib/message/cslib/src/STUBS_MPI/mpi_dummy.h
diff --git a/lib/message/cslib/src/cslib.cpp b/lib/message/cslib/src/cslib.cpp
index 874333607e5af076a4b6c73959127bbc7f2c9653..336ba87588dbdd567673b22e93e1fdc9f110a12a 100644
--- a/lib/message/cslib/src/cslib.cpp
+++ b/lib/message/cslib/src/cslib.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <stdio.h>
 #include <string.h>
 #include <stdlib.h>
diff --git a/lib/message/cslib/src/cslib_wrap.cpp b/lib/message/cslib/src/cslib_wrap.cpp
index c2d69eaf0d62863b1226f1d7119a627dd59c741a..64b4d53b25fbb297c9cc85cc8860086f4ff6d6dc 100644
--- a/lib/message/cslib/src/cslib_wrap.cpp
+++ b/lib/message/cslib/src/cslib_wrap.cpp
@@ -14,7 +14,11 @@
 
 // C style library interface to CSlib class
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <string.h>
 #include <stdio.h>
 #include <stdlib.h>
diff --git a/lib/message/cslib/src/msg.cpp b/lib/message/cslib/src/msg.cpp
index da22c818505c5dc6fc65df3b50c8605aab5c4622..ff654ecbcf17d740e78dd7f74b4cfedd5bcab649 100644
--- a/lib/message/cslib/src/msg.cpp
+++ b/lib/message/cslib/src/msg.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <cstdio>
 #include <cstring>
 #include <cstdlib>
diff --git a/lib/message/cslib/src/msg.h b/lib/message/cslib/src/msg.h
index f75942b027827e5f61a00837f95419e64bde1b94..81c2d21cb946a67ac8763a757d548c8b957a6fbc 100644
--- a/lib/message/cslib/src/msg.h
+++ b/lib/message/cslib/src/msg.h
@@ -15,7 +15,11 @@
 #ifndef MSG_H
 #define MSG_H
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 
 namespace CSLIB_NS {
 
@@ -37,7 +41,7 @@ class Msg {
   int nfield;
   int *fieldID,*fieldtype,*fieldlen;
   int lengths[2];
-  
+
   void init(int);
   void allocate(int, int &, int *&, int, int &, char *&);
   void *smalloc(int);
diff --git a/lib/message/cslib/src/msg_file.cpp b/lib/message/cslib/src/msg_file.cpp
index d97e249fad7efdbc3228c6b463995facc315c7f3..31cdfef544de83ce79d3dfb6b8a7a76fcc246ceb 100644
--- a/lib/message/cslib/src/msg_file.cpp
+++ b/lib/message/cslib/src/msg_file.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <stdio.h>
 #include <string.h>
 #include <stdlib.h>
diff --git a/lib/message/cslib/src/msg_mpi_one.cpp b/lib/message/cslib/src/msg_mpi_one.cpp
index db11735b277699dd08f30c7b8ec112050779fa19..c6fbd8732f84c5d64c1fdef77f620012f255ca02 100644
--- a/lib/message/cslib/src/msg_mpi_one.cpp
+++ b/lib/message/cslib/src/msg_mpi_one.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <string.h>
 #include <stdlib.h>
 #include <stdint.h>
diff --git a/lib/message/cslib/src/msg_mpi_two.cpp b/lib/message/cslib/src/msg_mpi_two.cpp
index e9a9e87eeba99b802554383473ba806e179dab06..2a4fa65ff75d1ce8e1991fb8c16db932d462590e 100644
--- a/lib/message/cslib/src/msg_mpi_two.cpp
+++ b/lib/message/cslib/src/msg_mpi_two.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <string.h>
 #include <stdlib.h>
 #include <stdint.h>
diff --git a/lib/message/cslib/src/msg_zmq.cpp b/lib/message/cslib/src/msg_zmq.cpp
index c2d408f3a5d73a35330b951e4d150d5312dea727..8bee3aebde6e1f710787c2722c7336446896e0f4 100644
--- a/lib/message/cslib/src/msg_zmq.cpp
+++ b/lib/message/cslib/src/msg_zmq.cpp
@@ -12,7 +12,11 @@
    See the README file in the top-level CSlib directory.
 ------------------------------------------------------------------------- */
 
+#ifdef MPI_YES
 #include <mpi.h>
+#else
+#include <mpi_dummy.h>
+#endif
 #include <zmq.h>
 #include <string.h>
 #include <stdlib.h>
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 70296b35d3f8c29ea7db77d0a4df78bb82200857..3623a8cff0dea199936f0a34808293cc64394de8 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -17,7 +17,7 @@ parser = ArgumentParser(prog='Install.py',
 
 # settings
 
-version = "2.4.4"
+version = "2.5.1"
 mode = "static"
 
 # help message
@@ -43,6 +43,7 @@ checksums = { \
         '2.4.3' : 'b1be7c48971627febc11c61b70767fc5', \
         '2.4.4' : '71ed465bdc7c2059e282dbda8d564e71', \
         '2.5.0' : '6224cd089493661e19ceacccd35cf911', \
+        '2.5.1' : 'c2a7b519e32197a120cdf47e0f194f81', \
         }
 
 # parse and process arguments
@@ -67,6 +68,7 @@ if not args.build and not args.path:
 buildflag = args.build
 pathflag = args.path is not None
 plumedpath = args.path
+mode = args.mode
 
 homepath = fullpath('.')
 homedir = "%s/plumed2" % (homepath)
@@ -75,6 +77,8 @@ if pathflag:
     if not os.path.isdir(plumedpath):
       sys.exit("Plumed2 path %s does not exist" % plumedpath)
     homedir = fullpath(plumedpath)
+    if not os.path.isdir(os.path.join(homedir, 'include', 'plumed', 'core')):
+      sys.exit("No Plumed2 installation found at %s" % plumedpath)
 
 # download and unpack plumed2 tarball
 
@@ -127,7 +131,7 @@ if os.path.isfile("Makefile.lammps.%s" % mode):
   lines1 = open(plumedinc, 'r').readlines()
   lines2 = open("Makefile.lammps.%s" % mode, 'r').readlines()
   fp = open("Makefile.lammps", 'w')
-  fp.write(os.path.join("PLUMED_LIBDIR=", homedir, "lib\n"))
+  fp.write("PLUMED_LIBDIR=" + os.path.join(homedir, "lib\n"))
   for line in lines1:
     fp.write(line)
   for line in lines2:
diff --git a/potentials/C.drip b/potentials/C.drip
new file mode 100644
index 0000000000000000000000000000000000000000..435efe40a91b7184cb16aa57c1c7c9a288ddf14a
--- /dev/null
+++ b/potentials/C.drip
@@ -0,0 +1,19 @@
+# DATE: 2019-04-19 CONTRIBUTOR: Mingjian Wen, wenxx151@umn.edu
+#
+# Parameters of the Dihedral-angle-corrected registry-dependent interlayer (DRIP)
+# potential for multilayer graphene structures.
+#
+# Cite as M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor, Phys. Rev. B, 98, 235404 (2018).
+
+
+#        C0           C2          C4          C         delta     lambda     A        z0       B         eta  rho_cut r_cut normal_cut
+C  C  1.1598e-02  1.2981e-02  3.2515e-02  7.8151e-03  8.3679e-01  2.7158  2.2216e-02  3.34  7.6799e-03  1.1432  1.562  12.0  3.7
+
+
+# C0, C2, C4, C, A, and B in [eV]
+# delta, z0, eta, rho_cut, r_cut, and normal_cut in [Angstrom]
+# lambda in [1/Angstrom]
+#
+# normal_cut is a parameter not present in the Wen paper, but specific to the
+# LAMMPS implementation, which is used to find the 3 nearest neighbors of an
+# atom to construct the normal.
diff --git a/potentials/CH.rebo b/potentials/CH.rebo
new file mode 100644
index 0000000000000000000000000000000000000000..08b1b19dc217c3fa96b626d44bb9237495c68e8d
--- /dev/null
+++ b/potentials/CH.rebo
@@ -0,0 +1,37595 @@
+# DATE: 2018-7-3 CONTRIBUTOR: Cyril Falvo, cyril.falvo@u-psud.fr 
+# REBO2 Brenner potential modified from CH.airebo
+# Cite as  D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni, and S. B. Sinnott,
+# "A second- generation reactive empirical bond order (rebo) potential energy expression for hydrocarbons.",
+# J. Phys. Cond. Mat., 14:783, 2002.
+
+1.7	     rcmin_CC 
+1.3	     rcmin_CH 
+1.1	     rcmin_HH 
+2.0	     rcmax_CC 
+1.8	     rcmax_CH 
+1.7	     rcmax_HH 
+2.0	     rcmaxp_CC 
+1.6	     rcmaxp_CH 
+1.7	     rcmaxp_HH 
+0.1	     smin 
+2.0	     Nmin 
+3.0	     Nmax 
+3.2	     NCmin 
+3.7	     NCmax 
+0.3134602960833     Q_CC 
+0.340775728     Q_CH 
+0.370471487045     Q_HH 
+4.7465390606595    alpha_CC 
+4.10254983    alpha_CH 
+3.536298648          alpha_HH 
+10953.544162170    A_CC 
+149.94098723     A_CH 
+32.817355747         A_HH 
+12388.79197798    BIJc_CC1 
+17.56740646509    BIJc_CC2 
+30.71493208065    BIJc_CC3 
+32.3551866587    BIJc_CH1 
+0.0	     BIJc_CH2 
+0.0	     BIJc_CH3 
+29.632593    BIJc_HH1 
+0.0	     BIJc_HH2 
+0.0	     BIJc_HH3 
+4.7204523127    Beta_CC1 
+1.4332132499    Beta_CC2 
+1.3826912506    Beta_CC3 
+1.434458059249837    Beta_CH1 
+0.0	     Beta_CH2 
+0.0	     Beta_CH3 
+1.71589217   Beta_HH1 
+1.0 	     Beta_HH2 
+1.0	     Beta_HH3 
+0.0	     rho_CC 
+1.09	     rho_CH 
+0.7415887    rho_HH 
+3.4	     rcLJmin_CC 
+3.025	     rcLJmin_CH 
+2.65	     rcLJmin_HH 
+3.816370964  rcLJmax_CC 
+3.395447696  rcLJmax_CH 
+2.974524428  rcLJmax_HH 
+0.77	     bLJmin_CC 
+0.75	     bLJmin_CH 
+0.32	     bLJmin_HH 
+0.81	     bLJmax_CC 
+0.9	     bLJmax_CH 
+0.42	     bLJmax_HH
+0.002843732471143 epsilon_CC
+0.002064935027177 epsilon_CH
+0.001499422575693 epsilon_HH
+3.4	     sigma_CC 
+3.025	     sigma_CH 
+2.65	     sigma_HH 
+0.3078851086 epsilonT_CCCC      
+0.1786600912 epsilonT_CCCH             
+0.1249753356 epsilonT_HCCH 
+
+# gC1 and gC2
+
+5
+-1.0  
+-0.6666666667 
+-0.5 
+-0.3333333333  
+1.0
+
+        0.2816950000
+        1.0627430000
+        2.1363075000
+        2.5334145000
+        1.5544035000
+        0.3862485000
+        0.2827390000
+        1.0718770000
+        2.1681365000
+        2.5885710000
+        1.6019100000
+        0.4025160000
+        0.6900250000
+        5.4601600000
+       23.0108000000
+       54.9086400000
+       68.6124000000
+       34.7051520000
+        0.2718560918
+        0.4892740137
+       -0.4328177539
+       -0.5616817383
+        1.2708702246
+       -0.0375008379
+
+        0.2816950000
+        1.0627430000
+        2.1363075000
+        2.5334145000
+        1.5544035000
+        0.3862485000
+        0.2827390000
+        1.0718770000
+        2.1681365000
+        2.5885710000
+        1.6019100000
+        0.4025160000
+        0.6900250000
+        5.4601600000
+       23.0108000000
+       54.9086400000
+       68.6124000000
+       34.7051520000
+        0.3754514434
+        1.4072691309
+        2.2551320117
+        2.0288747461
+        1.4269207324
+        0.5063519355
+
+# gH
+
+4
+-1.0
+-0.8333333333 
+-0.5 
+1.0
+
+      270.4568000026
+     1549.6358000143
+     3781.7719000316
+     4582.1544000348
+     2721.4308000191
+      630.6336000042
+       16.9534406250
+      -21.0823875000
+     -102.4683000000
+     -210.6432299999
+     -229.8471299999
+      -94.9946400000
+       19.0650249321
+        2.0177562840
+       -2.5664219198
+        3.2913322346
+       -2.6535615062
+        0.8376699753
+
+# pCC
+
+4
+0.0
+4.0 
+0.0
+4.0
+
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+       -0.0986400000
+        0.0657600000
+        0.0000000000
+        0.0000000000
+        0.0657600000
+       -0.0438400000
+       -0.0025000000
+        0.0060000000
+       -0.0045000000
+        0.0010000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.2339100000
+       -0.6402960000
+        0.4802220000
+       -0.1067160000
+       -0.1559400000
+        0.4268640000
+       -0.3201480000
+        0.0711440000
+        0.4650000000
+       -0.5985000000
+        0.2493750000
+       -0.0332500000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+       -1.9074060000
+        2.4787080000
+       -1.0327950000
+        0.1377060000
+        1.2716040000
+       -1.6524720000
+        0.6885300000
+       -0.0918040000
+       -1.2900000000
+        1.1610000000
+       -0.3386250000
+        0.0322500000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        3.8700000000
+       -3.4830000000
+        1.0158750000
+       -0.0967500000
+       -2.5800000000
+        2.3220000000
+       -0.6772500000
+        0.0645000000
+       -0.1380150000
+        0.0000000000
+        0.5932650000
+       -0.3955100000
+        0.3312360000
+        0.0000000000
+       -1.5027480000
+        1.0018320000
+       -0.2484270000
+        0.0000000000
+        1.1270610000
+       -0.7513740000
+        0.0552060000
+        0.0000000000
+       -0.2504580000
+        0.1669720000
+       -0.3654800000
+        1.0205280000
+       -0.7653960000
+        0.1700880000
+        1.0582800000
+       -2.9471040000
+        2.2103280000
+       -0.4911840000
+       -0.7937100000
+        2.2103280000
+       -1.6577460000
+        0.3683880000
+        0.1763800000
+       -0.4911840000
+        0.3683880000
+       -0.0818640000
+        0.6832080000
+       -0.9109440000
+        0.3795600000
+       -0.0506080000
+       -2.0496240000
+        2.7328320000
+       -1.1386800000
+        0.1518240000
+        1.5372180000
+       -2.0496240000
+        0.8540100000
+       -0.1138680000
+       -0.3416040000
+        0.4554720000
+       -0.1897800000
+        0.0253040000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.7452810000
+        0.0000000000
+       -2.4934230000
+        1.6622820000
+       -0.9937080000
+        0.0000000000
+        3.3245640000
+       -2.2163760000
+        0.4140450000
+        0.0000000000
+       -1.3852350000
+        0.9234900000
+       -0.0552060000
+        0.0000000000
+        0.1846980000
+       -0.1231320000
+        0.3434400000
+       -1.0303200000
+        0.7727400000
+       -0.1717200000
+       -0.4579200000
+        1.3737600000
+       -1.0303200000
+        0.2289600000
+        0.1908000000
+       -0.5724000000
+        0.4293000000
+       -0.0954000000
+       -0.0254400000
+        0.0763200000
+       -0.0572400000
+        0.0127200000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+
+# pCH
+
+4
+0.0 
+4.0 
+0.0 
+4.0
+
+        0.0000000000
+        0.0000000000
+        0.6280110000
+       -0.4186740000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0300000000
+        0.0000000000
+       -3.1001400000
+        2.0667600000
+       -0.0200000000
+        0.0000000000
+        2.0667600000
+       -1.3778400000
+       -1.1595980000
+        3.2854440000
+       -2.4640830000
+        0.5475740000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.4966950000
+       -3.6001800000
+        2.7001350000
+       -0.6000300000
+       -0.3311300000
+        2.4001200000
+       -1.8000900000
+        0.4000200000
+       -6.7698340000
+        8.6212080000
+       -3.5921700000
+        0.4789560000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+       44.5208070000
+      -58.1453640000
+       24.2272350000
+       -3.2302980000
+      -29.6805380000
+       38.7635760000
+      -16.1514900000
+        2.1535320000
+       24.3142400000
+      -21.8828160000
+        6.3824880000
+       -0.6078560000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+        0.0000000000
+      -72.9427200000
+       65.6484480000
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diff --git a/potentials/Ta06A.snapparam b/potentials/Ta06A.snapparam
index 283629d6581651d070f84e785534c87ede8391aa..629d96d708df2009b9ac7602d11fe805d600d21c 100644
--- a/potentials/Ta06A.snapparam
+++ b/potentials/Ta06A.snapparam
@@ -10,6 +10,5 @@ twojmax 6
 
 rfac0 0.99363
 rmin0 0
-diagonalstyle 3
 bzeroflag 0
 quadraticflag 0
diff --git a/potentials/W_2940_2017_2.snapparam b/potentials/W_2940_2017_2.snapparam
index 27ab61a266922fd37687c73ea6f212385f9e1a79..49f3094d082c4e5f4124a9b01719c7aa0e643eac 100644
--- a/potentials/W_2940_2017_2.snapparam
+++ b/potentials/W_2940_2017_2.snapparam
@@ -8,6 +8,5 @@ twojmax 8
 
 rfac0 0.99363
 rmin0 0
-diagonalstyle 3
 bzeroflag 0
 quadraticflag 0
diff --git a/python/README b/python/README
index 6b13959f4d3b3f132f03aa095542d45e18705ecc..204ca2c28d02196007c70170c524726d6875ecac 100644
--- a/python/README
+++ b/python/README
@@ -9,12 +9,12 @@ doc/Section_python.html and in doc/Section_start.html#start_5.
 Basically you need to follow these steps in the src directory:
 
 % make g++ mode=shlib           # build for whatever machine target you wish
-% make install-python           # may need to do this via sudo
+% make install-python           # install into site-packages folder
 
 You can replace the last step by a one-time setting of environment
 variables in your shell script.  Or you can run the python/install.py
 script directly to give you more control over where the two relevant
-files are installed.  See doc/Section_python.html for details.
+files are installed.  See doc/Python_install.html for details.
 
 You should then be able to launch Python and instantiate an instance
 of LAMMPS:
diff --git a/python/install.py b/python/install.py
index 9308506fd226cc93b0eee5641c5e11654d9ebff4..7f7062103a7a39924fde9176a9b357d65ee9d3b8 100644
--- a/python/install.py
+++ b/python/install.py
@@ -1,56 +1,96 @@
 #!/usr/bin/env python
 
-# copy LAMMPS src/liblammps.so and lammps.py to system dirs
-
-from __future__ import print_function
-
-instructions = """
-Syntax: python install.py [-h] [pydir]
-        pydir = target dir for lammps.py and liblammps.so
-                default = Python site-packages dir
+"""
+Installer script to install the LAMMPS python module and the corresponding
+shared library into either the system-wide site-packages tree, or - failing
+that - into the corresponding user tree. Called from the 'install-python'
+build target in the conventional and CMake based build systems
 """
 
-import sys,os,shutil
-
-if (len(sys.argv) > 1 and sys.argv[1] == "-h") or len(sys.argv) > 2:
-  print(instructions)
-  sys.exit()
-
-if len(sys.argv) == 2: pydir = sys.argv[1]
-else: pydir = ""
-
-# copy lammps.py to pydir if it exists
-# if pydir not specified, install in site-packages via distutils setup()
+# copy LAMMPS shared library and lammps.py to system dirs
 
-if pydir:
-  if not os.path.isdir(pydir):
-    print( "ERROR: pydir %s does not exist" % pydir)
-    sys.exit()
-  str = "cp ../python/lammps.py %s" % pydir
-  print(str)
+from __future__ import print_function
+import sys,os,shutil
+from argparse import ArgumentParser
+
+parser = ArgumentParser(prog='install.py',
+                        description='LAMMPS python module installer script')
+
+parser.add_argument("-m", "--module", required=True,
+                    help="path to the source of the LAMMPS Python module")
+parser.add_argument("-l", "--lib", required=True,
+                    help="path to the compiled LAMMPS shared library")
+parser.add_argument("-v", "--version", required=True,
+                    help="path to the LAMMPS version.h header file")
+
+parser.add_argument("-d","--dir",
+                    help="Legacy custom installation folder selection for module and library")
+
+args = parser.parse_args()
+
+# validate arguments and make paths absolute
+
+if args.module:
+  if not os.path.exists(args.module):
+    print( "ERROR: LAMMPS module file %s does not exist" % args.module)
+    parser.print_help()
+    sys.exit(1)
+  else:
+    args.module = os.path.abspath(args.module)
+
+if args.lib:
+  if not os.path.exists(args.lib):
+    print( "ERROR: LAMMPS shared library %s does not exist" % args.lib)
+    parser.print_help()
+    sys.exit(1)
+  else:
+    args.lib = os.path.abspath(args.lib)
+
+if args.version:
+  if not os.path.exists(args.version):
+    print( "ERROR: LAMMPS version header file %s does not exist" % args.version)
+    parser.print_help()
+    sys.exit(1)
+  else:
+    args.version = os.path.abspath(args.version)
+
+if args.dir:
+  if not os.path.isdir(args.dir):
+    print( "ERROR: Installation folder %s does not exist" % args.dir)
+    parser.print_help()
+    sys.exit(1)
+  else:
+    args.dir = os.path.abspath(args.dir)
+
+# if a custom directory is given, we copy the files directly
+# without any special processing or additional steps to that folder
+
+if args.dir:
+  print("Copying LAMMPS Python module to custom folder %s" % args.dir)
   try:
-    shutil.copyfile("../python/lammps.py", os.path.join(pydir,'lammps.py') )
+    shutil.copyfile(args.module, os.path.join(args.dir,'lammps.py'))
   except shutil.Error:
-    pass # source and destination are identical
+    pass # fail silently
 
-  str = "cp ../src/liblammps.so %s" % pydir
-  print(str)
+  print("Copying LAMMPS shared library to custom folder %s" % args.dir)
   try:
-     shutil.copyfile("../src/liblammps.so", os.path.join(pydir,"liblammps.so") )
+    shutil.copyfile(args.lib, os.path.join(args.dir,os.path.basename(args.lib)))
   except shutil.Error:
-    pass # source and destination are identical
-  sys.exit()
-  
-print("installing lammps.py in Python site-packages dir")
+    pass # fail silently
 
-os.chdir('../python')                # in case invoked via make in src dir
+  sys.exit()
 
 # extract version string from header
-fp = open('../src/version.h','r')
+fp = open(args.version,'r')
 txt=fp.read().split('"')[1].split()
 verstr=txt[0]+txt[1]+txt[2]
 fp.close()
 
+print("Installing LAMMPS Python module version %s into site-packages folder" % verstr)
+
+# we need to switch to the folder of the python module
+os.chdir(os.path.dirname(args.module))
+
 from distutils.core import setup
 from distutils.sysconfig import get_python_lib
 import site
@@ -62,28 +102,26 @@ try:
         version = verstr,
         author = "Steve Plimpton",
         author_email = "sjplimp@sandia.gov",
-        url = "http://lammps.sandia.gov",
-        description = "LAMMPS molecular dynamics library",
+        url = "https://lammps.sandia.gov",
+        description = "LAMMPS Molecular Dynamics Python module",
+        license = "GPL",
         py_modules = ["lammps"],
-        data_files = [(get_python_lib(), ["../src/liblammps.so"])])
+        data_files = [(get_python_lib(), [args.lib])])
 except:
   tryuser=True
-  print ("Installation into global site-packages dir failed.\nTrying user site dir %s now." % site.USER_SITE)
-
+  print ("Installation into global site-packages folder failed.\nTrying user folder %s now." % site.USER_SITE)
 
 if tryuser:
   try:
     sys.argv = ["setup.py","install","--user"]    # as if had run "python setup.py install --user"
     setup(name = "lammps",
-    version = verstr,
-    author = "Steve Plimpton",
-    author_email = "sjplimp@sandia.gov",
-    url = "http://lammps.sandia.gov",
-    description = "LAMMPS molecular dynamics library",
-    py_modules = ["lammps"],
-    data_files = [(site.USER_SITE, ["../src/liblammps.so"])])
-  except: 
-    print("Installation into user site package dir failed.\nGo to ../python and install manually.")
-
-
-
+          version = verstr,
+          author = "Steve Plimpton",
+          author_email = "sjplimp@sandia.gov",
+          url = "https://lammps.sandia.gov",
+          description = "LAMMPS Molecular Dynamics Python module",
+          license = "GPL",
+          py_modules = ["lammps"],
+          data_files = [(site.USER_SITE, [args.lib])])
+  except:
+    print("Installation into user site package folder failed.")
diff --git a/python/lammps.py b/python/lammps.py
index c393ee7ec7318ad77e49e0de281b81cad8a1a90f..9b3790f2dbb6bf46e5b55b4233ec29bed945b7f8 100644
--- a/python/lammps.py
+++ b/python/lammps.py
@@ -85,14 +85,19 @@ class lammps(object):
     # fall back to loading with a relative path,
     #   typically requires LD_LIBRARY_PATH to be set appropriately
 
+    if any([f.startswith('liblammps') and f.endswith('.dylib') for f in os.listdir(modpath)]):
+      lib_ext = ".dylib"
+    else:
+      lib_ext = ".so"
+
     if not self.lib:
       try:
-        if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL)
-        else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),
+        if not name: self.lib = CDLL(join(modpath,"liblammps" + lib_ext),RTLD_GLOBAL)
+        else: self.lib = CDLL(join(modpath,"liblammps_%s" % name + lib_ext),
                               RTLD_GLOBAL)
       except:
-        if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL)
-        else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL)
+        if not name: self.lib = CDLL("liblammps" + lib_ext,RTLD_GLOBAL)
+        else: self.lib = CDLL("liblammps_%s" % name + lib_ext,RTLD_GLOBAL)
 
     # define ctypes API for each library method
     # NOTE: should add one of these for each lib function
diff --git a/src/.gitignore b/src/.gitignore
index 9670d1ca20af2ba29b5428a9e12c0547b75f7707..c79c958e6d8b389c643429e781a1224fe312cd3c 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -5,7 +5,9 @@
 /lmp_*
 
 /style_*.h
+/packages_*.h
 /lmpinstalledpkgs.h
+/lmpgitversion.h
 
 /*_gpu.h
 /*_gpu.cpp
@@ -25,6 +27,11 @@
 /*_ssa.h
 /*_ssa.cpp
 
+/kim_query.cpp
+/kim_query.h
+/pair_kim.cpp
+/pair_kim.h
+
 /kokkos.cpp
 /kokkos.h
 /kokkos_type.h
@@ -144,14 +151,26 @@
 /compute_spin.h
 /fix_langevin_spin.cpp
 /fix_langevin_spin.h
+/fix_neb_spin.cpp
+/fix_neb_spin.h
 /fix_nve_spin.cpp
 /fix_nve_spin.h
 /fix_precession_spin.cpp
 /fix_precession_spin.h
+/fix_setforce_spin.cpp
+/fix_setforce_spin.h
+/min_spin.cpp
+/min_spin.h
+/neb_spin.cpp
+/neb_spin.h
 /pair_spin.cpp
 /pair_spin.h
 /pair_spin_dmi.cpp
 /pair_spin_dmi.h
+/pair_spin_dipole_cut.cpp
+/pair_spin_dipole_cut.h
+/pair_spin_dipole_long.cpp
+/pair_spin_dipole_long.h
 /pair_spin_exchange.cpp
 /pair_spin_exchange.h
 /pair_spin_magelec.cpp
@@ -181,6 +200,8 @@
 /angle_cosine_shift_exp.h
 /angle_cosine_squared.cpp
 /angle_cosine_squared.h
+/angle_cross.cpp
+/angle_cross.h
 /angle_dipole.cpp
 /angle_dipole.h
 /angle_fourier.cpp
@@ -189,6 +210,8 @@
 /angle_fourier_simple.h
 /angle_harmonic.cpp
 /angle_harmonic.h
+/angle_mm3.cpp
+/angle_mm3.h
 /angle_quartic.cpp
 /angle_quartic.h
 /angle_sdk.cpp
@@ -243,6 +266,8 @@
 /bond_harmonic_shift.h
 /bond_harmonic_shift_cut.cpp
 /bond_harmonic_shift_cut.h
+/bond_mm3.cpp
+/bond_mm3.h
 /bond_morse.cpp
 /bond_morse.h
 /bond_nonlinear.cpp
@@ -371,6 +396,8 @@
 /dihedral_table.h
 /dihedral_table_cut.cpp
 /dihedral_table_cut.h
+/dump_atom_adios.cpp
+/dump_atom_adios.h
 /dump_atom_gz.cpp
 /dump_atom_gz.h
 /dump_xyz_gz.cpp
@@ -381,6 +408,8 @@
 /dump_cfg_gz.h
 /dump_cfg_mpiio.cpp
 /dump_cfg_mpiio.h
+/dump_custom_adios.cpp
+/dump_custom_adios.h
 /dump_custom_gz.cpp
 /dump_custom_gz.h
 /dump_custom_mpiio.cpp
@@ -397,10 +426,16 @@
 /dump_xtc.h
 /dump_xyz_mpiio.cpp
 /dump_xyz_mpiio.h
+/dynamical_matrix.cpp
+/dynamical_matrix.h
 /ewald.cpp
 /ewald.h
 /ewald_cg.cpp
 /ewald_cg.h
+/ewald_dipole.cpp
+/ewald_dipole.h
+/ewald_dipole_spin.cpp
+/ewald_dipole_spin.h
 /ewald_disp.cpp
 /ewald_disp.h
 /ewald_n.cpp
@@ -439,6 +474,8 @@
 /fix_dpd_energy.h
 /fix_efield.cpp
 /fix_efield.h
+/fix_electron_stopping.cpp
+/fix_electron_stopping.h
 /fix_eos_cv.cpp
 /fix_eos_cv.h
 /fix_eos_table.cpp
@@ -677,6 +714,10 @@
 /improper_cvff.h
 /improper_distance.cpp
 /improper_distance.h
+/improper_distharm.cpp
+/improper_distharm.h
+/improper_sqdistharm.cpp
+/improper_sqdistharm.h
 /improper_fourier.cpp
 /improper_fourier.h
 /improper_harmonic.cpp
@@ -776,6 +817,10 @@
 /pair_dpd_mt.h
 /pair_dsmc.cpp
 /pair_dsmc.h
+/pair_e3b.cpp
+/pair_e3b.h
+/pair_drip.cpp
+/pair_drip.h
 /pair_eam.cpp
 /pair_eam.h
 /pair_eam_alloy.cpp
@@ -784,6 +829,10 @@
 /pair_eam_cd.h
 /pair_eam_fs.cpp
 /pair_eam_fs.h
+/fix_electron_stopping.cpp
+/fix_electron_stopping.h
+/pair_lebedeva_z.cpp
+/pair_lebedeva_z.h
 /pair_lj_expand_coul_long.cpp
 /pair_lj_expand_coul_long.h
 /pair_edip.cpp
@@ -799,6 +848,8 @@
 /pair_gauss_cut.h
 /pair_gayberne.cpp
 /pair_gayberne.h
+/pair_granular.cpp
+/pair_granular.h
 /pair_gran_easy.cpp
 /pair_gran_easy.h
 /pair_gran_hertz_history.cpp
@@ -817,14 +868,14 @@
 /pair_hbond_dreiding_morse.h
 /pair_ilp_graphene_hbn.cpp
 /pair_ilp_graphene_hbn.h
-/pair_kim.cpp
-/pair_kim.h
 /pair_kolmogorov_crespi_full.cpp
 /pair_kolmogorov_crespi_full.h
 /pair_kolmogorov_crespi_z.cpp
 /pair_kolmogorov_crespi_z.h
 /pair_lcbop.cpp
 /pair_lcbop.h
+/pair_lebedeva_z.cpp
+/pair_lebedeva_z.h
 /pair_line_lj.cpp
 /pair_line_lj.h
 /pair_list.cpp
@@ -843,8 +894,14 @@
 /pair_lj_class2.h
 /pair_lj_class2_coul_cut.cpp
 /pair_lj_class2_coul_cut.h
+/pair_lj_class2_coul_cut_soft.cpp
+/pair_lj_class2_coul_cut_soft.h
 /pair_lj_class2_coul_long.cpp
 /pair_lj_class2_coul_long.h
+/pair_lj_class2_coul_long_soft.cpp
+/pair_lj_class2_coul_long_soft.h
+/pair_lj_class2_soft.cpp
+/pair_lj_class2_soft.h
 /pair_lj_coul.cpp
 /pair_lj_coul.h
 /pair_coul_cut_soft.cpp
@@ -889,6 +946,8 @@
 /pair_lj_sdk_coul_msm.h
 /pair_lj_sf_dipole_sf.cpp
 /pair_lj_sf_dipole_sf.h
+/pair_lj_switch3_coulgauss_long.cpp
+/pair_lj_switch3_coulgauss_long.h
 /pair_lubricateU.cpp
 /pair_lubricateU.h
 /pair_lubricateU_poly.cpp
@@ -897,12 +956,12 @@
 /pair_lubricate_poly.h
 /pair_lubricate.cpp
 /pair_lubricate.h
-/pair_meam.cpp
-/pair_meam.h
 /pair_meam_spline.cpp
 /pair_meam_spline.h
 /pair_meam_sw_spline.cpp
 /pair_meam_sw_spline.h
+/pair_mm3_switch3_coulgauss_long.cpp
+/pair_mm3_switch3_coulgauss_long.h
 /pair_morse_soft.cpp
 /pair_morse_soft.h
 /pair_nb3b_harmonic.cpp
@@ -976,6 +1035,10 @@
 /pppm.h
 /pppm_cg.cpp
 /pppm_cg.h
+/pppm_dipole.cpp
+/pppm_dipole.h
+/pppm_dipole_spin.cpp
+/pppm_dipole_spin.h
 /pppm_disp.cpp
 /pppm_disp.h
 /pppm_disp_tip4p.cpp
@@ -1234,4 +1297,3 @@
 /pair_smtbq.h
 /pair_vashishta*.cpp
 /pair_vashishta*.h
-
diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp
index 857541957e6512ffad74bdccfb351c3a6a8acd0d..3d4ed3f183ae4a6ca88de16294b4e750320a8d26 100644
--- a/src/ASPHERE/pair_gayberne.cpp
+++ b/src/ASPHERE/pair_gayberne.cpp
@@ -94,8 +94,7 @@ void PairGayBerne::compute(int eflag, int vflag)
   double *iquat,*jquat;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   AtomVecEllipsoid::Bonus *bonus = avec->bonus;
   int *ellipsoid = atom->ellipsoid;
diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp
index 963ff985c478e3c29a2e11ed8bf3fc37dd5fe536..4873b44dc420e6a6b71e43a0fd681ae4a3d783ff 100644
--- a/src/ASPHERE/pair_line_lj.cpp
+++ b/src/ASPHERE/pair_line_lj.cpp
@@ -77,8 +77,7 @@ void PairLineLJ::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp
index c477b1b8cfbfdf1a4faa721831874bcb009a7ae1..b100a5f184fcd0a3d56161c9e64e2f24eb8b5446 100644
--- a/src/ASPHERE/pair_resquared.cpp
+++ b/src/ASPHERE/pair_resquared.cpp
@@ -85,8 +85,7 @@ void PairRESquared::compute(int eflag, int vflag)
   RE2Vars wi,wj;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp
index 142caf376425b34bd5f0cad23b76a9436f4ea8be..cefd73f9769237a9fe91a524c25dce8f74842062 100644
--- a/src/ASPHERE/pair_tri_lj.cpp
+++ b/src/ASPHERE/pair_tri_lj.cpp
@@ -77,8 +77,7 @@ void PairTriLJ::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   AtomVecTri::Bonus *bonus = avec->bonus;
   double **x = atom->x;
diff --git a/src/BODY/compute_body_local.cpp b/src/BODY/compute_body_local.cpp
index df8a76d0fedc1f5951572999615ff9ae67ffbaf5..20f7d7670881779ee25cf204c2d09fff1f375a67 100644
--- a/src/BODY/compute_body_local.cpp
+++ b/src/BODY/compute_body_local.cpp
@@ -39,8 +39,6 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS *lmp, int narg, char **arg) :
 
   local_flag = 1;
   nvalues = narg - 3;
-  if (nvalues == 1) size_local_cols = 0;
-  else size_local_cols = nvalues;
 
   which = new int[nvalues];
   index = new int[nvalues];
@@ -66,6 +64,9 @@ ComputeBodyLocal::ComputeBodyLocal(LAMMPS *lmp, int narg, char **arg) :
       error->all(FLERR,"Invalid index in compute body/local command");
   }
 
+  if (nvalues == 1) size_local_cols = 0;
+  else size_local_cols = nvalues;
+
   nmax = 0;
   vector = NULL;
   array = NULL;
diff --git a/src/BODY/pair_body_nparticle.cpp b/src/BODY/pair_body_nparticle.cpp
index 80b45beb4e9ecf174503ea7f46c19c0e8a7f46a1..f2eb2aa5203586f5c1d1d4ce32151ad87e0fb47d 100644
--- a/src/BODY/pair_body_nparticle.cpp
+++ b/src/BODY/pair_body_nparticle.cpp
@@ -77,8 +77,7 @@ void PairBodyNparticle::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/BODY/pair_body_rounded_polygon.cpp b/src/BODY/pair_body_rounded_polygon.cpp
index b6dcab29ae18194b4591161d430c62adc84747fe..69495ea57fb3ac754c3ce37a696cfc59f2dc6aba 100644
--- a/src/BODY/pair_body_rounded_polygon.cpp
+++ b/src/BODY/pair_body_rounded_polygon.cpp
@@ -111,8 +111,7 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/BODY/pair_body_rounded_polyhedron.cpp b/src/BODY/pair_body_rounded_polyhedron.cpp
index 1a4653ce535c6533fb2c5f15db7624a5112a385b..60f6df358224676a743467f19c7fe82341283cf3 100644
--- a/src/BODY/pair_body_rounded_polyhedron.cpp
+++ b/src/BODY/pair_body_rounded_polyhedron.cpp
@@ -127,8 +127,7 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/CLASS2/angle_class2.cpp b/src/CLASS2/angle_class2.cpp
index 24f41bfd587e00d1ec3ae121a9511c0dcf712641..d550767e5e0866116d365cf43e638d30f92b9058 100644
--- a/src/CLASS2/angle_class2.cpp
+++ b/src/CLASS2/angle_class2.cpp
@@ -78,8 +78,7 @@ void AngleClass2::compute(int eflag, int vflag)
   double vx11,vx12,vy11,vy12,vz11,vz12,vx21,vx22,vy21,vy22,vz21,vz22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CLASS2/bond_class2.cpp b/src/CLASS2/bond_class2.cpp
index af20313e0ad1f6e6ffbe7f259ede42ce09abe0bb..26c4e63a4dd5e8f5854b0c6c6a5e4f7ca561e192 100644
--- a/src/CLASS2/bond_class2.cpp
+++ b/src/CLASS2/bond_class2.cpp
@@ -56,8 +56,7 @@ void BondClass2::compute(int eflag, int vflag)
   double rsq,r,dr,dr2,dr3,dr4,de_bond;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CLASS2/dihedral_class2.cpp b/src/CLASS2/dihedral_class2.cpp
index c6360dd84643b95fc1996e4cd10e8005b5d3c8b8..c471b1f353ddcef7e4af00af47fb1f73204e39f0 100644
--- a/src/CLASS2/dihedral_class2.cpp
+++ b/src/CLASS2/dihedral_class2.cpp
@@ -118,8 +118,7 @@ void DihedralClass2::compute(int eflag, int vflag)
   double fabcd[4][3];
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp
index 77f594af9d33cbeb6f92c8d70a365c3837df432d..ccb81aebd9a672a8a61ba3165b6f760a286db707 100644
--- a/src/CLASS2/improper_class2.cpp
+++ b/src/CLASS2/improper_class2.cpp
@@ -90,8 +90,7 @@ void ImproperClass2::compute(int eflag, int vflag)
   double fabcd[4][3];
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   for (i = 0; i < 3; i++)
     for (j = 0; j < 4; j++)
diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp
index e6546b1acc5d99409561f2f3606d6679bc297f82..60b988926a6f0bc4bcf9aa2da43f9fb1b5b7c177 100644
--- a/src/CLASS2/pair_lj_class2.cpp
+++ b/src/CLASS2/pair_lj_class2.cpp
@@ -2,12 +2,10 @@
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
-
    Copyright (2003) Sandia Corporation.  Under the terms of Contract
    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
    certain rights in this software.  This software is distributed under
    the GNU General Public License.
-
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
@@ -19,7 +17,12 @@
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
+#include "neighbor.h"
 #include "neigh_list.h"
+#include "neigh_request.h"
+#include "update.h"
+#include "integrate.h"
+#include "respa.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
@@ -31,6 +34,7 @@ using namespace MathConst;
 
 PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp)
 {
+  respa_enable = 1;
   writedata = 1;
 }
 
@@ -38,20 +42,20 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp)
 
 PairLJClass2::~PairLJClass2()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
 }
 
@@ -65,8 +69,7 @@ void PairLJClass2::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -134,6 +137,270 @@ void PairLJClass2::compute(int eflag, int vflag)
   if (vflag_fdotr) virial_fdotr_compute();
 }
 
+/* ----------------------------------------------------------------------
+*/
+
+void PairLJClass2::compute_inner()
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,fpair;
+  double rsq,rinv,r2inv,r3inv,r6inv,forcelj,factor_lj,rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum_inner;
+  ilist = list->ilist_inner;
+  numneigh = list->numneigh_inner;
+  firstneigh = list->firstneigh_inner;
+
+  double cut_out_on = cut_respa[0];
+  double cut_out_off = cut_respa[1];
+
+  double cut_out_diff = cut_out_off - cut_out_on;
+  double cut_out_on_sq = cut_out_on*cut_out_on;
+  double cut_out_off_sq = cut_out_off*cut_out_off;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cut_out_off_sq) {
+        r2inv = 1.0/rsq;
+		rinv = sqrt(r2inv);
+		r3inv = r2inv*rinv;
+        r6inv = r3inv*r3inv;
+        jtype = type[j];
+        forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+        fpair = factor_lj*forcelj*r2inv;
+        if (rsq > cut_out_on_sq) {
+          rsw = (sqrt(rsq) - cut_out_on)/cut_out_diff;
+          fpair *= 1.0 - rsw*rsw*(3.0 - 2.0*rsw);
+        }
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairLJClass2::compute_middle()
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,fpair;
+  double rsq,rinv,r2inv,r3inv,r6inv,forcelj,factor_lj,rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum_middle;
+  ilist = list->ilist_middle;
+  numneigh = list->numneigh_middle;
+  firstneigh = list->firstneigh_middle;
+
+  double cut_in_off = cut_respa[0];
+  double cut_in_on = cut_respa[1];
+  double cut_out_on = cut_respa[2];
+  double cut_out_off = cut_respa[3];
+
+  double cut_in_diff = cut_in_on - cut_in_off;
+  double cut_out_diff = cut_out_off - cut_out_on;
+  double cut_in_off_sq = cut_in_off*cut_in_off;
+  double cut_in_on_sq = cut_in_on*cut_in_on;
+  double cut_out_on_sq = cut_out_on*cut_out_on;
+  double cut_out_off_sq = cut_out_off*cut_out_off;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cut_out_off_sq && rsq > cut_in_off_sq) {
+        r2inv = 1.0/rsq;
+		rinv = sqrt(r2inv);
+		r3inv = r2inv*rinv;
+        r6inv = r3inv*r3inv;
+        jtype = type[j];
+        forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+        fpair = factor_lj*forcelj*r2inv;
+        if (rsq < cut_in_on_sq) {
+          rsw = (sqrt(rsq) - cut_in_off)/cut_in_diff;
+          fpair *= rsw*rsw*(3.0 - 2.0*rsw);
+        }
+        if (rsq > cut_out_on_sq) {
+          rsw = (sqrt(rsq) - cut_out_on)/cut_out_diff;
+          fpair *= 1.0 + rsw*rsw*(2.0*rsw - 3.0);
+        }
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairLJClass2::compute_outer(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
+  double rsq,rinv,r2inv,r3inv,r6inv,forcelj,factor_lj,rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  evdwl = 0.0;
+  ev_init(eflag,vflag);
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  double cut_in_off = cut_respa[2];
+  double cut_in_on = cut_respa[3];
+
+  double cut_in_diff = cut_in_on - cut_in_off;
+  double cut_in_off_sq = cut_in_off*cut_in_off;
+  double cut_in_on_sq = cut_in_on*cut_in_on;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      jtype = type[j];
+
+      if (rsq < cutsq[itype][jtype]) {
+        if (rsq > cut_in_off_sq) {
+          r2inv = 1.0/rsq;
+		  rinv = sqrt(r2inv);
+		  r3inv = r2inv*rinv;
+          r6inv = r3inv*r3inv;
+          forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+          fpair = factor_lj*forcelj*r2inv;
+          if (rsq < cut_in_on_sq) {
+            rsw = (sqrt(rsq) - cut_in_off)/cut_in_diff;
+            fpair *= rsw*rsw*(3.0 - 2.0*rsw);
+          }
+
+          f[i][0] += delx*fpair;
+          f[i][1] += dely*fpair;
+          f[i][2] += delz*fpair;
+          if (newton_pair || j < nlocal) {
+            f[j][0] -= delx*fpair;
+            f[j][1] -= dely*fpair;
+            f[j][2] -= delz*fpair;
+          }
+        }
+
+        if (eflag) {
+          r2inv = 1.0/rsq;
+		  rinv = sqrt(r2inv);
+		  r3inv = r2inv*rinv;
+          r6inv = r3inv*r3inv;
+          evdwl = r6inv*(lj3[itype][jtype]*r3inv-lj4[itype][jtype]) -
+            offset[itype][jtype];
+          evdwl *= factor_lj;
+        }
+
+        if (vflag) {
+          if (rsq <= cut_in_off_sq) {
+            r2inv = 1.0/rsq;
+			rinv = sqrt(r2inv);
+			r3inv = r2inv*rinv;
+            r6inv = r3inv*r3inv;
+            forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+            fpair = factor_lj*forcelj*r2inv;
+          } else if (rsq < cut_in_on_sq)
+            fpair = factor_lj*forcelj*r2inv;
+        }
+
+        if (evflag) ev_tally(i,j,nlocal,newton_pair,
+                             evdwl,0.0,fpair,delx,dely,delz);
+      }
+    }
+  }
+}
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
@@ -213,6 +480,38 @@ void PairLJClass2::coeff(int narg, char **arg)
   if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 }
 
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairLJClass2::init_style()
+{
+  // request regular or rRESPA neighbor list
+
+  int irequest;
+  int respa = 0;
+
+  if (update->whichflag == 1 && strstr(update->integrate_style,"respa")) {
+    if (((Respa *) update->integrate)->level_inner >= 0) respa = 1;
+    if (((Respa *) update->integrate)->level_middle >= 0) respa = 2;
+  }
+
+  irequest = neighbor->request(this,instance_me);
+
+  if (respa >= 1) {
+    neighbor->requests[irequest]->respaouter = 1;
+    neighbor->requests[irequest]->respainner = 1;
+  }
+  if (respa == 2) neighbor->requests[irequest]->respamiddle = 1;
+
+  // set rRESPA cutoffs
+
+  if (strstr(update->integrate_style,"respa") &&
+      ((Respa *) update->integrate)->level_inner >= 0)
+    cut_respa = ((Respa *) update->integrate)->cutoff;
+  else cut_respa = NULL;
+}
+
 /* ----------------------------------------------------------------------
    init for one type pair i,j and corresponding j,i
 ------------------------------------------------------------------------- */
@@ -247,6 +546,11 @@ double PairLJClass2::init_one(int i, int j)
   lj4[j][i] = lj4[i][j];
   offset[j][i] = offset[i][j];
 
+  // check interior rRESPA cutoff
+
+  if (cut_respa && cut[i][j] < cut_respa[3])
+    error->all(FLERR,"Pair cutoff < Respa interior cutoff");
+
   // compute I,J contribution to long-range tail correction
   // count total # of atoms of type I and J via Allreduce
 
diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h
index 02a1f44ff7f7ed7f916eef4c990d09c77e15238b..7680498a07bb904b801a0772b5a534109dd0d966 100644
--- a/src/CLASS2/pair_lj_class2.h
+++ b/src/CLASS2/pair_lj_class2.h
@@ -2,12 +2,10 @@
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
-
    Copyright (2003) Sandia Corporation.  Under the terms of Contract
    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
    certain rights in this software.  This software is distributed under
    the GNU General Public License.
-
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
@@ -31,6 +29,7 @@ class PairLJClass2 : public Pair {
   virtual void compute(int, int);
   virtual void settings(int, char **);
   void coeff(int, char **);
+  void init_style();
   virtual double init_one(int, int);
   void write_restart(FILE *);
   void read_restart(FILE *);
@@ -41,11 +40,16 @@ class PairLJClass2 : public Pair {
   double single(int, int, int, int, double, double, double, double &);
   void *extract(const char *, int &);
 
+  void compute_inner();
+  void compute_middle();
+  void compute_outer(int, int);
+
  protected:
   double cut_global;
   double **cut;
   double **epsilon,**sigma;
   double **lj1,**lj2,**lj3,**lj4,**offset;
+  double *cut_respa;
 
   virtual void allocate();
 };
@@ -56,15 +60,13 @@ class PairLJClass2 : public Pair {
 #endif
 
 /* ERROR/WARNING messages:
-
 E: Illegal ... command
-
 Self-explanatory.  Check the input script syntax and compare to the
 documentation for the command.  You can use -echo screen as a
 command-line option when running LAMMPS to see the offending line.
-
 E: Incorrect args for pair coefficients
-
 Self-explanatory.  Check the input script or data file.
-
+E: Pair cutoff < Respa interior cutoff
+One or more pairwise cutoffs are too short to use with the specified
+rRESPA cutoffs.
 */
diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp
index 49242ecb434edfb066bc72b49dd644009799699e..8dc038b8fc5e2579772466a25e5a132f05cd0947 100644
--- a/src/CLASS2/pair_lj_class2_coul_cut.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp
@@ -39,23 +39,23 @@ PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp)
 
 PairLJClass2CoulCut::~PairLJClass2CoulCut()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(cut_coul);
-      memory->destroy(cut_coulsq);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(cut_coul);
+    memory->destroy(cut_coulsq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
 }
 
@@ -70,8 +70,7 @@ void PairLJClass2CoulCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -474,9 +473,8 @@ double PairLJClass2CoulCut::single(int i, int j, int itype, int jtype,
 
 void *PairLJClass2CoulCut::extract(const char *str, int &dim)
 {
-  dim = 0;
-  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   dim = 2;
+  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
   if (strcmp(str,"sigma") == 0) return (void *) sigma;
   return NULL;
diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp
index bbea2ade6e6f4a43233cbbb849872a27d0642ce6..c92c7b78f193df704f0990a64862d51f24f98c65 100644
--- a/src/CLASS2/pair_lj_class2_coul_long.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_long.cpp
@@ -20,8 +20,12 @@
 #include "comm.h"
 #include "force.h"
 #include "kspace.h"
+#include "update.h"
+#include "integrate.h"
+#include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"
+#include "neigh_request.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
@@ -42,6 +46,7 @@ using namespace MathConst;
 PairLJClass2CoulLong::PairLJClass2CoulLong(LAMMPS *lmp) : Pair(lmp)
 {
   ewaldflag = pppmflag = 1;
+  respa_enable = 1;
   writedata = 1;
   ftable = NULL;
 }
@@ -50,21 +55,21 @@ PairLJClass2CoulLong::PairLJClass2CoulLong(LAMMPS *lmp) : Pair(lmp)
 
 PairLJClass2CoulLong::~PairLJClass2CoulLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
   if (ftable) free_tables();
 }
@@ -82,8 +87,7 @@ void PairLJClass2CoulLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -197,6 +201,377 @@ void PairLJClass2CoulLong::compute(int eflag, int vflag)
   if (vflag_fdotr) virial_fdotr_compute();
 }
 
+/* ---------------------------------------------------------------------- */
+
+void PairLJClass2CoulLong::compute_inner()
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,fpair;
+  double rsq,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj;
+  double rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_coul = force->special_coul;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+  double qqrd2e = force->qqrd2e;
+
+  inum = list->inum_inner;
+  ilist = list->ilist_inner;
+  numneigh = list->numneigh_inner;
+  firstneigh = list->firstneigh_inner;
+
+  double cut_out_on = cut_respa[0];
+  double cut_out_off = cut_respa[1];
+
+  double cut_out_diff = cut_out_off - cut_out_on;
+  double cut_out_on_sq = cut_out_on*cut_out_on;
+  double cut_out_off_sq = cut_out_off*cut_out_off;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    qtmp = q[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      factor_coul = special_coul[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cut_out_off_sq) {
+        r2inv = 1.0/rsq;
+        forcecoul = qqrd2e * qtmp*q[j]*sqrt(r2inv);
+        if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*forcecoul;
+
+        jtype = type[j];
+        if (rsq < cut_ljsq[itype][jtype]) {
+		  rinv = sqrt(r2inv);
+		  r3inv = r2inv*rinv;
+          r6inv = r3inv*r3inv;
+          forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+        } else forcelj = 0.0;
+
+        fpair = (forcecoul + factor_lj*forcelj) * r2inv;
+        if (rsq > cut_out_on_sq) {
+          rsw = (sqrt(rsq) - cut_out_on)/cut_out_diff;
+          fpair  *= 1.0 + rsw*rsw*(2.0*rsw-3.0);
+        }
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairLJClass2CoulLong::compute_middle()
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,fpair;
+  double rsq,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj;
+  double rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_coul = force->special_coul;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+  double qqrd2e = force->qqrd2e;
+
+  inum = list->inum_middle;
+  ilist = list->ilist_middle;
+  numneigh = list->numneigh_middle;
+  firstneigh = list->firstneigh_middle;
+
+  double cut_in_off = cut_respa[0];
+  double cut_in_on = cut_respa[1];
+  double cut_out_on = cut_respa[2];
+  double cut_out_off = cut_respa[3];
+
+  double cut_in_diff = cut_in_on - cut_in_off;
+  double cut_out_diff = cut_out_off - cut_out_on;
+  double cut_in_off_sq = cut_in_off*cut_in_off;
+  double cut_in_on_sq = cut_in_on*cut_in_on;
+  double cut_out_on_sq = cut_out_on*cut_out_on;
+  double cut_out_off_sq = cut_out_off*cut_out_off;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    qtmp = q[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      factor_coul = special_coul[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cut_out_off_sq && rsq > cut_in_off_sq) {
+        r2inv = 1.0/rsq;
+        forcecoul = qqrd2e * qtmp*q[j]*sqrt(r2inv);
+        if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*forcecoul;
+
+        jtype = type[j];
+        if (rsq < cut_ljsq[itype][jtype]) {
+		  rinv = sqrt(r2inv);
+		  r3inv = r2inv*rinv;
+          r6inv = r3inv*r3inv;
+          forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+        } else forcelj = 0.0;
+
+        fpair = (forcecoul + factor_lj*forcelj) * r2inv;
+        if (rsq < cut_in_on_sq) {
+          rsw = (sqrt(rsq) - cut_in_off)/cut_in_diff;
+          fpair *= rsw*rsw*(3.0 - 2.0*rsw);
+        }
+        if (rsq > cut_out_on_sq) {
+          rsw = (sqrt(rsq) - cut_out_on)/cut_out_diff;
+          fpair *= 1.0 + rsw*rsw*(2.0*rsw - 3.0);
+        }
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairLJClass2CoulLong::compute_outer(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype,itable;
+  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
+  double fraction,table;
+  double r,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj;
+  double grij,expm2,prefactor,t,erfc;
+  double rsw;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  double rsq;
+
+  evdwl = ecoul = 0.0;
+  ev_init(eflag,vflag);
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_coul = force->special_coul;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+  double qqrd2e = force->qqrd2e;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  double cut_in_off = cut_respa[2];
+  double cut_in_on = cut_respa[3];
+
+  double cut_in_diff = cut_in_on - cut_in_off;
+  double cut_in_off_sq = cut_in_off*cut_in_off;
+  double cut_in_on_sq = cut_in_on*cut_in_on;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    qtmp = q[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      factor_coul = special_coul[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      jtype = type[j];
+
+      if (rsq < cutsq[itype][jtype]) {
+        r2inv = 1.0/rsq;
+
+        if (rsq < cut_coulsq) {
+          if (!ncoultablebits || rsq <= tabinnersq) {
+            r = sqrt(rsq);
+            grij = g_ewald * r;
+            expm2 = exp(-grij*grij);
+            t = 1.0 / (1.0 + EWALD_P*grij);
+            erfc = t * (A1+t*(A2+t*(A3+t*(A4+t*A5)))) * expm2;
+            prefactor = qqrd2e * qtmp*q[j]/r;
+            forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - 1.0);
+            if (rsq > cut_in_off_sq) {
+              if (rsq < cut_in_on_sq) {
+                rsw = (r - cut_in_off)/cut_in_diff;
+                forcecoul += prefactor*rsw*rsw*(3.0 - 2.0*rsw);
+                if (factor_coul < 1.0)
+                  forcecoul -=
+                    (1.0-factor_coul)*prefactor*rsw*rsw*(3.0 - 2.0*rsw);
+              } else {
+                forcecoul += prefactor;
+                if (factor_coul < 1.0)
+                  forcecoul -= (1.0-factor_coul)*prefactor;
+              }
+            }
+          } else {
+            union_int_float_t rsq_lookup;
+            rsq_lookup.f = rsq;
+            itable = rsq_lookup.i & ncoulmask;
+            itable >>= ncoulshiftbits;
+            fraction = (rsq_lookup.f - rtable[itable]) * drtable[itable];
+            table = ftable[itable] + fraction*dftable[itable];
+            forcecoul = qtmp*q[j] * table;
+            if (factor_coul < 1.0) {
+              table = ctable[itable] + fraction*dctable[itable];
+              prefactor = qtmp*q[j] * table;
+              forcecoul -= (1.0-factor_coul)*prefactor;
+            }
+          }
+        } else forcecoul = 0.0;
+
+        if (rsq < cut_ljsq[itype][jtype] && rsq > cut_in_off_sq) {
+		  rinv = sqrt(r2inv);
+		  r3inv = r2inv*rinv;
+		  r6inv = r3inv*r3inv;
+          forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+          if (rsq < cut_in_on_sq) {
+            rsw = (sqrt(rsq) - cut_in_off)/cut_in_diff;
+            forcelj *= rsw*rsw*(3.0 - 2.0*rsw);
+          }
+        } else forcelj = 0.0;
+
+        fpair = (forcecoul + forcelj) * r2inv;
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+
+        if (eflag) {
+          if (rsq < cut_coulsq) {
+            if (!ncoultablebits || rsq <= tabinnersq) {
+              ecoul = prefactor*erfc;
+              if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor;
+            } else {
+              table = etable[itable] + fraction*detable[itable];
+              ecoul = qtmp*q[j] * table;
+              if (factor_coul < 1.0) {
+                table = ptable[itable] + fraction*dptable[itable];
+                prefactor = qtmp*q[j] * table;
+                ecoul -= (1.0-factor_coul)*prefactor;
+              }
+            }
+          } else ecoul = 0.0;
+
+          if (rsq < cut_ljsq[itype][jtype]) {
+			rinv = sqrt(r2inv);
+			r3inv = r2inv*rinv;
+			r6inv = r3inv*r3inv;
+            evdwl = r6inv*(lj3[itype][jtype]*r3inv-lj4[itype][jtype]) -
+              offset[itype][jtype];
+            evdwl *= factor_lj;
+          } else evdwl = 0.0;
+        }
+
+        if (vflag) {
+          if (rsq < cut_coulsq) {
+            if (!ncoultablebits || rsq <= tabinnersq) {
+              forcecoul = prefactor * (erfc + EWALD_F*grij*expm2);
+              if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor;
+            } else {
+              table = vtable[itable] + fraction*dvtable[itable];
+              forcecoul = qtmp*q[j] * table;
+              if (factor_coul < 1.0) {
+                table = ptable[itable] + fraction*dptable[itable];
+                prefactor = qtmp*q[j] * table;
+                forcecoul -= (1.0-factor_coul)*prefactor;
+              }
+            }
+          } else forcecoul = 0.0;
+
+          if (rsq <= cut_in_off_sq) {
+            rinv = sqrt(r2inv);
+			r3inv = r2inv*rinv;
+			r6inv = r3inv*r3inv;
+            forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+          } else if (rsq <= cut_in_on_sq) {
+			rinv = sqrt(r2inv);
+			r3inv = r2inv*rinv;
+			r6inv = r3inv*r3inv;
+            forcelj = r6inv * (lj1[itype][jtype]*r3inv - lj2[itype][jtype]);
+          }
+          fpair = (forcecoul + factor_lj*forcelj) * r2inv;
+        }
+
+        if (evflag) ev_tally(i,j,nlocal,newton_pair,
+                             evdwl,ecoul,fpair,delx,dely,delz);
+      }
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
@@ -290,10 +665,33 @@ void PairLJClass2CoulLong::init_style()
   if (!atom->q_flag)
     error->all(FLERR,
                "Pair style lj/class2/coul/long requires atom attribute q");
-
-  neighbor->request(this,instance_me);
+  
+  // request regular or rRESPA neighbor list
+  
+  int irequest;
+  int respa = 0;
+  
+  if (update->whichflag == 1 && strstr(update->integrate_style,"respa")) {
+    if (((Respa *) update->integrate)->level_inner >= 0) respa = 1;
+	if (((Respa *) update->integrate)->level_middle >= 0) respa = 2;
+  }
+  
+  irequest = neighbor->request(this,instance_me);
+  
+  if (respa >= 1) {
+    neighbor->requests[irequest]->respaouter = 1;
+	neighbor->requests[irequest]->respainner = 1;
+  }
+  if (respa == 2) neighbor->requests[irequest]->respamiddle = 1;
 
   cut_coulsq = cut_coul * cut_coul;
+  
+  // set rRESPA cutoffs
+  
+  if (strstr(update->integrate_style,"respa") &&
+      ((Respa *) update->integrate)->level_inner >= 0)
+    cut_respa = ((Respa *) update->integrate)->cutoff;
+  else cut_respa = NULL;	
 
   // insure use of KSpace long-range solver, set g_ewald
 
@@ -302,7 +700,7 @@ void PairLJClass2CoulLong::init_style()
   g_ewald = force->kspace->g_ewald;
 
   // setup force tables
-  if (ncoultablebits) init_tables(cut_coul,NULL);
+  if (ncoultablebits) init_tables(cut_coul,cut_respa);
 }
 
 /* ----------------------------------------------------------------------
@@ -342,6 +740,11 @@ double PairLJClass2CoulLong::init_one(int i, int j)
   lj3[j][i] = lj3[i][j];
   lj4[j][i] = lj4[i][j];
   offset[j][i] = offset[i][j];
+  
+  // check interior rRESPA cutoff
+  
+  if (cut_respa && MIN(cut_lj[i][j],cut_coul) < cut_respa[3])
+    error->all(FLERR,"Pair cutoff < Respa interior cutoff");
 
   // compute I,J contribution to long-range tail correction
   // count total # of atoms of type I and J via Allreduce
diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h
index 202aaaaa4392cbc92a16b874f96228b65fef8de7..50d70925413b31469eb22516abd2498caa8913d8 100644
--- a/src/CLASS2/pair_lj_class2_coul_long.h
+++ b/src/CLASS2/pair_lj_class2_coul_long.h
@@ -40,6 +40,10 @@ class PairLJClass2CoulLong : public Pair {
   void write_data(FILE *);
   void write_data_all(FILE *);
   double single(int, int, int, int, double, double, double, double &);
+ 
+  void compute_inner();
+  void compute_middle();
+  void compute_outer(int, int);
   void *extract(const char *, int &);
 
  protected:
@@ -49,6 +53,7 @@ class PairLJClass2CoulLong : public Pair {
   double **epsilon,**sigma;
   double **lj1,**lj2,**lj3,**lj4,**offset;
   double g_ewald;
+  double *cut_respa;
 
   virtual void allocate();
 };
@@ -78,4 +83,9 @@ E: Pair style requires a KSpace style
 
 No kspace style is defined.
 
+E: Pair cutoff < Respa interior cutoff
+
+One or more pairwise cutoffs are too short to use with the specified
+rRESPA cutoffs.
+
 */
diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp
index e532c06c863f28eba94c5b93cd8a8ef01dd78a23..aefa96b1fb9ba5c2f90fd892b143620cc93f11b4 100644
--- a/src/COLLOID/pair_brownian.cpp
+++ b/src/COLLOID/pair_brownian.cpp
@@ -80,8 +80,7 @@ void PairBrownian::compute(int eflag, int vflag)
   double rsq,r,h_sep,radi;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/COLLOID/pair_brownian_poly.cpp b/src/COLLOID/pair_brownian_poly.cpp
index c6d5def2fafd80be6e70052159ef9b6803effd74..389ae084b71662495bbad073b11e5e3d8d8f0c81 100644
--- a/src/COLLOID/pair_brownian_poly.cpp
+++ b/src/COLLOID/pair_brownian_poly.cpp
@@ -66,8 +66,7 @@ void PairBrownianPoly::compute(int eflag, int vflag)
   double rsq,r,h_sep,beta0,beta1,radi,radj;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp
index c16dbf41af4e8c35082bb1d107c34ca744c88a24..04c35a7c009ccd51ad793add69ccf28ae88e04df 100644
--- a/src/COLLOID/pair_colloid.cpp
+++ b/src/COLLOID/pair_colloid.cpp
@@ -78,8 +78,7 @@ void PairColloid::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp
index de53d918181b0542d6e044a611b81a9f6294f286..4e629bd442f1473975e071c94d2df95d8fd4b09b 100644
--- a/src/COLLOID/pair_lubricate.cpp
+++ b/src/COLLOID/pair_lubricate.cpp
@@ -88,8 +88,7 @@ void PairLubricate::compute(int eflag, int vflag)
 
   double vxmu2f = force->vxmu2f;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp
index 35fe33c84eb7203f89804265c27f1784114735c7..3ea3d4fe4a16dff0f7d39d7cc48ad1f9ed26ff33 100644
--- a/src/COLLOID/pair_lubricateU.cpp
+++ b/src/COLLOID/pair_lubricateU.cpp
@@ -116,8 +116,7 @@ void PairLubricateU::compute(int eflag, int vflag)
   int nghost = atom->nghost;
   int nall = nlocal + nghost;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // skip compute() if called from integrate::setup()
   // this is b/c do not want compute() to update velocities twice on a restart
diff --git a/src/COLLOID/pair_lubricateU_poly.cpp b/src/COLLOID/pair_lubricateU_poly.cpp
index 90ac848d2653479a34bcf2850d214fe8340b5a14..4fec95dcd81e5db4f2c25d461d860e96e3a97558 100644
--- a/src/COLLOID/pair_lubricateU_poly.cpp
+++ b/src/COLLOID/pair_lubricateU_poly.cpp
@@ -78,8 +78,7 @@ void PairLubricateUPoly::compute(int eflag, int vflag)
   double **f = atom->f;
   double **torque = atom->torque;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // grow per-atom arrays if necessary
   // need to be atom->nmax in length
diff --git a/src/COLLOID/pair_lubricate_poly.cpp b/src/COLLOID/pair_lubricate_poly.cpp
index 5e5293336491ba2d78f15bea004eb6712ab76442..ffbe7fce3c182feb1e1c53020eb25a10750a9a74 100644
--- a/src/COLLOID/pair_lubricate_poly.cpp
+++ b/src/COLLOID/pair_lubricate_poly.cpp
@@ -72,8 +72,7 @@ void PairLubricatePoly::compute(int eflag, int vflag)
 
   double vxmu2f = force->vxmu2f;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/COLLOID/pair_yukawa_colloid.cpp b/src/COLLOID/pair_yukawa_colloid.cpp
index d21bc43524307448f905b0de8c63a721a6fbea4d..ab7d08850889e05b34399926134e8ff3a0e17359 100644
--- a/src/COLLOID/pair_yukawa_colloid.cpp
+++ b/src/COLLOID/pair_yukawa_colloid.cpp
@@ -46,8 +46,7 @@ void PairYukawaColloid::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_born_coul_dsf_cs.cpp b/src/CORESHELL/pair_born_coul_dsf_cs.cpp
index 549c7c03481c6c4481085fe0a414780291687302..f4d7447adeb47f2f89f1004a362cd5c22c2f6561 100644
--- a/src/CORESHELL/pair_born_coul_dsf_cs.cpp
+++ b/src/CORESHELL/pair_born_coul_dsf_cs.cpp
@@ -57,8 +57,7 @@ void PairBornCoulDSFCS::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_born_coul_long_cs.cpp b/src/CORESHELL/pair_born_coul_long_cs.cpp
index 76f6eb387df5f2df2ca8e7b4f3c05afc3ae78574..a19f8c34a866a1ecb93d7387860176395b6838fc 100644
--- a/src/CORESHELL/pair_born_coul_long_cs.cpp
+++ b/src/CORESHELL/pair_born_coul_long_cs.cpp
@@ -68,8 +68,7 @@ void PairBornCoulLongCS::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_born_coul_wolf_cs.cpp b/src/CORESHELL/pair_born_coul_wolf_cs.cpp
index 84179ce50ab7a8d20e27042480ccade65d331dd3..7b52c2866413d08c764b1c2e684b99ec119df66a 100644
--- a/src/CORESHELL/pair_born_coul_wolf_cs.cpp
+++ b/src/CORESHELL/pair_born_coul_wolf_cs.cpp
@@ -53,8 +53,7 @@ void PairBornCoulWolfCS::compute(int eflag, int vflag)
   double erfcc,erfcd,v_sh,dvdrr,e_self,e_shift,f_shift,qisq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_buck_coul_long_cs.cpp b/src/CORESHELL/pair_buck_coul_long_cs.cpp
index ea072d44a13d8a88fbc80e31f6339fdbe37e538d..8df91f39a30ff2bfa797914ed501e249e64e3cd7 100644
--- a/src/CORESHELL/pair_buck_coul_long_cs.cpp
+++ b/src/CORESHELL/pair_buck_coul_long_cs.cpp
@@ -68,8 +68,7 @@ void PairBuckCoulLongCS::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_coul_long_cs.cpp b/src/CORESHELL/pair_coul_long_cs.cpp
index b21465384199c5a58a8fa3c03a700c29faadef17..c8c8387d6d692a28e7ccb3e41b71b7f6269a565d 100644
--- a/src/CORESHELL/pair_coul_long_cs.cpp
+++ b/src/CORESHELL/pair_coul_long_cs.cpp
@@ -69,8 +69,7 @@ void PairCoulLongCS::compute(int eflag, int vflag)
   double rsq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_coul_wolf_cs.cpp b/src/CORESHELL/pair_coul_wolf_cs.cpp
index b50f14833e9664552022c3d54d36c4e2f953cc28..36e037bfc8fe3c7d6efbff7405e68f608f74e787 100644
--- a/src/CORESHELL/pair_coul_wolf_cs.cpp
+++ b/src/CORESHELL/pair_coul_wolf_cs.cpp
@@ -53,8 +53,7 @@ void PairCoulWolfCS::compute(int eflag, int vflag)
   double erfcc,erfcd,v_sh,dvdrr,e_self,e_shift,f_shift,qisq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp b/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp
index 8caefc0e66096283ca363c207a6290bfcea5183d..56c75f0f5dd24c4c289875b81d980f0ba5e1944f 100644
--- a/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp
+++ b/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp
@@ -74,8 +74,7 @@ void PairLJCutCoulLongCS::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -399,8 +398,7 @@ void PairLJCutCoulLongCS::compute_outer(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
index 6af9b457246fb0bc446dfcc37ef1449806b745da..18b78c55e0e02de605fb56956a1cad021a77f842 100644
--- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
+++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
@@ -69,8 +69,7 @@ void PairLJCutDipoleCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp
index 817a120e3d084b9301095d2364e8402586a04b57..42446a3777221eda71a677f71023c729df8b6585 100644
--- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp
+++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp
@@ -44,7 +44,7 @@ using namespace MathConst;
 PairLJCutDipoleLong::PairLJCutDipoleLong(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
-  ewaldflag = dipoleflag = 1;
+  ewaldflag = pppmflag = dipoleflag = 1;
   respa_enable = 0;
 }
 
@@ -90,8 +90,7 @@ void PairLJCutDipoleLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp
index 21fc035854d7a2fabeba3b6fdf54eb24055c4aab..fbdc47a15b44cd7a2d20ddca9f7489360586988c 100644
--- a/src/DIPOLE/pair_lj_long_dipole_long.cpp
+++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp
@@ -405,8 +405,7 @@ void PairLJLongDipoleLong::compute(int eflag, int vflag)
   double evdwl,ecoul,fpair;
   evdwl = ecoul = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x, *x0 = x[0];
   double **mu = atom->mu, *mu0 = mu[0], *imu, *jmu;
diff --git a/src/GPU/README b/src/GPU/README
index 792fc1a8b9ecf6cc9918884dd25f112693a7f0c4..bba532beaf4794b62603d260d390bd7ea2b09e4e 100644
--- a/src/GPU/README
+++ b/src/GPU/README
@@ -1,9 +1,8 @@
 This package implements GPU optimizations of various LAMMPS styles.
 
-Section 5.3.1 on the manual gives details of what hardware and Cuda
+Section 3.7 of the manual gives details of what hardware and Cuda
 software is required on your system, and full details on how to build
-and use this package.  See the KOKKOS package, which also has
-GPU-enabled styles.
+and use this package.  The KOKKOS package also has GPU-enabled styles.
 
 This package uses an external library provided in lib/gpu which must
 be compiled before making LAMMPS.  See the lib/gpu/README file and the
diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp
index 0d5b4334c967aa1fea821c254428c1e1655daeb0..f0558e6a025c013bb6b77ed5c4fd7267655bd3ad 100644
--- a/src/GPU/fix_gpu.cpp
+++ b/src/GPU/fix_gpu.cpp
@@ -219,17 +219,6 @@ void FixGPU::init()
     error->all(FLERR,"GPU package does not (yet) work with "
                "atom_style template");
 
-  // hybrid cannot be used with force/neigh option
-
-  if (_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH)
-    if (force->pair_match("^hybrid",0) != NULL)
-      error->all(FLERR,"Cannot use pair hybrid with GPU neighbor list builds");
-
-  if (_particle_split < 0)
-    if (force->pair_match("^hybrid",0) != NULL)
-      error->all(FLERR,"GPU split param must be positive "
-                 "for hybrid pair styles");
-
   // neighbor list builds on the GPU with triclinic box is not yet supported
 
   if ((_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH) &&
diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h
index c190a91061b002113d979429bc8d45f210fd2e1a..ba0b4c83cb287a6247f37eb67028a530b2679f7e 100644
--- a/src/GPU/fix_gpu.h
+++ b/src/GPU/fix_gpu.h
@@ -65,14 +65,6 @@ E: GPU package does not (yet) work with atom_style template
 
 Self-explanatory.
 
-E: Cannot use pair hybrid with GPU neighbor list builds
-
-Neighbor list builds must be done on the CPU for this pair style.
-
-E: GPU split param must be positive for hybrid pair styles
-
-See the package gpu command.
-
 E: Cannot use package gpu neigh yes with triclinic box
 
 This is a current restriction in LAMMPS.
diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp
index e65c53d194b12b276eeb9a33b31ad1e7cb292db7..9f76975ef1fbd7be6919130ce2793f9f017ff9ec 100644
--- a/src/GPU/pair_beck_gpu.cpp
+++ b/src/GPU/pair_beck_gpu.cpp
@@ -84,8 +84,7 @@ PairBeckGPU::~PairBeckGPU()
 
 void PairBeckGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_born_coul_long_cs_gpu.cpp b/src/GPU/pair_born_coul_long_cs_gpu.cpp
index 587c7b52151b2636d0f115c34bbbac0ca094eb0c..291ad8ad1fd20391c9ccffa80f14398cbedb09d2 100644
--- a/src/GPU/pair_born_coul_long_cs_gpu.cpp
+++ b/src/GPU/pair_born_coul_long_cs_gpu.cpp
@@ -106,8 +106,7 @@ PairBornCoulLongCSGPU::~PairBornCoulLongCSGPU()
 
 void PairBornCoulLongCSGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp
index 1549ed79afda015d17b5922f2c3b70eec6c6041a..eb204691c71fac6b1fffe7df4df50214657c9a9e 100644
--- a/src/GPU/pair_born_coul_long_gpu.cpp
+++ b/src/GPU/pair_born_coul_long_gpu.cpp
@@ -101,8 +101,7 @@ PairBornCoulLongGPU::~PairBornCoulLongGPU()
 
 void PairBornCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
index bf23007bca0027028c30ac1bff34f30b00e97767..4877a442b5abe4bbff01ef6aacc1577d03cbbb9b 100644
--- a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
+++ b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
@@ -94,8 +94,7 @@ PairBornCoulWolfCSGPU::~PairBornCoulWolfCSGPU()
 
 void PairBornCoulWolfCSGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp
index 06a2769e1024c75edcca15c78c205cd39928fd99..851174988b4d0ffe9eec517609d417a87a12c86f 100644
--- a/src/GPU/pair_born_coul_wolf_gpu.cpp
+++ b/src/GPU/pair_born_coul_wolf_gpu.cpp
@@ -92,8 +92,7 @@ PairBornCoulWolfGPU::~PairBornCoulWolfGPU()
 
 void PairBornCoulWolfGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp
index 01e91a9c0b793c151149a5ed776a72775b7b122b..253d2d728254b68c75f1d2bc1d05aecb959d7e2b 100644
--- a/src/GPU/pair_born_gpu.cpp
+++ b/src/GPU/pair_born_gpu.cpp
@@ -87,8 +87,7 @@ PairBornGPU::~PairBornGPU()
 
 void PairBornGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp
index ce71e9ac4116e9ba45edf739d104929ac8979465..ed602f9cabb8482a11422fdf889e26115d74b167 100644
--- a/src/GPU/pair_buck_coul_cut_gpu.cpp
+++ b/src/GPU/pair_buck_coul_cut_gpu.cpp
@@ -88,8 +88,7 @@ PairBuckCoulCutGPU::~PairBuckCoulCutGPU()
 
 void PairBuckCoulCutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp
index a2d14ea25f26f55e6820a08d566ba6dad24a544b..d6b9e532822dd53043ed1c1bba375f550be8ace2 100644
--- a/src/GPU/pair_buck_coul_long_gpu.cpp
+++ b/src/GPU/pair_buck_coul_long_gpu.cpp
@@ -97,8 +97,7 @@ PairBuckCoulLongGPU::~PairBuckCoulLongGPU()
 
 void PairBuckCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp
index e6479e46e88aa32cdaa6a8b25baeb88377babd80..8c85407e6e6ae6e854de1c8dab3acac0fe23e208 100644
--- a/src/GPU/pair_buck_gpu.cpp
+++ b/src/GPU/pair_buck_gpu.cpp
@@ -85,8 +85,7 @@ PairBuckGPU::~PairBuckGPU()
 
 void PairBuckGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp
index 03e5aac5d5fd9a8cd9a5902dd39806de825de1c8..0ee8708b5b7f4237c6e80d43577b71aa7aba0e9e 100644
--- a/src/GPU/pair_colloid_gpu.cpp
+++ b/src/GPU/pair_colloid_gpu.cpp
@@ -85,8 +85,7 @@ PairColloidGPU::~PairColloidGPU()
 
 void PairColloidGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp
index 436d26fb5484eb64daa3f1081b36186e4a268c0b..fb50c446b1de699fb622f42756480ec8be11f680 100644
--- a/src/GPU/pair_coul_cut_gpu.cpp
+++ b/src/GPU/pair_coul_cut_gpu.cpp
@@ -85,8 +85,7 @@ PairCoulCutGPU::~PairCoulCutGPU()
 
 void PairCoulCutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp
index c17e21f41f65c2ff01ba23afe8793e5ee0ddd5fe..ec771a9935b5a0e1b9ccda7cd5fdd763a158382d 100644
--- a/src/GPU/pair_coul_debye_gpu.cpp
+++ b/src/GPU/pair_coul_debye_gpu.cpp
@@ -86,8 +86,7 @@ PairCoulDebyeGPU::~PairCoulDebyeGPU()
 
 void PairCoulDebyeGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp
index 15a15660dd413665c90151a162204ff91758f4a3..1753b8a91cb03683d60ef8897870c0cc33bc10d1 100644
--- a/src/GPU/pair_coul_dsf_gpu.cpp
+++ b/src/GPU/pair_coul_dsf_gpu.cpp
@@ -97,8 +97,7 @@ PairCoulDSFGPU::~PairCoulDSFGPU()
 
 void PairCoulDSFGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_coul_long_cs_gpu.cpp b/src/GPU/pair_coul_long_cs_gpu.cpp
index be2a0907869db4b4f452a091335dd174ff7b4029..6ca00d63615aaa88ea7ec8fabac38abf15c8d3dd 100644
--- a/src/GPU/pair_coul_long_cs_gpu.cpp
+++ b/src/GPU/pair_coul_long_cs_gpu.cpp
@@ -99,8 +99,7 @@ PairCoulLongCSGPU::~PairCoulLongCSGPU()
 
 void PairCoulLongCSGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp
index 684b0049c0b31f9bdd80851a4c628ac58d253754..f75d10b6dd2f0fcb40e14f5193402edf432c4458 100644
--- a/src/GPU/pair_coul_long_gpu.cpp
+++ b/src/GPU/pair_coul_long_gpu.cpp
@@ -94,8 +94,7 @@ PairCoulLongGPU::~PairCoulLongGPU()
 
 void PairCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp
index 7d56b47fe5c8cc7b82e671be6768676e7729339d..b1e45fbecd0c1b57431035836359b2b77b37c2a9 100644
--- a/src/GPU/pair_dpd_gpu.cpp
+++ b/src/GPU/pair_dpd_gpu.cpp
@@ -225,8 +225,7 @@ PairDPDGPU::~PairDPDGPU()
 
 void PairDPDGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp
index f093c03a2db7a93dab86ef1db06620bbef90863d..0693a27344d9d26084ecaaa4ce1e9c72b16a1613 100644
--- a/src/GPU/pair_dpd_tstat_gpu.cpp
+++ b/src/GPU/pair_dpd_tstat_gpu.cpp
@@ -228,8 +228,7 @@ PairDPDTstatGPU::~PairDPDTstatGPU()
 
 void PairDPDTstatGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // adjust sigma if target T is changing
 
diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp
index c472b91fc8fd2a6bff9c658623dd000cb411b28c..9b3412d3d1c26cc42ec7142f0941680aa679af66 100644
--- a/src/GPU/pair_eam_alloy_gpu.cpp
+++ b/src/GPU/pair_eam_alloy_gpu.cpp
@@ -94,8 +94,7 @@ double PairEAMAlloyGPU::memory_usage()
 
 void PairEAMAlloyGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // compute density on each atom on GPU
 
diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp
index 821bb1af1cdcc5ac857d26c7c597767f5aa05140..11ef28af3e7e56b9dd5d79b8f04f5db36509a585 100644
--- a/src/GPU/pair_eam_fs_gpu.cpp
+++ b/src/GPU/pair_eam_fs_gpu.cpp
@@ -92,8 +92,7 @@ double PairEAMFSGPU::memory_usage()
 
 void PairEAMFSGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // compute density on each atom on GPU
 
diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp
index 515a349ad2b8d27068e3602bdc6cbcf3b8885f84..4788a7241779e68b9851b7207205aa092c7e90ce 100644
--- a/src/GPU/pair_eam_gpu.cpp
+++ b/src/GPU/pair_eam_gpu.cpp
@@ -95,8 +95,7 @@ double PairEAMGPU::memory_usage()
 
 void PairEAMGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // compute density on each atom on GPU
 
diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp
index 71fb55f4d01c97b763d48546df74c38b21c56d32..c596a9d644c69bdbdae2364050ebee7e87f8d4ec 100644
--- a/src/GPU/pair_gauss_gpu.cpp
+++ b/src/GPU/pair_gauss_gpu.cpp
@@ -82,8 +82,7 @@ PairGaussGPU::~PairGaussGPU()
 
 void PairGaussGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp
index 32b8b979cda1f297ff09780510cf8772ef5783e2..4ed2750e57fb40dca142c46c568a6d2ac4cff0f8 100644
--- a/src/GPU/pair_gayberne_gpu.cpp
+++ b/src/GPU/pair_gayberne_gpu.cpp
@@ -92,8 +92,7 @@ PairGayBerneGPU::~PairGayBerneGPU()
 
 void PairGayBerneGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp
index 707d632d9a1ae4188d5e90239c76d5a666f76941..5bc30c809d81708f3b49fabe822cd96edf4f7fd9 100644
--- a/src/GPU/pair_lj96_cut_gpu.cpp
+++ b/src/GPU/pair_lj96_cut_gpu.cpp
@@ -82,8 +82,7 @@ PairLJ96CutGPU::~PairLJ96CutGPU()
 
 void PairLJ96CutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
index ebc9f889430ae3b409888d2a4eabd486e2f9e9a9..134295c69f7a2371d8f91534fad5f605cb2b5518 100644
--- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
@@ -99,8 +99,7 @@ PairLJCharmmCoulLongGPU::~PairLJCharmmCoulLongGPU()
 
 void PairLJCharmmCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp
index 797680c032d365142bf9189d51746acb108ab9a4..fdffb06a8d33cb8559ff37ce36abef4bfad769af 100644
--- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp
@@ -96,8 +96,7 @@ PairLJClass2CoulLongGPU::~PairLJClass2CoulLongGPU()
 
 void PairLJClass2CoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp
index 8a9b2b31e853b6d18bca24cb1cd57b3495ffe2a5..bbb916816999d25991fb4ac8d17314eed8f90759 100644
--- a/src/GPU/pair_lj_class2_gpu.cpp
+++ b/src/GPU/pair_lj_class2_gpu.cpp
@@ -81,8 +81,7 @@ PairLJClass2GPU::~PairLJClass2GPU()
 
 void PairLJClass2GPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cubic_gpu.cpp b/src/GPU/pair_lj_cubic_gpu.cpp
index 669eae4ee48d412ddad30603967deed9f2e18005..95eee6ae8f765396dcd0ce427defe5517135d72a 100644
--- a/src/GPU/pair_lj_cubic_gpu.cpp
+++ b/src/GPU/pair_lj_cubic_gpu.cpp
@@ -86,8 +86,7 @@ PairLJCubicGPU::~PairLJCubicGPU()
 
 void PairLJCubicGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
index 99c7bb1c66dc864335dc643c7ab97bbd75ed3647..69fefbcdeaf2d20e3a3e65af7aa347d23d34d2d1 100644
--- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
@@ -87,8 +87,7 @@ PairLJCutCoulCutGPU::~PairLJCutCoulCutGPU()
 
 void PairLJCutCoulCutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
index 450eca5c470d324ed68d165ba15a20c56a65cbb0..de86c58647e8751fcd9d0e78e4a9072e5d786b51 100644
--- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
@@ -89,8 +89,7 @@ ljcd_gpu_clear();
 
 void PairLJCutCoulDebyeGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
index abe7394a8cc57e55b9b24ab6eab5fe2337a18acf..87eac527494f3c2bfd95aabd4fc8f225cde6cadd 100644
--- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
@@ -98,8 +98,7 @@ PairLJCutCoulDSFGPU::~PairLJCutCoulDSFGPU()
 
 void PairLJCutCoulDSFGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp
index 943d12b0fec4fd1ab3ee8956f63dcb82102303cc..c854dab83d0422b648c31a539597d2086f5e992d 100644
--- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp
@@ -99,8 +99,7 @@ PairLJCutCoulLongGPU::~PairLJCutCoulLongGPU()
 
 void PairLJCutCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
index 46cf6f19bc30dceb71b9697a2cafdd36253866c6..f87dc0ec916e000a36e425896209c2608ffaaa83 100644
--- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
@@ -88,8 +88,7 @@ PairLJCutCoulMSMGPU::~PairLJCutCoulMSMGPU()
 
 void PairLJCutCoulMSMGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
index 1f4528cb88e4a73864553ed57506960595f8697d..d2c925d95032d37f52cfb22b17f239e662c55d7d 100644
--- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
@@ -89,8 +89,7 @@ PairLJCutDipoleCutGPU::~PairLJCutDipoleCutGPU()
 
 void PairLJCutDipoleCutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
@@ -199,8 +198,7 @@ void PairLJCutDipoleCutGPU::cpu_compute(int start, int inum, int eflag, int vfla
   int *jlist;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
index b209fa0ee726c71e7f003dd870992f7d2643a74c..774ff2fae43c49e6e19e3611234f5ee915511e69 100644
--- a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
+++ b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
@@ -100,8 +100,7 @@ PairLJCutDipoleLongGPU::~PairLJCutDipoleLongGPU()
 
 void PairLJCutDipoleLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
@@ -228,8 +227,7 @@ void PairLJCutDipoleLongGPU::cpu_compute(int start, int inum, int eflag, int vfl
   int *jlist;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp
index 9a6be3aab9d6ce61c3d10a40efcc21ae8eefac1e..6dde9689f73b1c9f66fbcd3e5d7bdb66133b9041 100644
--- a/src/GPU/pair_lj_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_gpu.cpp
@@ -86,8 +86,7 @@ PairLJCutGPU::~PairLJCutGPU()
 
 void PairLJCutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.cpp b/src/GPU/pair_lj_expand_coul_long_gpu.cpp
index 4161155980cd5a5167f5fd996e379a3fd843c7ca..31f4fd651cfb5774617357a82616bbf92fa8e09c 100644
--- a/src/GPU/pair_lj_expand_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_expand_coul_long_gpu.cpp
@@ -99,8 +99,7 @@ PairLJExpandCoulLongGPU::~PairLJExpandCoulLongGPU()
 
 void PairLJExpandCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp
index 36378bf10ebb90e62aa2c38fe92d4d343f301982..a2e1cf54e3bf9e6f960a41dcf6301604f5589933 100644
--- a/src/GPU/pair_lj_expand_gpu.cpp
+++ b/src/GPU/pair_lj_expand_gpu.cpp
@@ -85,8 +85,7 @@ PairLJExpandGPU::~PairLJExpandGPU()
 
 void PairLJExpandGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp
index cc7010b29559029d13e9b067455fedf38ded117f..e03f4b2e50db8ce6c8bbfd2bbbd47c1132b444d0 100644
--- a/src/GPU/pair_lj_gromacs_gpu.cpp
+++ b/src/GPU/pair_lj_gromacs_gpu.cpp
@@ -87,8 +87,7 @@ PairLJGromacsGPU::~PairLJGromacsGPU()
 
 void PairLJGromacsGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
index 4dbd8874d65751c50da0398776f96389d7043860..f5029df5dc5394a96bd035e384d67a90b768c7eb 100644
--- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
@@ -102,8 +102,7 @@ PairLJSDKCoulLongGPU::~PairLJSDKCoulLongGPU()
 
 void PairLJSDKCoulLongGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp
index 84d224a8c4caca209b43828e2f9c8ab6ae4ddd03..4797a3440878daa326d076e055ec4c11e99960fa 100644
--- a/src/GPU/pair_lj_sdk_gpu.cpp
+++ b/src/GPU/pair_lj_sdk_gpu.cpp
@@ -87,8 +87,7 @@ PairLJSDKGPU::~PairLJSDKGPU()
 
 void PairLJSDKGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
index a5ebb1dbc1774234aacade666c565889b686f9ff..dd25a70eeecb86d5eccc9d6ad80d1ae777781968 100644
--- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
+++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
@@ -88,8 +88,7 @@ PairLJSFDipoleSFGPU::~PairLJSFDipoleSFGPU()
 
 void PairLJSFDipoleSFGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
@@ -202,8 +201,7 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
   int *jlist;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp
index e52577ee4c9ac5922062227192508c659064ccd5..838d28033fb1bbe743873091de96f428c38b7183 100644
--- a/src/GPU/pair_mie_cut_gpu.cpp
+++ b/src/GPU/pair_mie_cut_gpu.cpp
@@ -83,8 +83,7 @@ PairMIECutGPU::~PairMIECutGPU()
 
 void PairMIECutGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp
index 7abf78ff30cde88167755cfca67b8b0d684ba252..1f94643e3a5e81f6816e41962637a5cfa6001676 100644
--- a/src/GPU/pair_morse_gpu.cpp
+++ b/src/GPU/pair_morse_gpu.cpp
@@ -81,8 +81,7 @@ PairMorseGPU::~PairMorseGPU()
 
 void PairMorseGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp
index b6fada089770a493e61601ab288d938b7e90ea56..5e90f788bf482f807de6946185f33bce4ad9d8af 100644
--- a/src/GPU/pair_resquared_gpu.cpp
+++ b/src/GPU/pair_resquared_gpu.cpp
@@ -94,8 +94,7 @@ PairRESquaredGPU::~PairRESquaredGPU()
 
 void PairRESquaredGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp
index eed1bd5db301528bf3869e490995e0be8ccae94e..42adb02553a1c157c7e3ba51dea1791c44d25aa2 100644
--- a/src/GPU/pair_soft_gpu.cpp
+++ b/src/GPU/pair_soft_gpu.cpp
@@ -86,8 +86,7 @@ PairSoftGPU::~PairSoftGPU()
 
 void PairSoftGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp
index 5368bee95904ffd1cf805bfcc5936d4846b028f9..0cc858e57dafa587e0ee920db00e9caff06ebd8b 100644
--- a/src/GPU/pair_sw_gpu.cpp
+++ b/src/GPU/pair_sw_gpu.cpp
@@ -93,8 +93,7 @@ PairSWGPU::~PairSWGPU()
 
 void PairSWGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp
index d0185b85e843dc9a92343da251adfb15de26be15..a0b6562e5e32d12737e80e5045a5c6e7ce2587e7 100644
--- a/src/GPU/pair_table_gpu.cpp
+++ b/src/GPU/pair_table_gpu.cpp
@@ -89,8 +89,7 @@ PairTableGPU::~PairTableGPU()
 
 void PairTableGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_tersoff_gpu.cpp b/src/GPU/pair_tersoff_gpu.cpp
index 535b56163ea2036e326f453cfcac254f139bad0d..cd0c5e669398532856b6e36fa5f656dfabd589e0 100644
--- a/src/GPU/pair_tersoff_gpu.cpp
+++ b/src/GPU/pair_tersoff_gpu.cpp
@@ -97,8 +97,7 @@ PairTersoffGPU::~PairTersoffGPU()
 
 void PairTersoffGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_tersoff_mod_gpu.cpp b/src/GPU/pair_tersoff_mod_gpu.cpp
index f8b6c50db5620853641d9bce6caad90df3b4f6b2..fd55ddc6e686e0c4aa2992179bb5509a9b706c41 100644
--- a/src/GPU/pair_tersoff_mod_gpu.cpp
+++ b/src/GPU/pair_tersoff_mod_gpu.cpp
@@ -90,8 +90,7 @@ PairTersoffMODGPU::~PairTersoffMODGPU()
 
 void PairTersoffMODGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_tersoff_zbl_gpu.cpp b/src/GPU/pair_tersoff_zbl_gpu.cpp
index b45503d759e47931137e5892352c279d902fa197..d3828962e274ac17347d7d600a7ed9f0118998f1 100644
--- a/src/GPU/pair_tersoff_zbl_gpu.cpp
+++ b/src/GPU/pair_tersoff_zbl_gpu.cpp
@@ -98,8 +98,7 @@ PairTersoffZBLGPU::~PairTersoffZBLGPU()
 
 void PairTersoffZBLGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_ufm_gpu.cpp b/src/GPU/pair_ufm_gpu.cpp
index 688e3ef4dc09c1714961d9129f6fa4ddc420436b..31422b0f4da6c0aea4319661a8ed0675d4860e30 100644
--- a/src/GPU/pair_ufm_gpu.cpp
+++ b/src/GPU/pair_ufm_gpu.cpp
@@ -88,8 +88,7 @@ PairUFMGPU::~PairUFMGPU()
 
 void PairUFMGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_vashishta_gpu.cpp b/src/GPU/pair_vashishta_gpu.cpp
index 84936f2c26d0255e03dc59531e9c7686e981b9f1..b496359b8a175cf996eea3b5bf7ec8afd310550c 100644
--- a/src/GPU/pair_vashishta_gpu.cpp
+++ b/src/GPU/pair_vashishta_gpu.cpp
@@ -94,8 +94,7 @@ PairVashishtaGPU::~PairVashishtaGPU()
 
 void PairVashishtaGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp
index 556dece7f85441ce3b342eeff52a6b6a2ad398c1..3645f392a285759807aeb7e9c19fd13642b3b135 100644
--- a/src/GPU/pair_yukawa_colloid_gpu.cpp
+++ b/src/GPU/pair_yukawa_colloid_gpu.cpp
@@ -84,8 +84,7 @@ PairYukawaColloidGPU::~PairYukawaColloidGPU()
 
 void PairYukawaColloidGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp
index 9d3ea6f5a7a102d522f203c3a6f3fb62c3f4ec4d..90317fea34e049291238022801e423aa23278b06 100644
--- a/src/GPU/pair_yukawa_gpu.cpp
+++ b/src/GPU/pair_yukawa_gpu.cpp
@@ -83,8 +83,7 @@ PairYukawaGPU::~PairYukawaGPU()
 
 void PairYukawaGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pair_zbl_gpu.cpp b/src/GPU/pair_zbl_gpu.cpp
index c9b8dd75a1b5809430f9d644845542852d984d6b..99471cbe902f26f97b65c3eebbdc1535787c1019 100644
--- a/src/GPU/pair_zbl_gpu.cpp
+++ b/src/GPU/pair_zbl_gpu.cpp
@@ -86,8 +86,7 @@ PairZBLGPU::~PairZBLGPU()
 
 void PairZBLGPU::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int nall = atom->nlocal + atom->nghost;
   int inum, host_start;
diff --git a/src/GPU/pppm_gpu.cpp b/src/GPU/pppm_gpu.cpp
index 4b460b1280e47ca8f7edb1d9b688e883a3334a6e..1bb1a39703c90ef664e192089509b5d7b0cec328 100644
--- a/src/GPU/pppm_gpu.cpp
+++ b/src/GPU/pppm_gpu.cpp
@@ -199,9 +199,7 @@ void PPPMGPU::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-        eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // If need per-atom energies/virials, allocate per-atom arrays here
   // so that particle map on host can be done concurrently with GPU calculations
diff --git a/src/GRANULAR/fix_wall_gran.cpp b/src/GRANULAR/fix_wall_gran.cpp
index f0957423f94f6d9cb4db4400693619abb2a5bf9f..8513fc702b480fd4e2dd4a277cdd8a7e5395a53e 100644
--- a/src/GRANULAR/fix_wall_gran.cpp
+++ b/src/GRANULAR/fix_wall_gran.cpp
@@ -39,15 +39,34 @@ using namespace MathConst;
 // XYZ PLANE need to be 0,1,2
 
 enum{XPLANE=0,YPLANE=1,ZPLANE=2,ZCYLINDER,REGION};
-enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,BONDED_HISTORY};
+enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,GRANULAR};
 enum{NONE,CONSTANT,EQUAL};
 
+#define PI27SQ 266.47931882941264802866    // 27*PI**2
+#define THREEROOT3 5.19615242270663202362  // 3*sqrt(3)
+#define SIXROOT6 14.69693845669906728801   // 6*sqrt(6)
+#define INVROOT6 0.40824829046386307274    // 1/sqrt(6)
+#define FOURTHIRDS 1.333333333333333       // 4/3
+#define THREEQUARTERS 0.75                 // 3/4
+#define TWOPI 6.28318530717959             // 2*PI
+
+#define EPSILON 1e-10
+
+enum {NORMAL_HOOKE, NORMAL_HERTZ, HERTZ_MATERIAL, DMT, JKR};
+enum {VELOCITY, MASS_VELOCITY, VISCOELASTIC, TSUJI};
+enum {TANGENTIAL_NOHISTORY, TANGENTIAL_HISTORY,
+      TANGENTIAL_MINDLIN, TANGENTIAL_MINDLIN_RESCALE};
+enum {TWIST_NONE, TWIST_SDS, TWIST_MARSHALL};
+enum {ROLL_NONE, ROLL_SDS};
+
 #define BIG 1.0e20
+#define EPSILON 1e-10
 
 /* ---------------------------------------------------------------------- */
 
 FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
-  Fix(lmp, narg, arg), idregion(NULL), shearone(NULL), fix_rigid(NULL), mass_rigid(NULL)
+  Fix(lmp, narg, arg), idregion(NULL), history_one(NULL),
+  fix_rigid(NULL), mass_rigid(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal fix wall/gran command");
 
@@ -62,17 +81,18 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
   if (strcmp(arg[3],"hooke") == 0) pairstyle = HOOKE;
   else if (strcmp(arg[3],"hooke/history") == 0) pairstyle = HOOKE_HISTORY;
   else if (strcmp(arg[3],"hertz/history") == 0) pairstyle = HERTZ_HISTORY;
-  //else if (strcmp(arg[3],"bonded/history") == 0) pairstyle = BONDED_HISTORY;
+  else if (strcmp(arg[3],"granular") == 0) pairstyle = GRANULAR;
   else error->all(FLERR,"Invalid fix wall/gran interaction style");
 
-  history = restart_peratom = 1;
-  if (pairstyle == HOOKE) history = restart_peratom = 0;
+  use_history = restart_peratom = 1;
+  if (pairstyle == HOOKE) use_history = restart_peratom = 0;
 
   // wall/particle coefficients
 
   int iarg;
 
-  if (pairstyle != BONDED_HISTORY) {
+  if (pairstyle != GRANULAR) {
+    size_history = 3;
     if (narg < 11) error->all(FLERR,"Illegal fix wall/gran command");
 
     kn = force->numeric(FLERR,arg[4]);
@@ -97,25 +117,190 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
       kn /= force->nktv2p;
       kt /= force->nktv2p;
     }
-
     iarg = 10;
-  }
-
-  else {
-    if (narg < 10) error->all(FLERR,"Illegal fix wall/gran command");
-
-    E = force->numeric(FLERR,arg[4]);
-    G = force->numeric(FLERR,arg[5]);
-    SurfEnergy = force->numeric(FLERR,arg[6]);
-    // Note: this doesn't get used, check w/ Jeremy?
-    gamman = force->numeric(FLERR,arg[7]);
-
-    xmu = force->numeric(FLERR,arg[8]);
-    // pois = E/(2.0*G) - 1.0;
-    // kn = 2.0*E/(3.0*(1.0+pois)*(1.0-pois));
-    // gammat=0.5*gamman;
-
-    iarg = 9;
+  } else {
+    iarg = 4;
+    damping_model = VISCOELASTIC;
+    roll_model = twist_model = NONE;
+    tangential_history = roll_history = twist_history = 0;
+    while (iarg < narg) {
+      if (strcmp(arg[iarg], "hooke") == 0) {
+        if (iarg + 2 >= narg)
+          error->all(FLERR,"Illegal fix wall/gran command, "
+                     "not enough parameters provided for Hooke option");
+        normal_model = NORMAL_HOOKE;
+        normal_coeffs[0] = force->numeric(FLERR,arg[iarg+1]); //kn
+        normal_coeffs[1] = force->numeric(FLERR,arg[iarg+2]); //damping
+        iarg += 3;
+      } else if (strcmp(arg[iarg], "hertz") == 0) {
+        int num_coeffs = 2;
+        if (iarg + num_coeffs >= narg)
+          error->all(FLERR,"Illegal fix wall/gran command, "
+                     "not enough parameters provided for Hertz option");
+        normal_model = NORMAL_HERTZ;
+        normal_coeffs[0] = force->numeric(FLERR,arg[iarg+1]); //kn
+        normal_coeffs[1] = force->numeric(FLERR,arg[iarg+2]); //damping
+        iarg += num_coeffs+1;
+      } else if (strcmp(arg[iarg], "hertz/material") == 0) {
+        int num_coeffs = 3;
+        if (iarg + num_coeffs >= narg)
+          error->all(FLERR,"Illegal fix wall/gran command, "
+                     "not enough parameters provided for Hertz option");
+        normal_model = HERTZ_MATERIAL;
+        Emod = force->numeric(FLERR,arg[iarg+1]); //E
+        normal_coeffs[1] = force->numeric(FLERR,arg[iarg+2]); //damping
+        poiss = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio
+        normal_coeffs[0] = Emod/(2*(1-poiss))*FOURTHIRDS;
+        normal_coeffs[2] = poiss;
+        iarg += num_coeffs+1;
+      } else if (strcmp(arg[iarg], "dmt") == 0) {
+        if (iarg + 4 >= narg)
+          error->all(FLERR,"Illegal fix wall/gran command, "
+                     "not enough parameters provided for Hertz option");
+        normal_model = DMT;
+        Emod = force->numeric(FLERR,arg[iarg+1]); //E
+        normal_coeffs[1] = force->numeric(FLERR,arg[iarg+2]); //damping
+        poiss = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio
+        normal_coeffs[0] = Emod/(2*(1-poiss))*FOURTHIRDS;
+        normal_coeffs[2] = poiss;
+        normal_coeffs[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion
+        iarg += 5;
+      } else if (strcmp(arg[iarg], "jkr") == 0) {
+        if (iarg + 4 >= narg)
+          error->all(FLERR,"Illegal wall/gran command, "
+                     "not enough parameters provided for JKR option");
+        normal_model = JKR;
+        Emod = force->numeric(FLERR,arg[iarg+1]); //E
+        normal_coeffs[1] = force->numeric(FLERR,arg[iarg+2]); //damping
+        poiss = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio
+        normal_coeffs[0] = Emod/(2*(1-poiss))*FOURTHIRDS;
+        normal_coeffs[2] = poiss;
+        normal_coeffs[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion
+        iarg += 5;
+      } else if (strcmp(arg[iarg], "damping") == 0) {
+        if (iarg+1 >= narg)
+          error->all(FLERR, "Illegal wall/gran command, "
+                     "not enough parameters provided for damping model");
+        if (strcmp(arg[iarg+1], "velocity") == 0) {
+          damping_model = VELOCITY;
+          iarg += 1;
+        } else if (strcmp(arg[iarg+1], "mass_velocity") == 0) {
+          damping_model = MASS_VELOCITY;
+          iarg += 1;
+        } else if (strcmp(arg[iarg+1], "viscoelastic") == 0) {
+          damping_model = VISCOELASTIC;
+          iarg += 1;
+        } else if (strcmp(arg[iarg+1], "tsuji") == 0) {
+          damping_model = TSUJI;
+          iarg += 1;
+        } else error->all(FLERR, "Illegal wall/gran command, "
+                          "unrecognized damping model");
+        iarg += 1;
+      } else if (strcmp(arg[iarg], "tangential") == 0) {
+        if (iarg + 1 >= narg)
+          error->all(FLERR,"Illegal pair_coeff command, "
+                     "must specify tangential model after tangential keyword");
+        if (strcmp(arg[iarg+1], "linear_nohistory") == 0) {
+          if (iarg + 3 >= narg)
+            error->all(FLERR,"Illegal pair_coeff command, "
+                       "not enough parameters provided for tangential model");
+          tangential_model = TANGENTIAL_NOHISTORY;
+          tangential_coeffs[0] = 0;
+          // gammat and friction coeff
+          tangential_coeffs[1] = force->numeric(FLERR,arg[iarg+2]);
+          tangential_coeffs[2] = force->numeric(FLERR,arg[iarg+3]);
+          iarg += 4;
+        } else if ((strcmp(arg[iarg+1], "linear_history") == 0) ||
+            (strcmp(arg[iarg+1], "mindlin") == 0) ||
+            (strcmp(arg[iarg+1], "mindlin_rescale") == 0)) {
+          if (iarg + 4 >= narg)
+            error->all(FLERR,"Illegal pair_coeff command, "
+                       "not enough parameters provided for tangential model");
+          if (strcmp(arg[iarg+1], "linear_history") == 0)
+            tangential_model = TANGENTIAL_HISTORY;
+          else if (strcmp(arg[iarg+1], "mindlin") == 0)
+            tangential_model = TANGENTIAL_MINDLIN;
+          else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0)
+            tangential_model = TANGENTIAL_MINDLIN_RESCALE;
+          if ((tangential_model == TANGENTIAL_MINDLIN ||
+               tangential_model == TANGENTIAL_MINDLIN_RESCALE) &&
+              (strcmp(arg[iarg+2], "NULL") == 0)) {
+            if (normal_model == NORMAL_HERTZ || normal_model == NORMAL_HOOKE) {
+              error->all(FLERR, "NULL setting for Mindlin tangential "
+                         "stiffness requires a normal contact model "
+                         "that specifies material properties");
+            }
+            tangential_coeffs[0] = Emod/4*(2-poiss)*(1+poiss);
+          } else {
+            tangential_coeffs[0] = force->numeric(FLERR,arg[iarg+2]); //kt
+          }
+          tangential_history = 1;
+          // gammat and friction coeff
+          tangential_coeffs[1] = force->numeric(FLERR,arg[iarg+3]);
+          tangential_coeffs[2] = force->numeric(FLERR,arg[iarg+4]);
+          iarg += 5;
+        } else {
+          error->all(FLERR, "Illegal pair_coeff command, "
+                     "tangential model not recognized");
+        }
+      } else if (strcmp(arg[iarg], "rolling") == 0) {
+        if (iarg + 1 >= narg)
+          error->all(FLERR, "Illegal wall/gran command, not enough parameters");
+        if (strcmp(arg[iarg+1], "none") == 0) {
+          roll_model = ROLL_NONE;
+          iarg += 2;
+        } else if (strcmp(arg[iarg+1], "sds") == 0) {
+          if (iarg + 4 >= narg)
+            error->all(FLERR,"Illegal wall/gran command, "
+                       "not enough parameters provided for rolling model");
+          roll_model = ROLL_SDS;
+          roll_history = 1;
+          // kR, gammaR, rolling friction coeff
+          roll_coeffs[0] = force->numeric(FLERR,arg[iarg+2]);
+          roll_coeffs[1] = force->numeric(FLERR,arg[iarg+3]);
+          roll_coeffs[2] = force->numeric(FLERR,arg[iarg+4]);
+          iarg += 5;
+        } else {
+          error->all(FLERR, "Illegal wall/gran command, "
+                     "rolling friction model not recognized");
+        }
+      } else if (strcmp(arg[iarg], "twisting") == 0) {
+        if (iarg + 1 >= narg)
+          error->all(FLERR, "Illegal wall/gran command, not enough parameters");
+        if (strcmp(arg[iarg+1], "none") == 0) {
+          twist_model = TWIST_NONE;
+          iarg += 2;
+        } else if (strcmp(arg[iarg+1], "marshall") == 0) {
+          twist_model = TWIST_MARSHALL;
+          twist_history = 1;
+          iarg += 2;
+        } else if (strcmp(arg[iarg+1], "sds") == 0) {
+          if (iarg + 4 >= narg)
+            error->all(FLERR,"Illegal wall/gran command, "
+                       "not enough parameters provided for twist model");
+          twist_model = TWIST_SDS;
+          twist_history = 1;
+          twist_coeffs[0] = force->numeric(FLERR,arg[iarg+2]); //kt
+          twist_coeffs[1] = force->numeric(FLERR,arg[iarg+3]); //gammat
+          twist_coeffs[2] = force->numeric(FLERR,arg[iarg+4]); //friction coeff.
+          iarg += 5;
+        } else {
+          error->all(FLERR, "Illegal wall/gran command, "
+                     "twisting friction model not recognized");
+        }
+      } else if (strcmp(arg[iarg], "xplane") == 0 ||
+          strcmp(arg[iarg], "yplane") == 0 ||
+          strcmp(arg[iarg], "zplane") == 0 ||
+          strcmp(arg[iarg], "zcylinder") == 0 ||
+          strcmp(arg[iarg], "region") == 0) {
+        break;
+      } else {
+        error->all(FLERR, "Illegal fix wall/gran command");
+      }
+    }
+    size_history = 3*tangential_history + 3*roll_history + twist_history;
+    if (normal_model == JKR) size_history += 1;
+    if (tangential_model == TANGENTIAL_MINDLIN_RESCALE) size_history += 1;
   }
 
   // wallstyle args
@@ -165,6 +350,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
 
   wiggle = 0;
   wshear = 0;
+  peratom_flag = 0;
 
   while (iarg < narg) {
     if (strcmp(arg[iarg],"wiggle") == 0) {
@@ -186,6 +372,11 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
       vshear = force->numeric(FLERR,arg[iarg+2]);
       wshear = 1;
       iarg += 3;
+    } else if (strcmp(arg[iarg],"store_contacts") == 0) {
+      peratom_flag = 1;
+      size_peratom_cols = 8;
+      peratom_freq = 1;
+      iarg += 1;
     } else error->all(FLERR,"Illegal fix wall/gran command");
   }
 
@@ -218,10 +409,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
   // perform initial allocation of atom-based arrays
   // register with Atom class
 
-  if (pairstyle == BONDED_HISTORY) sheardim = 7;
-  else sheardim = 3;
-
-  shearone = NULL;
+  history_one = NULL;
   grow_arrays(atom->nmax);
   atom->add_callback(0);
   atom->add_callback(1);
@@ -229,14 +417,21 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
   nmax = 0;
   mass_rigid = NULL;
 
-  // initialize shear history as if particle is not touching region
-  // shearone will be NULL for wallstyle = REGION
+  // initialize history as if particle is not touching region
+  // history_one will be NULL for wallstyle = REGION
+
+  if (use_history && history_one) {
+    int nlocal = atom->nlocal;
+    for (int i = 0; i < nlocal; i++)
+      for (int j = 0; j < size_history; j++)
+        history_one[i][j] = 0.0;
+  }
 
-  if (history && shearone) {
+  if (peratom_flag) {
     int nlocal = atom->nlocal;
     for (int i = 0; i < nlocal; i++)
-      for (int j = 0; j < sheardim; j++)
-        shearone[i][j] = 0.0;
+      for (int m = 0; m < size_peratom_cols; m++)
+        array_atom[i][m] = 0.0;
   }
 
   time_origin = update->ntimestep;
@@ -254,7 +449,7 @@ FixWallGran::~FixWallGran()
   // delete local storage
 
   delete [] idregion;
-  memory->destroy(shearone);
+  memory->destroy(history_one);
   memory->destroy(mass_rigid);
 }
 
@@ -285,6 +480,38 @@ void FixWallGran::init()
   for (i = 0; i < modify->nfix; i++)
     if (modify->fix[i]->rigid_flag) break;
   if (i < modify->nfix) fix_rigid = modify->fix[i];
+
+  tangential_history_index = 0;
+  if (roll_history) {
+    if (tangential_history) roll_history_index = 3;
+    else roll_history_index = 0;
+  }
+  if (twist_history) {
+    if (tangential_history) {
+      if (roll_history) twist_history_index = 6;
+      else twist_history_index = 3;
+    }
+    else{
+      if (roll_history) twist_history_index = 3;
+      else twist_history_index = 0;
+    }
+  }
+  if (normal_model == JKR) {
+    tangential_history_index += 1;
+    roll_history_index += 1;
+    twist_history_index += 1;
+  }
+  if (tangential_model == TANGENTIAL_MINDLIN_RESCALE) {
+    roll_history_index += 1;
+    twist_history_index += 1;
+  }
+
+  if (damping_model == TSUJI) {
+    double cor = normal_coeffs[1];
+    normal_coeffs[1] = 1.2728-4.2783*cor+11.087*pow(cor,2)-22.348*pow(cor,3)+
+        27.467*pow(cor,4)-18.022*pow(cor,5)+
+        4.8218*pow(cor,6);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -308,10 +535,10 @@ void FixWallGran::post_force(int /*vflag*/)
   double dx,dy,dz,del1,del2,delxy,delr,rsq,rwall,meff;
   double vwall[3];
 
-  // do not update shear history during setup
+  // do not update history during setup
 
-  shearupdate = 1;
-  if (update->setupflag) shearupdate = 0;
+  history_update = 1;
+  if (update->setupflag) history_update = 0;
 
   // if just reneighbored:
   // update rigid body masses for owned atoms if using FixRigid
@@ -357,7 +584,7 @@ void FixWallGran::post_force(int /*vflag*/)
   //   if wall was set to NULL, it's skipped since lo/hi are infinity
   // compute force and torque on atom if close enough to wall
   //   via wall potential matched to pair potential
-  // set shear if pair potential stores history
+  // set history if pair potential stores history
 
   double **x = atom->x;
   double **v = atom->v;
@@ -412,12 +639,28 @@ void FixWallGran::post_force(int /*vflag*/)
 
       rsq = dx*dx + dy*dy + dz*dz;
 
-      if (rsq > radius[i]*radius[i]) {
-        if (history)
-          for (j = 0; j < sheardim; j++)
-            shearone[i][j] = 0.0;
+      double rad;
+      if (pairstyle == GRANULAR && normal_model == JKR) {
+        rad = radius[i] + pulloff_distance(radius[i]);
+      }
+      else
+        rad = radius[i];
 
-      } else {
+      if (rsq > rad*rad) {
+        if (use_history)
+          for (j = 0; j < size_history; j++)
+            history_one[i][j] = 0.0;
+      }
+      else {
+        if (pairstyle == GRANULAR && normal_model == JKR && use_history) {
+          if ((history_one[i][0] == 0) && (rsq > radius[i]*radius[i])) {
+            // Particles have not contacted yet,
+            // and are outside of contact distance
+            for (j = 0; j < size_history; j++)
+              history_one[i][j] = 0.0;
+            continue;
+          }
+        }
 
         // meff = effective mass of sphere
         // if I is part of rigid body, use body mass
@@ -425,20 +668,37 @@ void FixWallGran::post_force(int /*vflag*/)
         meff = rmass[i];
         if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
 
+        // store contact info
+        if (peratom_flag) {
+          array_atom[i][0] = (double)atom->tag[i];
+          array_atom[i][4] = x[i][0] - dx;
+          array_atom[i][5] = x[i][1] - dy;
+          array_atom[i][6] = x[i][2] - dz;
+          array_atom[i][7] = radius[i];
+        }
+
         // invoke sphere/wall interaction
+        double *contact;
+        if (peratom_flag)
+          contact = array_atom[i];
+        else
+          contact = NULL;
 
         if (pairstyle == HOOKE)
           hooke(rsq,dx,dy,dz,vwall,v[i],f[i],
-                omega[i],torque[i],radius[i],meff);
+              omega[i],torque[i],radius[i],meff, contact);
         else if (pairstyle == HOOKE_HISTORY)
           hooke_history(rsq,dx,dy,dz,vwall,v[i],f[i],
-                        omega[i],torque[i],radius[i],meff,shearone[i]);
+              omega[i],torque[i],radius[i],meff,history_one[i],
+              contact);
         else if (pairstyle == HERTZ_HISTORY)
           hertz_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
-                        omega[i],torque[i],radius[i],meff,shearone[i]);
-        else if (pairstyle == BONDED_HISTORY)
-          bonded_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
-                         omega[i],torque[i],radius[i],meff,shearone[i]);
+              omega[i],torque[i],radius[i],meff,history_one[i],
+              contact);
+        else if (pairstyle == GRANULAR)
+          granular(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
+              omega[i],torque[i],radius[i],meff,history_one[i],
+              contact);
       }
     }
   }
@@ -454,9 +714,9 @@ void FixWallGran::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 /* ---------------------------------------------------------------------- */
 
 void FixWallGran::hooke(double rsq, double dx, double dy, double dz,
-                        double *vwall, double *v,
-                        double *f, double *omega, double *torque,
-                        double radius, double meff)
+    double *vwall, double *v,
+    double *f, double *omega, double *torque,
+    double radius, double meff, double* contact)
 {
   double r,vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
   double wr1,wr2,wr3,damp,ccel,vtr1,vtr2,vtr3,vrel;
@@ -523,6 +783,12 @@ void FixWallGran::hooke(double rsq, double dx, double dy, double dz,
   fy = dy*ccel + fs2;
   fz = dz*ccel + fs3;
 
+  if (peratom_flag) {
+    contact[1] = fx;
+    contact[2] = fy;
+    contact[3] = fz;
+  }
+
   f[0] += fx;
   f[1] += fy;
   f[2] += fz;
@@ -538,9 +804,10 @@ void FixWallGran::hooke(double rsq, double dx, double dy, double dz,
 /* ---------------------------------------------------------------------- */
 
 void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz,
-                                double *vwall, double *v,
-                                double *f, double *omega, double *torque,
-                                double radius, double meff, double *shear)
+    double *vwall, double *v,
+    double *f, double *omega, double *torque,
+    double radius, double meff, double *history,
+    double *contact)
 {
   double r,vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
   double wr1,wr2,wr3,damp,ccel,vtr1,vtr2,vtr3,vrel;
@@ -591,28 +858,29 @@ void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz,
 
   // shear history effects
 
-  if (shearupdate) {
-    shear[0] += vtr1*dt;
-    shear[1] += vtr2*dt;
-    shear[2] += vtr3*dt;
+  if (history_update) {
+    history[0] += vtr1*dt;
+    history[1] += vtr2*dt;
+    history[2] += vtr3*dt;
   }
-  shrmag = sqrt(shear[0]*shear[0] + shear[1]*shear[1] + shear[2]*shear[2]);
+  shrmag = sqrt(history[0]*history[0] + history[1]*history[1] +
+                history[2]*history[2]);
 
   // rotate shear displacements
 
-  rsht = shear[0]*dx + shear[1]*dy + shear[2]*dz;
+  rsht = history[0]*dx + history[1]*dy + history[2]*dz;
   rsht = rsht*rsqinv;
-  if (shearupdate) {
-    shear[0] -= rsht*dx;
-    shear[1] -= rsht*dy;
-    shear[2] -= rsht*dz;
+  if (history_update) {
+    history[0] -= rsht*dx;
+    history[1] -= rsht*dy;
+    history[2] -= rsht*dz;
   }
 
   // tangential forces = shear + tangential velocity damping
 
-  fs1 = - (kt*shear[0] + meff*gammat*vtr1);
-  fs2 = - (kt*shear[1] + meff*gammat*vtr2);
-  fs3 = - (kt*shear[2] + meff*gammat*vtr3);
+  fs1 = - (kt*history[0] + meff*gammat*vtr1);
+  fs2 = - (kt*history[1] + meff*gammat*vtr2);
+  fs3 = - (kt*history[2] + meff*gammat*vtr3);
 
   // rescale frictional displacements and forces if needed
 
@@ -621,12 +889,12 @@ void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz,
 
   if (fs > fn) {
     if (shrmag != 0.0) {
-      shear[0] = (fn/fs) * (shear[0] + meff*gammat*vtr1/kt) -
-        meff*gammat*vtr1/kt;
-      shear[1] = (fn/fs) * (shear[1] + meff*gammat*vtr2/kt) -
-        meff*gammat*vtr2/kt;
-      shear[2] = (fn/fs) * (shear[2] + meff*gammat*vtr3/kt) -
-        meff*gammat*vtr3/kt;
+      history[0] = (fn/fs) * (history[0] + meff*gammat*vtr1/kt) -
+          meff*gammat*vtr1/kt;
+      history[1] = (fn/fs) * (history[1] + meff*gammat*vtr2/kt) -
+          meff*gammat*vtr2/kt;
+      history[2] = (fn/fs) * (history[2] + meff*gammat*vtr3/kt) -
+          meff*gammat*vtr3/kt;
       fs1 *= fn/fs ;
       fs2 *= fn/fs;
       fs3 *= fn/fs;
@@ -643,6 +911,12 @@ void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz,
   f[1] += fy;
   f[2] += fz;
 
+  if (peratom_flag) {
+    contact[1] = fx;
+    contact[2] = fy;
+    contact[3] = fz;
+  }
+
   tor1 = rinv * (dy*fs3 - dz*fs2);
   tor2 = rinv * (dz*fs1 - dx*fs3);
   tor3 = rinv * (dx*fs2 - dy*fs1);
@@ -654,9 +928,10 @@ void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz,
 /* ---------------------------------------------------------------------- */
 
 void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz,
-                                double *vwall, double rwall, double *v,
-                                double *f, double *omega, double *torque,
-                                double radius, double meff, double *shear)
+    double *vwall, double rwall, double *v,
+    double *f, double *omega, double *torque,
+    double radius, double meff, double *history,
+    double *contact)
 {
   double r,vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
   double wr1,wr2,wr3,damp,ccel,vtr1,vtr2,vtr3,vrel;
@@ -714,28 +989,29 @@ void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz,
 
   // shear history effects
 
-  if (shearupdate) {
-    shear[0] += vtr1*dt;
-    shear[1] += vtr2*dt;
-    shear[2] += vtr3*dt;
+  if (history_update) {
+    history[0] += vtr1*dt;
+    history[1] += vtr2*dt;
+    history[2] += vtr3*dt;
   }
-  shrmag = sqrt(shear[0]*shear[0] + shear[1]*shear[1] + shear[2]*shear[2]);
+  shrmag = sqrt(history[0]*history[0] + history[1]*history[1] +
+                history[2]*history[2]);
 
-  // rotate shear displacements
+  // rotate history displacements
 
-  rsht = shear[0]*dx + shear[1]*dy + shear[2]*dz;
+  rsht = history[0]*dx + history[1]*dy + history[2]*dz;
   rsht = rsht*rsqinv;
-  if (shearupdate) {
-    shear[0] -= rsht*dx;
-    shear[1] -= rsht*dy;
-    shear[2] -= rsht*dz;
+  if (history_update) {
+    history[0] -= rsht*dx;
+    history[1] -= rsht*dy;
+    history[2] -= rsht*dz;
   }
 
   // tangential forces = shear + tangential velocity damping
 
-  fs1 = -polyhertz * (kt*shear[0] + meff*gammat*vtr1);
-  fs2 = -polyhertz * (kt*shear[1] + meff*gammat*vtr2);
-  fs3 = -polyhertz * (kt*shear[2] + meff*gammat*vtr3);
+  fs1 = -polyhertz * (kt*history[0] + meff*gammat*vtr1);
+  fs2 = -polyhertz * (kt*history[1] + meff*gammat*vtr2);
+  fs3 = -polyhertz * (kt*history[2] + meff*gammat*vtr3);
 
   // rescale frictional displacements and forces if needed
 
@@ -744,12 +1020,12 @@ void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz,
 
   if (fs > fn) {
     if (shrmag != 0.0) {
-      shear[0] = (fn/fs) * (shear[0] + meff*gammat*vtr1/kt) -
-        meff*gammat*vtr1/kt;
-      shear[1] = (fn/fs) * (shear[1] + meff*gammat*vtr2/kt) -
-        meff*gammat*vtr2/kt;
-      shear[2] = (fn/fs) * (shear[2] + meff*gammat*vtr3/kt) -
-        meff*gammat*vtr3/kt;
+      history[0] = (fn/fs) * (history[0] + meff*gammat*vtr1/kt) -
+          meff*gammat*vtr1/kt;
+      history[1] = (fn/fs) * (history[1] + meff*gammat*vtr2/kt) -
+          meff*gammat*vtr2/kt;
+      history[2] = (fn/fs) * (history[2] + meff*gammat*vtr3/kt) -
+          meff*gammat*vtr3/kt;
       fs1 *= fn/fs ;
       fs2 *= fn/fs;
       fs3 *= fn/fs;
@@ -762,6 +1038,12 @@ void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz,
   fy = dy*ccel + fs2;
   fz = dz*ccel + fs3;
 
+  if (peratom_flag) {
+    contact[1] = fx;
+    contact[2] = fy;
+    contact[3] = fz;
+  }
+
   f[0] += fx;
   f[1] += fy;
   f[2] += fz;
@@ -774,33 +1056,59 @@ void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz,
   torque[2] -= radius*tor3;
 }
 
-
 /* ---------------------------------------------------------------------- */
 
-void FixWallGran::bonded_history(double rsq, double dx, double dy, double dz,
-                                 double *vwall, double rwall, double *v,
-                                 double *f, double *omega, double *torque,
-                                 double radius, double meff, double *shear)
+void FixWallGran::granular(double rsq, double dx, double dy, double dz,
+                           double *vwall, double rwall, double *v,
+                           double *f, double *omega, double *torque,
+                           double radius, double meff, double *history,
+                           double *contact)
 {
-  double r,vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
-  double wr1,wr2,wr3,damp,ccel,vtr1,vtr2,vtr3,vrel;
-  double fn,fs,fs1,fs2,fs3,fx,fy,fz,tor1,tor2,tor3;
-  double shrmag,rsht,polyhertz,rinv,rsqinv;
+  double fx,fy,fz,nx,ny,nz;
+  double r,rinv;
+  double Reff, delta, dR, dR2;
+
+  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
+  double wr1,wr2,wr3;
+  double vtr1,vtr2,vtr3,vrel;
+
+  double knfac, damp_normal, damp_normal_prefactor;
+  double k_tangential, damp_tangential;
+  double Fne, Ft, Fdamp, Fntot, Fncrit, Fscrit, Frcrit;
+  double fs, fs1, fs2, fs3;
 
-  double pois,E_eff,G_eff,rad_eff;
-  double a0,Fcrit,delcrit,delcritinv;
-  double overlap,olapsq,olapcubed,sqrtterm,tmp,keyterm,keyterm2,keyterm3;
-  double aovera0,foverFc;
-  double gammatsuji;
+  double tor1,tor2,tor3;
+  double relrot1,relrot2,relrot3,vrl1,vrl2,vrl3;
 
-  double ktwist,kroll,twistcrit,rollcrit;
-  double relrot1,relrot2,relrot3,vrl1,vrl2,vrl3,vrlmag,vrlmaginv;
-  double magtwist,magtortwist;
-  double magrollsq,magroll,magrollinv,magtorroll;
+  // for JKR
+  double R2, coh, F_pulloff, a, a2, E;
+  double t0, t1, t2, t3, t4, t5, t6;
+  double sqrt1, sqrt2, sqrt3;
+
+  // rolling
+  double k_roll, damp_roll;
+  double torroll1, torroll2, torroll3;
+  double rollmag, rolldotn, scalefac;
+  double fr, fr1, fr2, fr3;
+
+  // twisting
+  double k_twist, damp_twist, mu_twist;
+  double signtwist, magtwist, magtortwist, Mtcrit;
+  double tortwist1, tortwist2, tortwist3;
+
+  double shrmag,rsht;
 
   r = sqrt(rsq);
+  E = normal_coeffs[0];
+
+  if (rwall == 0) Reff = radius;
+  else Reff = radius*rwall/(radius+rwall);
+
   rinv = 1.0/r;
-  rsqinv = 1.0/rsq;
+
+  nx = dx*rinv;
+  ny = dy*rinv;
+  nz = dz*rinv;
 
   // relative translational velocity
 
@@ -810,209 +1118,318 @@ void FixWallGran::bonded_history(double rsq, double dx, double dy, double dz,
 
   // normal component
 
-  vnnr = vr1*dx + vr2*dy + vr3*dz;
-  vn1 = dx*vnnr / rsq;
-  vn2 = dy*vnnr / rsq;
-  vn3 = dz*vnnr / rsq;
+  vnnr = vr1*nx + vr2*ny + vr3*nz; //v_R . n
+  vn1 = nx*vnnr;
+  vn2 = ny*vnnr;
+  vn3 = nz*vnnr;
+
+  delta = radius - r;
+  dR = delta*Reff;
+  if (normal_model == JKR) {
+    history[0] = 1.0;
+    E *= THREEQUARTERS;
+    R2=Reff*Reff;
+    coh = normal_coeffs[3];
+    dR2 = dR*dR;
+    t0 = coh*coh*R2*R2*E;
+    t1 = PI27SQ*t0;
+    t2 = 8*dR*dR2*E*E*E;
+    t3 = 4*dR2*E;
+    sqrt1 = MAX(0, t0*(t1+2*t2)); // in case sqrt(0) < 0 due to precision issues
+    t4 = cbrt(t1+t2+THREEROOT3*M_PI*sqrt(sqrt1));
+    t5 = t3/t4 + t4/E;
+    sqrt2 = MAX(0, 2*dR + t5);
+    t6 = sqrt(sqrt2);
+    sqrt3 = MAX(0, 4*dR - t5 + SIXROOT6*coh*M_PI*R2/(E*t6));
+    a = INVROOT6*(t6 + sqrt(sqrt3));
+    a2 = a*a;
+    knfac = normal_coeffs[0]*a;
+    Fne = knfac*a2/Reff - TWOPI*a2*sqrt(4*coh*E/(M_PI*a));
+  }
+  else{
+    knfac = E; //Hooke
+    a = sqrt(dR);
+    if (normal_model != HOOKE) {
+      Fne *= a;
+      knfac *= a;
+    }
+    Fne = knfac*delta;
+    if (normal_model == DMT)
+      Fne -= 4*MY_PI*normal_coeffs[3]*Reff;
+  }
 
-  // tangential component
+  if (damping_model == VELOCITY) {
+    damp_normal = 1;
+  }
+  else if (damping_model == MASS_VELOCITY) {
+    damp_normal = meff;
+  }
+  else if (damping_model == VISCOELASTIC) {
+    damp_normal = a*meff;
+  }
+  else if (damping_model == TSUJI) {
+    damp_normal = sqrt(meff*knfac);
+  }
+
+  damp_normal_prefactor = normal_coeffs[1]*damp_normal;
+  Fdamp = -damp_normal_prefactor*vnnr;
 
+  Fntot = Fne + Fdamp;
+
+  //****************************************
+  // tangential force, including history effects
+  //****************************************
+
+  // tangential component
   vt1 = vr1 - vn1;
   vt2 = vr2 - vn2;
   vt3 = vr3 - vn3;
 
   // relative rotational velocity
-
-  wr1 = radius*omega[0] * rinv;
-  wr2 = radius*omega[1] * rinv;
-  wr3 = radius*omega[2] * rinv;
-
-  // normal forces = Hertzian contact + normal velocity damping
-  // material properties: currently assumes identical materials
-
-  pois = E/(2.0*G) - 1.0;
-  E_eff=0.5*E/(1.0-pois*pois);
-  G_eff=G/(4.0-2.0*pois);
-
-  // rwall = 0 is infinite wall radius of curvature (flat wall)
-
-  if (rwall == 0) rad_eff = radius;
-  else rad_eff = radius*rwall/(radius+rwall);
-
-  Fcrit = rad_eff * (3.0 * M_PI * SurfEnergy);
-  a0=pow(9.0*M_PI*SurfEnergy*rad_eff*rad_eff/E_eff,1.0/3.0);
-  delcrit = 1.0/rad_eff*(0.5 * a0*a0/pow(6.0,1.0/3.0));
-  delcritinv = 1.0/delcrit;
-
-  overlap = (radius-r) * delcritinv;
-  olapsq = overlap*overlap;
-  olapcubed = olapsq*overlap;
-  sqrtterm = sqrt(1.0 + olapcubed);
-  tmp = 2.0 + olapcubed + 2.0*sqrtterm;
-  keyterm = pow(tmp,THIRD);
-  keyterm2 = olapsq/keyterm;
-  keyterm3 = sqrt(overlap + keyterm2 + keyterm);
-  aovera0 = pow(6.0,-TWOTHIRDS) * (keyterm3 +
-            sqrt(2.0*overlap - keyterm2 - keyterm + 4.0/keyterm3));
-  foverFc = 4.0*((aovera0*aovera0*aovera0) - pow(aovera0,1.5));
-  ccel = Fcrit*foverFc*rinv;
-
-  // damp = meff*gamman*vnnr*rsqinv;
-  // ccel = kn*(radius-r)*rinv - damp;
-  // polyhertz = sqrt((radius-r)*radius);
-  // ccel *= polyhertz;
-
-  // use Tsuji et al form
-
-  polyhertz = 1.2728- 4.2783*0.9 + 11.087*0.9*0.9 - 22.348*0.9*0.9*0.9 +
-    27.467*0.9*0.9*0.9*0.9 - 18.022*0.9*0.9*0.9*0.9*0.9 +
-    4.8218*0.9*0.9*0.9*0.9*0.9*0.9;
-
-  gammatsuji = 0.2*sqrt(meff*kn);
-  damp = gammatsuji*vnnr/rsq;
-  ccel = ccel - polyhertz * damp;
-
-  // relative velocities
-
-  vtr1 = vt1 - (dz*wr2-dy*wr3);
-  vtr2 = vt2 - (dx*wr3-dz*wr1);
-  vtr3 = vt3 - (dy*wr1-dx*wr2);
+  wr1 = radius*omega[0];
+  wr2 = radius*omega[1];
+  wr3 = radius*omega[2];
+
+  // relative tangential velocities
+  vtr1 = vt1 - (nz*wr2-ny*wr3);
+  vtr2 = vt2 - (nx*wr3-nz*wr1);
+  vtr3 = vt3 - (ny*wr1-nx*wr2);
   vrel = vtr1*vtr1 + vtr2*vtr2 + vtr3*vtr3;
   vrel = sqrt(vrel);
 
-  // shear history effects
-
-  if (shearupdate) {
-    shear[0] += vtr1*dt;
-    shear[1] += vtr2*dt;
-    shear[2] += vtr3*dt;
+  if (normal_model == JKR) {
+    F_pulloff = 3*M_PI*coh*Reff;
+    Fncrit = fabs(Fne + 2*F_pulloff);
   }
-  shrmag = sqrt(shear[0]*shear[0] + shear[1]*shear[1] + shear[2]*shear[2]);
-
-  // rotate shear displacements
-
-  rsht = shear[0]*dx + shear[1]*dy + shear[2]*dz;
-  rsht = rsht*rsqinv;
-  if (shearupdate) {
-    shear[0] -= rsht*dx;
-    shear[1] -= rsht*dy;
-    shear[2] -= rsht*dz;
+  else if (normal_model == DMT) {
+    F_pulloff = 4*M_PI*coh*Reff;
+    Fncrit = fabs(Fne + 2*F_pulloff);
   }
-
-  // tangential forces = shear + tangential velocity damping
-
-  fs1 = -polyhertz * (kt*shear[0] + meff*gammat*vtr1);
-  fs2 = -polyhertz * (kt*shear[1] + meff*gammat*vtr2);
-  fs3 = -polyhertz * (kt*shear[2] + meff*gammat*vtr3);
-
-  kt=8.0*G_eff*a0*aovera0;
-
-  // shear damping uses Tsuji et al form also
-
-  fs1 = -kt*shear[0] - polyhertz*gammatsuji*vtr1;
-  fs2 = -kt*shear[1] - polyhertz*gammatsuji*vtr2;
-  fs3 = -kt*shear[2] - polyhertz*gammatsuji*vtr3;
-
-  // rescale frictional displacements and forces if needed
-
-  fs = sqrt(fs1*fs1 + fs2*fs2 + fs3*fs3);
-  fn = xmu * fabs(ccel*r + 2.0*Fcrit);
-
-  if (fs > fn) {
-    if (shrmag != 0.0) {
-      shear[0] = (fn/fs) * (shear[0] + polyhertz*gammatsuji*vtr1/kt) -
-      polyhertz*gammatsuji*vtr1/kt;
-      shear[1] = (fn/fs) * (shear[1] + polyhertz*gammatsuji*vtr2/kt) -
-      polyhertz*gammatsuji*vtr2/kt;
-      shear[2] = (fn/fs) * (shear[2] + polyhertz*gammatsuji*vtr3/kt) -
-      polyhertz*gammatsuji*vtr3/kt;
-      fs1 *= fn/fs ;
-      fs2 *= fn/fs;
-      fs3 *= fn/fs;
-    } else fs1 = fs2 = fs3 = 0.0;
+  else{
+    Fncrit = fabs(Fntot);
   }
 
-  // calculate twisting and rolling components of torque
-  // NOTE: this assumes spheres!
-
-  relrot1 = omega[0];
-  relrot2 = omega[1];
-  relrot3 = omega[2];
-
-  // rolling velocity
-  // NOTE: this assumes mondisperse spheres!
-
-  vrl1 = -rad_eff*rinv * (relrot2*dz - relrot3*dy);
-  vrl2 = -rad_eff*rinv * (relrot3*dx - relrot1*dz);
-  vrl3 = -rad_eff*rinv * (relrot1*dy - relrot2*dx);
-  vrlmag = sqrt(vrl1*vrl1+vrl2*vrl2+vrl3*vrl3);
-  if (vrlmag != 0.0) vrlmaginv = 1.0/vrlmag;
-  else vrlmaginv = 0.0;
+  //------------------------------
+  // tangential forces
+  //------------------------------
 
-  // bond history effects
+  k_tangential = tangential_coeffs[0];
+  damp_tangential = tangential_coeffs[1]*damp_normal_prefactor;
 
-  shear[3] += vrl1*dt;
-  shear[4] += vrl2*dt;
-  shear[5] += vrl3*dt;
+  int thist0 = tangential_history_index;
+  int thist1 = thist0 + 1;
+  int thist2 = thist1 + 1;
 
-  // rotate bonded displacements correctly
-
-  double rlt = shear[3]*dx + shear[4]*dy + shear[5]*dz;
-  rlt /= rsq;
-  shear[3] -= rlt*dx;
-  shear[4] -= rlt*dy;
-  shear[5] -= rlt*dz;
-
-  // twisting torque
-
-  magtwist = rinv*(relrot1*dx + relrot2*dy + relrot3*dz);
-  shear[6] += magtwist*dt;
+  if (tangential_history) {
+    if (tangential_model == TANGENTIAL_MINDLIN) {
+      k_tangential *= a;
+    }
+    else if (tangential_model == TANGENTIAL_MINDLIN_RESCALE) {
+      k_tangential *= a;
+      if (a < history[3]) { //On unloading, rescale the shear displacements
+        double factor = a/history[thist2+1];
+        history[thist0] *= factor;
+        history[thist1] *= factor;
+        history[thist2] *= factor;
+      }
+    }
+    shrmag = sqrt(history[thist0]*history[thist0] +
+                  history[thist1]*history[thist1] +
+                  history[thist2]*history[thist2]);
+
+    // rotate and update displacements.
+    // see e.g. eq. 17 of Luding, Gran. Matter 2008, v10,p235
+    if (history_update) {
+      rsht = history[thist0]*nx + history[thist1]*ny + history[thist2]*nz;
+      if (fabs(rsht) < EPSILON) rsht = 0;
+      if (rsht > 0) {
+        // if rhst == shrmag, contacting pair has rotated 90 deg in one step,
+        // in which case you deserve a crash!
+        scalefac = shrmag/(shrmag - rsht);
+        history[thist0] -= rsht*nx;
+        history[thist1] -= rsht*ny;
+        history[thist2] -= rsht*nz;
+        // also rescale to preserve magnitude
+        history[thist0] *= scalefac;
+        history[thist1] *= scalefac;
+        history[thist2] *= scalefac;
+      }
+      // update history
+      history[thist0] += vtr1*dt;
+      history[thist1] += vtr2*dt;
+      history[thist2] += vtr3*dt;
+    }
 
-  ktwist = 0.5*kt*(a0*aovera0)*(a0*aovera0);
-  magtortwist = -ktwist*shear[6] -
-    0.5*polyhertz*gammatsuji*(a0*aovera0)*(a0*aovera0)*magtwist;
+    // tangential forces = history + tangential velocity damping
+    fs1 = -k_tangential*history[thist0] - damp_tangential*vtr1;
+    fs2 = -k_tangential*history[thist1] - damp_tangential*vtr2;
+    fs3 = -k_tangential*history[thist2] - damp_tangential*vtr3;
+
+    // rescale frictional displacements and forces if needed
+    Fscrit = tangential_coeffs[2] * Fncrit;
+    fs = sqrt(fs1*fs1 + fs2*fs2 + fs3*fs3);
+    if (fs > Fscrit) {
+      if (shrmag != 0.0) {
+        history[thist0] = -1.0/k_tangential*(Fscrit*fs1/fs +
+                                             damp_tangential*vtr1);
+        history[thist1] = -1.0/k_tangential*(Fscrit*fs2/fs +
+                                             damp_tangential*vtr2);
+        history[thist2] = -1.0/k_tangential*(Fscrit*fs3/fs +
+                                             damp_tangential*vtr3);
+        fs1 *= Fscrit/fs;
+        fs2 *= Fscrit/fs;
+        fs3 *= Fscrit/fs;
+      } else fs1 = fs2 = fs3 = 0.0;
+    }
+  } else { // classic pair gran/hooke (no history)
+    fs = meff*damp_tangential*vrel;
+    if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel;
+    else Ft = 0.0;
+    fs1 = -Ft*vtr1;
+    fs2 = -Ft*vtr2;
+    fs3 = -Ft*vtr3;
+  }
 
-  twistcrit=TWOTHIRDS*a0*aovera0*Fcrit;
-  if (fabs(magtortwist) > twistcrit)
-    magtortwist = -twistcrit * magtwist/fabs(magtwist);
+  //****************************************
+  // rolling resistance
+  //****************************************
+
+  if (roll_model != ROLL_NONE) {
+    relrot1 = omega[0];
+    relrot2 = omega[1];
+    relrot3 = omega[2];
+
+    // rolling velocity, see eq. 31 of Wang et al, Particuology v 23, p 49 (2015)
+    // This is different from the Marshall papers,
+    // which use the Bagi/Kuhn formulation
+    // for rolling velocity (see Wang et al for why the latter is wrong)
+    vrl1 = Reff*(relrot2*nz - relrot3*ny); //- 0.5*((radj-radi)/radsum)*vtr1;
+    vrl2 = Reff*(relrot3*nx - relrot1*nz); //- 0.5*((radj-radi)/radsum)*vtr2;
+    vrl3 = Reff*(relrot1*ny - relrot2*nx); //- 0.5*((radj-radi)/radsum)*vtr3;
+
+    int rhist0 = roll_history_index;
+    int rhist1 = rhist0 + 1;
+    int rhist2 = rhist1 + 1;
+
+    // rolling displacement
+    rollmag = sqrt(history[rhist0]*history[rhist0] +
+                   history[rhist1]*history[rhist1] +
+                   history[rhist2]*history[rhist2]);
+
+    rolldotn = history[rhist0]*nx + history[rhist1]*ny + history[rhist2]*nz;
+
+    if (history_update) {
+      if (fabs(rolldotn) < EPSILON) rolldotn = 0;
+      if (rolldotn > 0) { // rotate into tangential plane
+        scalefac = rollmag/(rollmag - rolldotn);
+        history[rhist0] -= rolldotn*nx;
+        history[rhist1] -= rolldotn*ny;
+        history[rhist2] -= rolldotn*nz;
+        // also rescale to preserve magnitude
+        history[rhist0] *= scalefac;
+        history[rhist1] *= scalefac;
+        history[rhist2] *= scalefac;
+      }
+      history[rhist0] += vrl1*dt;
+      history[rhist1] += vrl2*dt;
+      history[rhist2] += vrl3*dt;
+    }
 
-  // rolling torque
+    k_roll = roll_coeffs[0];
+    damp_roll = roll_coeffs[1];
+    fr1 = -k_roll*history[rhist0] - damp_roll*vrl1;
+    fr2 = -k_roll*history[rhist1] - damp_roll*vrl2;
+    fr3 = -k_roll*history[rhist2] - damp_roll*vrl3;
+
+    // rescale frictional displacements and forces if needed
+    Frcrit = roll_coeffs[2] * Fncrit;
+
+    fr = sqrt(fr1*fr1 + fr2*fr2 + fr3*fr3);
+    if (fr > Frcrit) {
+      if (rollmag != 0.0) {
+        history[rhist0] = -1.0/k_roll*(Frcrit*fr1/fr + damp_roll*vrl1);
+        history[rhist1] = -1.0/k_roll*(Frcrit*fr2/fr + damp_roll*vrl2);
+        history[rhist2] = -1.0/k_roll*(Frcrit*fr3/fr + damp_roll*vrl3);
+        fr1 *= Frcrit/fr;
+        fr2 *= Frcrit/fr;
+        fr3 *= Frcrit/fr;
+      } else fr1 = fr2 = fr3 = 0.0;
+    }
+  }
 
-  magrollsq = shear[3]*shear[3] + shear[4]*shear[4] + shear[5]*shear[5];
-  magroll = sqrt(magrollsq);
-  if (magroll != 0.0) magrollinv = 1.0/magroll;
-  else magrollinv = 0.0;
+  //****************************************
+  // twisting torque, including history effects
+  //****************************************
 
-  kroll = 1.0*4.0*Fcrit*pow(aovera0,1.5);
-  magtorroll = -kroll*magroll - 0.1*gammat*vrlmag;
+  if (twist_model != TWIST_NONE) {
+    magtwist = relrot1*nx + relrot2*ny + relrot3*nz; //Omega_T (eq 29 of Marshall)
+    if (twist_model == TWIST_MARSHALL) {
+      k_twist = 0.5*k_tangential*a*a;; // eq 32 of Marshall paper
+      damp_twist = 0.5*damp_tangential*a*a;
+      mu_twist = TWOTHIRDS*a*tangential_coeffs[2];
+    }
+    else{
+      k_twist = twist_coeffs[0];
+      damp_twist = twist_coeffs[1];
+      mu_twist = twist_coeffs[2];
+    }
+    if (history_update) {
+      history[twist_history_index] += magtwist*dt;
+    }
+    // M_t torque (eq 30)
+    magtortwist = -k_twist*history[twist_history_index] - damp_twist*magtwist;
+    signtwist = (magtwist > 0) - (magtwist < 0);
+    Mtcrit = mu_twist*Fncrit; // critical torque (eq 44)
+    if (fabs(magtortwist) > Mtcrit) {
+      history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist -
+                                                  damp_twist*magtwist);
+      magtortwist = -Mtcrit * signtwist; // eq 34
+    }
+  }
 
-  rollcrit = 0.01;
-  if (magroll > rollcrit) magtorroll = -kroll*rollcrit;
+  // apply forces & torques
 
-  // forces & torques
+  fx = nx*Fntot + fs1;
+  fy = ny*Fntot + fs2;
+  fz = nz*Fntot + fs3;
 
-  fx = dx*ccel + fs1;
-  fy = dy*ccel + fs2;
-  fz = dz*ccel + fs3;
+  if (peratom_flag) {
+    contact[1] = fx;
+    contact[2] = fy;
+    contact[3] = fz;
+  }
 
   f[0] += fx;
   f[1] += fy;
   f[2] += fz;
 
-  tor1 = rinv * (dy*fs3 - dz*fs2);
-  tor2 = rinv * (dz*fs1 - dx*fs3);
-  tor3 = rinv * (dx*fs2 - dy*fs1);
+  tor1 = ny*fs3 - nz*fs2;
+  tor2 = nz*fs1 - nx*fs3;
+  tor3 = nx*fs2 - ny*fs1;
+
   torque[0] -= radius*tor1;
   torque[1] -= radius*tor2;
   torque[2] -= radius*tor3;
 
-  torque[0] += magtortwist * dx*rinv;
-  torque[1] += magtortwist * dy*rinv;
-  torque[2] += magtortwist * dz*rinv;
+  if (twist_model != TWIST_NONE) {
+    tortwist1 = magtortwist * nx;
+    tortwist2 = magtortwist * ny;
+    tortwist3 = magtortwist * nz;
+
+    torque[0] += tortwist1;
+    torque[1] += tortwist2;
+    torque[2] += tortwist3;
+  }
+
+  if (roll_model != ROLL_NONE) {
+    torroll1 = Reff*(ny*fr3 - nz*fr2); //n cross fr
+    torroll2 = Reff*(nz*fr1 - nx*fr3);
+    torroll3 = Reff*(nx*fr2 - ny*fr1);
 
-  torque[0] += magtorroll * (shear[4]*dz - shear[5]*dy)*rinv*magrollinv;
-  torque[1] += magtorroll * (shear[5]*dx - shear[3]*dz)*rinv*magrollinv;
-  torque[2] += magtorroll * (shear[3]*dy - shear[4]*dx)*rinv*magrollinv;
+    torque[0] += torroll1;
+    torque[1] += torroll2;
+    torque[2] += torroll3;
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1023,8 +1440,10 @@ double FixWallGran::memory_usage()
 {
   int nmax = atom->nmax;
   double bytes = 0.0;
-  if (history) bytes += nmax*sheardim * sizeof(double);   // shear history
-  if (fix_rigid) bytes += nmax * sizeof(int);             // mass_rigid
+  if (use_history) bytes += nmax*size_history * sizeof(double);  // shear history
+  if (fix_rigid) bytes += nmax * sizeof(int);                    // mass_rigid
+  // store contacts
+  if (peratom_flag) bytes += nmax*size_peratom_cols*sizeof(double);
   return bytes;
 }
 
@@ -1034,7 +1453,11 @@ double FixWallGran::memory_usage()
 
 void FixWallGran::grow_arrays(int nmax)
 {
-  if (history) memory->grow(shearone,nmax,sheardim,"fix_wall_gran:shearone");
+  if (use_history) memory->grow(history_one,nmax,size_history,
+                                "fix_wall_gran:history_one");
+  if (peratom_flag) {
+    memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom");
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1043,9 +1466,13 @@ void FixWallGran::grow_arrays(int nmax)
 
 void FixWallGran::copy_arrays(int i, int j, int /*delflag*/)
 {
-  if (history)
-    for (int m = 0; m < sheardim; m++)
-      shearone[j][m] = shearone[i][m];
+  if (use_history)
+    for (int m = 0; m < size_history; m++)
+      history_one[j][m] = history_one[i][m];
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[j][m] = array_atom[i][m];
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1054,9 +1481,13 @@ void FixWallGran::copy_arrays(int i, int j, int /*delflag*/)
 
 void FixWallGran::set_arrays(int i)
 {
-  if (history)
-    for (int m = 0; m < sheardim; m++)
-      shearone[i][m] = 0;
+  if (use_history)
+    for (int m = 0; m < size_history; m++)
+      history_one[i][m] = 0;
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[i][m] = 0;
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1065,11 +1496,15 @@ void FixWallGran::set_arrays(int i)
 
 int FixWallGran::pack_exchange(int i, double *buf)
 {
-  if (!history) return 0;
-
   int n = 0;
-  for (int m = 0; m < sheardim; m++)
-    buf[n++] = shearone[i][m];
+  if (use_history) {
+    for (int m = 0; m < size_history; m++)
+      buf[n++] = history_one[i][m];
+  }
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      buf[n++] = array_atom[i][m];
+  }
   return n;
 }
 
@@ -1079,11 +1514,15 @@ int FixWallGran::pack_exchange(int i, double *buf)
 
 int FixWallGran::unpack_exchange(int nlocal, double *buf)
 {
-  if (!history) return 0;
-
   int n = 0;
-  for (int m = 0; m < sheardim; m++)
-    shearone[nlocal][m] = buf[n++];
+  if (use_history) {
+    for (int m = 0; m < size_history; m++)
+      history_one[nlocal][m] = buf[n++];
+  }
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[nlocal][m] = buf[n++];
+  }
   return n;
 }
 
@@ -1093,12 +1532,12 @@ int FixWallGran::unpack_exchange(int nlocal, double *buf)
 
 int FixWallGran::pack_restart(int i, double *buf)
 {
-  if (!history) return 0;
+  if (!use_history) return 0;
 
   int n = 0;
-  buf[n++] = sheardim + 1;
-  for (int m = 0; m < sheardim; m++)
-    buf[n++] = shearone[i][m];
+  buf[n++] = size_history + 1;
+  for (int m = 0; m < size_history; m++)
+    buf[n++] = history_one[i][m];
   return n;
 }
 
@@ -1108,7 +1547,7 @@ int FixWallGran::pack_restart(int i, double *buf)
 
 void FixWallGran::unpack_restart(int nlocal, int nth)
 {
-  if (!history) return;
+  if (!use_history) return;
 
   double **extra = atom->extra;
 
@@ -1118,8 +1557,8 @@ void FixWallGran::unpack_restart(int nlocal, int nth)
   for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
   m++;
 
-  for (int i = 0; i < sheardim; i++)
-    shearone[nlocal][i] = extra[nlocal][m++];
+  for (int i = 0; i < size_history; i++)
+    history_one[nlocal][i] = extra[nlocal][m++];
 }
 
 /* ----------------------------------------------------------------------
@@ -1128,8 +1567,8 @@ void FixWallGran::unpack_restart(int nlocal, int nth)
 
 int FixWallGran::maxsize_restart()
 {
-  if (!history) return 0;
-  return 1 + sheardim;
+  if (!use_history) return 0;
+  return 1 + size_history;
 }
 
 /* ----------------------------------------------------------------------
@@ -1138,8 +1577,8 @@ int FixWallGran::maxsize_restart()
 
 int FixWallGran::size_restart(int /*nlocal*/)
 {
-  if (!history) return 0;
-  return 1 + sheardim;
+  if (!use_history) return 0;
+  return 1 + size_history;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1148,3 +1587,14 @@ void FixWallGran::reset_dt()
 {
   dt = update->dt;
 }
+
+double FixWallGran::pulloff_distance(double radius)
+{
+  double coh, E, a, dist;
+  coh = normal_coeffs[3];
+  E = normal_coeffs[0]*THREEQUARTERS;
+  a = cbrt(9*M_PI*coh*radius/(4*E));
+  dist = a*a/radius - 2*sqrt(M_PI*coh*a/E);
+  return dist;
+}
+
diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h
index 2403a31907016b5b341dfb92d5d355d53aea2b0f..f147e29433e4786943b8f6464d9c1ebfea1213dc 100644
--- a/src/GRANULAR/fix_wall_gran.h
+++ b/src/GRANULAR/fix_wall_gran.h
@@ -46,42 +46,70 @@ class FixWallGran : public Fix {
   virtual int maxsize_restart();
   void reset_dt();
 
-  void hooke(double, double, double, double, double *,
-             double *, double *, double *, double *, double, double);
+  void hooke(double, double, double, double, double *, double *,
+             double *, double *, double *, double, double, double*);
   void hooke_history(double, double, double, double, double *,
-                     double *, double *, double *, double *, double, double,
-                     double *);
-  void hertz_history(double, double, double, double, double *, double,
-                     double *, double *, double *, double *, double, double,
-                     double *);
-  void bonded_history(double, double, double, double, double *, double,
-                       double *, double *, double *, double *, double, double,
-                       double *);
+                     double *, double *, double *, double *, double,
+                     double, double *, double *);
+  void hertz_history(double, double, double, double, double *,
+                     double, double *, double *, double *, double *,
+                     double, double, double *, double *);
+  void granular(double, double, double, double, double *, double,
+                double *, double *, double *, double *, double,
+                double, double *, double *);
+
+  double pulloff_distance(double);
 
  protected:
   int wallstyle,wiggle,wshear,axis;
   int pairstyle,nlevels_respa;
   bigint time_origin;
   double kn,kt,gamman,gammat,xmu;
-  double E,G,SurfEnergy;
+
+  // for granular model choices
+  int normal_model, damping_model;
+  int tangential_model, roll_model, twist_model;
+
+  // history flags
+  int normal_history, tangential_history, roll_history, twist_history;
+
+  // indices of history entries
+  int normal_history_index;
+  int tangential_history_index;
+  int roll_history_index;
+  int twist_history_index;
+
+  // material coefficients
+  double Emod, poiss, Gmod;
+
+  // contact model coefficients
+  double normal_coeffs[4];
+  double tangential_coeffs[3];
+  double roll_coeffs[3];
+  double twist_coeffs[3];
+
   double lo,hi,cylradius;
   double amplitude,period,omega,vshear;
   double dt;
   char *idregion;
 
-  int history;       // if particle/wall interaction stores history
-  int shearupdate;   // flag for whether shear history is updated
-  int sheardim;      // # of shear history values per contact
+  int use_history;       // if particle/wall interaction stores history
+  int history_update;    // flag for whether shear history is updated
+  int size_history;      // # of shear history values per contact
 
   // shear history for single contact per particle
 
-  double **shearone;
+  double **history_one;
 
   // rigid body masses for use in granular interactions
 
   class Fix *fix_rigid;    // ptr to rigid body fix, NULL if none
   double *mass_rigid;      // rigid mass for owned+ghost atoms
   int nmax;                // allocated size of mass_rigid
+
+  // store particle interactions
+
+  int store;
 };
 
 }
diff --git a/src/GRANULAR/fix_wall_gran_region.cpp b/src/GRANULAR/fix_wall_gran_region.cpp
index 8633587ad5545174cc705926256ba7e0cf10441d..72798bf7b782f972b7329b7dad5f1c1a1e2e08bc 100644
--- a/src/GRANULAR/fix_wall_gran_region.cpp
+++ b/src/GRANULAR/fix_wall_gran_region.cpp
@@ -39,15 +39,17 @@ using namespace MathConst;
 
 // same as FixWallGran
 
-enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,BONDED_HISTORY};
+enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,GRANULAR};
+enum {NORMAL_HOOKE, NORMAL_HERTZ, HERTZ_MATERIAL, DMT, JKR};
 
 #define BIG 1.0e20
 
 /* ---------------------------------------------------------------------- */
 
 FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
-  FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL), ncontact(NULL),
-  walls(NULL), shearmany(NULL), c2r(NULL)
+  FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL),
+  ncontact(NULL),
+  walls(NULL), history_many(NULL), c2r(NULL)
 {
   restart_global = 1;
   motion_resetflag = 0;
@@ -66,17 +68,17 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
   // re-allocate atom-based arrays with nshear
   // do not register with Atom class, since parent class did that
 
-  memory->destroy(shearone);
-  shearone = NULL;
+  memory->destroy(history_one);
+  history_one = NULL;
 
   ncontact = NULL;
   walls = NULL;
-  shearmany = NULL;
+  history_many = NULL;
   grow_arrays(atom->nmax);
 
   // initialize shear history as if particle is not touching region
 
-  if (history) {
+  if (use_history) {
     int nlocal = atom->nlocal;
     for (int i = 0; i < nlocal; i++)
       ncontact[i] = 0;
@@ -92,7 +94,7 @@ FixWallGranRegion::~FixWallGranRegion()
 
   memory->destroy(ncontact);
   memory->destroy(walls);
-  memory->destroy(shearmany);
+  memory->destroy(history_many);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -119,7 +121,7 @@ void FixWallGranRegion::init()
     region->reset_vel();
   }
 
-  if (motion_resetflag){
+  if (motion_resetflag) {
     char str[256];
     snprintf(str,256,"Region properties for region %s are inconsistent "
              "with restart file, resetting its motion",idregion);
@@ -138,8 +140,8 @@ void FixWallGranRegion::post_force(int /*vflag*/)
 
   // do not update shear history during setup
 
-  shearupdate = 1;
-  if (update->setupflag) shearupdate = 0;
+  history_update = 1;
+  if (update->setupflag) history_update = 0;
 
   // if just reneighbored:
   // update rigid body masses for owned atoms if using FixRigid
@@ -188,7 +190,13 @@ void FixWallGranRegion::post_force(int /*vflag*/)
     if (mask[i] & groupbit) {
       if (!region->match(x[i][0],x[i][1],x[i][2])) continue;
 
-      nc = region->surface(x[i][0],x[i][1],x[i][2],radius[i]);
+      if (pairstyle == GRANULAR && normal_model == JKR) {
+        nc = region->surface(x[i][0],x[i][1],x[i][2],
+                             radius[i]+pulloff_distance(radius[i]));
+      }
+      else{
+        nc = region->surface(x[i][0],x[i][1],x[i][2],radius[i]);
+      }
       if (nc > tmax)
         error->one(FLERR,"Too many wall/gran/region contacts for one particle");
 
@@ -198,7 +206,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
       // also set c2r[] = indices into region->contact[] for each of N contacts
       // process zero or one contact here, otherwise invoke update_contacts()
 
-      if (history) {
+      if (use_history) {
         if (nc == 0) {
           ncontact[i] = 0;
           continue;
@@ -209,15 +217,14 @@ void FixWallGranRegion::post_force(int /*vflag*/)
           if (ncontact[i] == 0) {
             ncontact[i] = 1;
             walls[i][0] = iwall;
-            for (m = 0; m < sheardim; m++)
-              shearmany[i][0][m] = 0.0;
+            for (m = 0; m < size_history; m++)
+              history_many[i][0][m] = 0.0;
           } else if (ncontact[i] > 1 || iwall != walls[i][0])
             update_contacts(i,nc);
         } else update_contacts(i,nc);
       }
 
       // process current contacts
-
       for (int ic = 0; ic < nc; ic++) {
 
         // rsq = squared contact distance
@@ -225,36 +232,57 @@ void FixWallGranRegion::post_force(int /*vflag*/)
 
         rsq = region->contact[ic].r*region->contact[ic].r;
 
+        if (pairstyle == GRANULAR && normal_model == JKR) {
+          if (history_many[i][c2r[ic]][0] == 0.0 && rsq > radius[i]*radius[i]) {
+            for (m = 0; m < size_history; m++)
+              history_many[i][0][m] = 0.0;
+            continue;
+          }
+        }
+
         dx = region->contact[ic].delx;
         dy = region->contact[ic].dely;
         dz = region->contact[ic].delz;
 
         if (regiondynamic) region->velocity_contact(vwall, x[i], ic);
 
-
         // meff = effective mass of sphere
         // if I is part of rigid body, use body mass
 
         meff = rmass[i];
         if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
 
+        // store contact info
+        if (peratom_flag) {
+          array_atom[i][0] = (double)atom->tag[i];
+          array_atom[i][4] = x[i][0] - dx;
+          array_atom[i][5] = x[i][1] - dy;
+          array_atom[i][6] = x[i][2] - dz;
+          array_atom[i][7] = radius[i];
+        }
+
         // invoke sphere/wall interaction
+        double *contact;
+        if (peratom_flag)
+          contact = array_atom[i];
+        else
+          contact = NULL;
 
         if (pairstyle == HOOKE)
           hooke(rsq,dx,dy,dz,vwall,v[i],f[i],
-                omega[i],torque[i],radius[i],meff);
+              omega[i],torque[i],radius[i],meff, contact);
         else if (pairstyle == HOOKE_HISTORY)
           hooke_history(rsq,dx,dy,dz,vwall,v[i],f[i],
-                        omega[i],torque[i],radius[i],meff,
-                        shearmany[i][c2r[ic]]);
+              omega[i],torque[i],radius[i],meff,
+              history_many[i][c2r[ic]], contact);
         else if (pairstyle == HERTZ_HISTORY)
           hertz_history(rsq,dx,dy,dz,vwall,region->contact[ic].radius,
-                        v[i],f[i],omega[i],torque[i],
-                        radius[i],meff,shearmany[i][c2r[ic]]);
-        else if (pairstyle == BONDED_HISTORY)
-          bonded_history(rsq,dx,dy,dz,vwall,region->contact[ic].radius,
-                         v[i],f[i],omega[i],torque[i],
-                         radius[i],meff,shearmany[i][c2r[ic]]);
+              v[i],f[i],omega[i],torque[i],
+              radius[i],meff,history_many[i][c2r[ic]], contact);
+        else if (pairstyle == GRANULAR)
+          granular(rsq,dx,dy,dz,vwall,region->contact[ic].radius,
+                   v[i],f[i],omega[i],torque[i],
+                   radius[i],meff,history_many[i][c2r[ic]],contact);
       }
     }
   }
@@ -282,8 +310,8 @@ void FixWallGranRegion::update_contacts(int i, int nc)
       if (region->contact[m].iwall == walls[i][iold]) break;
     if (m >= nc) {
       ilast = ncontact[i]-1;
-      for (j = 0; j < sheardim; j++)
-        shearmany[i][iold][j] = shearmany[i][ilast][j];
+      for (j = 0; j < size_history; j++)
+        history_many[i][iold][j] = history_many[i][ilast][j];
       walls[i][iold] = walls[i][ilast];
       ncontact[i]--;
     } else iold++;
@@ -305,8 +333,8 @@ void FixWallGranRegion::update_contacts(int i, int nc)
       iadd = ncontact[i];
 
       c2r[iadd] = inew;
-      for (j = 0; j < sheardim; j++)
-        shearmany[i][iadd][j] = 0.0;
+      for (j = 0; j < size_history; j++)
+        history_many[i][iadd][j] = 0.0;
       walls[i][iadd] = iwall;
       ncontact[i]++;
     }
@@ -321,10 +349,10 @@ double FixWallGranRegion::memory_usage()
 {
   int nmax = atom->nmax;
   double bytes = 0.0;
-  if (history) {                                   // shear history
+  if (use_history) {                                   // shear history
     bytes += nmax * sizeof(int);                   // ncontact
     bytes += nmax*tmax * sizeof(int);              // walls
-    bytes += nmax*tmax*sheardim * sizeof(double);  // shearmany
+    bytes += nmax*tmax*size_history * sizeof(double);  // history_many
   }
   if (fix_rigid) bytes += nmax * sizeof(int);      // mass_rigid
   return bytes;
@@ -336,11 +364,14 @@ double FixWallGranRegion::memory_usage()
 
 void FixWallGranRegion::grow_arrays(int nmax)
 {
-  if (history) {
+  if (use_history) {
     memory->grow(ncontact,nmax,"fix_wall_gran:ncontact");
     memory->grow(walls,nmax,tmax,"fix_wall_gran:walls");
-    memory->grow(shearmany,nmax,tmax,sheardim,"fix_wall_gran:shearmany");
+    memory->grow(history_many,nmax,tmax,size_history,
+                 "fix_wall_gran:history_many");
   }
+  if (peratom_flag)
+    memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom");
 }
 
 /* ----------------------------------------------------------------------
@@ -351,16 +382,20 @@ void FixWallGranRegion::copy_arrays(int i, int j, int /*delflag*/)
 {
   int m,n,iwall;
 
-  if (!history) return;
-
-  n = ncontact[i];
+  if (use_history) {
+    n = ncontact[i];
+    for (iwall = 0; iwall < n; iwall++) {
+      walls[j][iwall] = walls[i][iwall];
+      for (m = 0; m < size_history; m++)
+        history_many[j][iwall][m] = history_many[i][iwall][m];
+    }
+    ncontact[j] = ncontact[i];
+  }
 
-  for (iwall = 0; iwall < n; iwall++) {
-    walls[j][iwall] = walls[i][iwall];
-    for (m = 0; m < sheardim; m++)
-      shearmany[j][iwall][m] = shearmany[i][iwall][m];
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[j][m] = array_atom[i][m];
   }
-  ncontact[j] = ncontact[i];
 }
 
 /* ----------------------------------------------------------------------
@@ -369,8 +404,12 @@ void FixWallGranRegion::copy_arrays(int i, int j, int /*delflag*/)
 
 void FixWallGranRegion::set_arrays(int i)
 {
-  if (!history) return;
-  ncontact[i] = 0;
+  if (use_history)
+    ncontact[i] = 0;
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[i][m] = 0;
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -381,16 +420,19 @@ int FixWallGranRegion::pack_exchange(int i, double *buf)
 {
   int m;
 
-  if (!history) return 0;
-
   int n = 0;
-  int count = ncontact[i];
-
-  buf[n++] = ubuf(count).d;
-  for (int iwall = 0; iwall < count; iwall++) {
-    buf[n++] = ubuf(walls[i][iwall]).d;
-    for (m = 0; m < sheardim; m++)
-      buf[n++] = shearmany[i][iwall][m];
+  if (use_history) {
+    int count = ncontact[i];
+    buf[n++] = ubuf(count).d;
+    for (int iwall = 0; iwall < count; iwall++) {
+      buf[n++] = ubuf(walls[i][iwall]).d;
+      for (m = 0; m < size_history; m++)
+        buf[n++] = history_many[i][iwall][m];
+    }
+  }
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      buf[n++] = array_atom[i][m];
   }
 
   return n;
@@ -404,15 +446,19 @@ int FixWallGranRegion::unpack_exchange(int nlocal, double *buf)
 {
   int m;
 
-  if (!history) return 0;
 
   int n = 0;
-  int count = ncontact[nlocal] = (int) ubuf(buf[n++]).i;
-
-  for (int iwall = 0; iwall < count; iwall++) {
-    walls[nlocal][iwall] = (int) ubuf(buf[n++]).i;
-    for (m = 0; m < sheardim; m++)
-      shearmany[nlocal][iwall][m] = buf[n++];
+  if (use_history) {
+    int count = ncontact[nlocal] = (int) ubuf(buf[n++]).i;
+    for (int iwall = 0; iwall < count; iwall++) {
+      walls[nlocal][iwall] = (int) ubuf(buf[n++]).i;
+      for (m = 0; m < size_history; m++)
+        history_many[nlocal][iwall][m] = buf[n++];
+    }
+  }
+  if (peratom_flag) {
+    for (int m = 0; m < size_peratom_cols; m++)
+      array_atom[nlocal][m] = buf[n++];
   }
 
   return n;
@@ -426,7 +472,7 @@ int FixWallGranRegion::pack_restart(int i, double *buf)
 {
   int m;
 
-  if (!history) return 0;
+  if (!use_history) return 0;
 
   int n = 1;
   int count = ncontact[i];
@@ -434,8 +480,8 @@ int FixWallGranRegion::pack_restart(int i, double *buf)
   buf[n++] = ubuf(count).d;
   for (int iwall = 0; iwall < count; iwall++) {
     buf[n++] = ubuf(walls[i][iwall]).d;
-    for (m = 0; m < sheardim; m++)
-      buf[n++] = shearmany[i][iwall][m];
+    for (m = 0; m < size_history; m++)
+      buf[n++] = history_many[i][iwall][m];
   }
   buf[0] = n;
   return n;
@@ -449,7 +495,7 @@ void FixWallGranRegion::unpack_restart(int nlocal, int nth)
 {
   int k;
 
-  if (!history) return;
+  if (!use_history) return;
 
   double **extra = atom->extra;
 
@@ -462,8 +508,8 @@ void FixWallGranRegion::unpack_restart(int nlocal, int nth)
   int count = ncontact[nlocal] = (int) ubuf(extra[nlocal][m++]).i;
   for (int iwall = 0; iwall < count; iwall++) {
     walls[nlocal][iwall] = (int) ubuf(extra[nlocal][m++]).i;
-    for (k = 0; k < sheardim; k++)
-      shearmany[nlocal][iwall][k] = extra[nlocal][m++];
+    for (k = 0; k < size_history; k++)
+      history_many[nlocal][iwall][k] = extra[nlocal][m++];
   }
 }
 
@@ -473,8 +519,8 @@ void FixWallGranRegion::unpack_restart(int nlocal, int nth)
 
 int FixWallGranRegion::maxsize_restart()
 {
-  if (!history) return 0;
-  return 2 + tmax*(sheardim+1);
+  if (!use_history) return 0;
+  return 2 + tmax*(size_history+1);
 }
 
 /* ----------------------------------------------------------------------
@@ -483,8 +529,8 @@ int FixWallGranRegion::maxsize_restart()
 
 int FixWallGranRegion::size_restart(int nlocal)
 {
-  if (!history) return 0;
-  return 2 + ncontact[nlocal]*(sheardim+1);
+  if (!use_history) return 0;
+  return 2 + ncontact[nlocal]*(size_history+1);
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/GRANULAR/fix_wall_gran_region.h b/src/GRANULAR/fix_wall_gran_region.h
index 8d1b6d533acacc442117ed062a93e38a01777e74..fd40e27e4c09efa9994cdf5ebdbafe16ae284ae5 100644
--- a/src/GRANULAR/fix_wall_gran_region.h
+++ b/src/GRANULAR/fix_wall_gran_region.h
@@ -54,7 +54,7 @@ class FixWallGranRegion : public FixWallGran {
   int tmax;              // max # of region walls one particle can touch
   int *ncontact;         // # of shear contacts per particle
   int **walls;           // which wall each contact is with
-  double ***shearmany;   // shear history per particle per contact
+  double ***history_many;   // history per particle per contact
   int *c2r;              // contact to region mapping
                          // c2r[i] = index of Ith contact in
                          //   region-contact[] list of contacts
diff --git a/src/GRANULAR/pair_gran_hertz_history.cpp b/src/GRANULAR/pair_gran_hertz_history.cpp
index d1f3c7bbe1eb02e0a23a00071ca4728292f62ef0..728491c17aac88cfd47dd3f9ac2d70c78098b49c 100644
--- a/src/GRANULAR/pair_gran_hertz_history.cpp
+++ b/src/GRANULAR/pair_gran_hertz_history.cpp
@@ -55,8 +55,7 @@ void PairGranHertzHistory::compute(int eflag, int vflag)
   int *touch,**firsttouch;
   double *shear,*allshear,**firstshear;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int shearupdate = 1;
   if (update->setupflag) shearupdate = 0;
diff --git a/src/GRANULAR/pair_gran_hooke.cpp b/src/GRANULAR/pair_gran_hooke.cpp
index 5244396ead10434b1d5b39fb9cfc29d4ca4a7210..cfcc2743ba60a5ef76a5939e6e98ee9a54b13f79 100644
--- a/src/GRANULAR/pair_gran_hooke.cpp
+++ b/src/GRANULAR/pair_gran_hooke.cpp
@@ -51,8 +51,7 @@ void PairGranHooke::compute(int eflag, int vflag)
   double fn,fs,ft,fs1,fs2,fs3;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // update rigid body info for owned & ghost atoms if using FixRigid masses
   // body[i] = which body atom I is in, -1 if none
diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp
index 83f75c221dc0c9497407884a47594d5a3866b107..5a78b9d79a0e48d55a48642c6fa1f17d1d7c3037 100644
--- a/src/GRANULAR/pair_gran_hooke_history.cpp
+++ b/src/GRANULAR/pair_gran_hooke_history.cpp
@@ -44,6 +44,7 @@ PairGranHookeHistory::PairGranHookeHistory(LAMMPS *lmp) : Pair(lmp)
   single_enable = 1;
   no_virial_fdotr_compute = 1;
   history = 1;
+  size_history = 3;
   fix_history = NULL;
 
   single_extra = 10;
@@ -57,6 +58,10 @@ PairGranHookeHistory::PairGranHookeHistory(LAMMPS *lmp) : Pair(lmp)
   // set comm size needed by this Pair if used with fix rigid
 
   comm_forward = 1;
+
+  // keep default behavior of history[i][j] = -history[j][i]
+
+  nondefault_history_transfer = 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -98,8 +103,7 @@ void PairGranHookeHistory::compute(int eflag, int vflag)
   int *touch,**firsttouch;
   double *shear,*allshear,**firstshear;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   int shearupdate = 1;
   if (update->setupflag) shearupdate = 0;
@@ -414,7 +418,7 @@ void PairGranHookeHistory::init_style()
 
   if (history && fix_history == NULL) {
     char dnumstr[16];
-    sprintf(dnumstr,"%d",3);
+    sprintf(dnumstr,"%d",size_history);
     char **fixarg = new char*[4];
     fixarg[0] = (char *) "NEIGH_HISTORY";
     fixarg[1] = (char *) "all";
diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h
index 3ca5c7311649de6e43190c0e6fa88b48e02a3ce0..81f2d8fd4a72c11014dfb86e48251f936d1e5581 100644
--- a/src/GRANULAR/pair_gran_hooke_history.h
+++ b/src/GRANULAR/pair_gran_hooke_history.h
@@ -54,6 +54,8 @@ class PairGranHookeHistory : public Pair {
   double *onerad_dynamic,*onerad_frozen;
   double *maxrad_dynamic,*maxrad_frozen;
 
+  int size_history;
+
   class FixNeighHistory *fix_history;
 
   // storage of rigid body masses for use in granular interactions
diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..77b198178622d77ba381ebb7d7ebf07a85251771
--- /dev/null
+++ b/src/GRANULAR/pair_granular.cpp
@@ -0,0 +1,1746 @@
+/* ----------------------------------------------------------------------
+http://lammps.sandia.gov, Sandia National Laboratories
+Steve Plimpton, sjplimp@sandia.gov
+
+Copyright (2003) Sandia Corporation.  Under the terms of Contract
+DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+certain rights in this software.  This software is distributed under
+the GNU General Public License.
+
+See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors:
+   Dan Bolintineanu (SNL), Ishan Srivastava (SNL), Jeremy Lechman(SNL)
+   Leo Silbert (SNL), Gary Grest (SNL)
+----------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdlib>
+#include <cstdio>
+#include <cstring>
+#include "pair_granular.h"
+#include "atom.h"
+#include "atom_vec.h"
+#include "domain.h"
+#include "force.h"
+#include "update.h"
+#include "modify.h"
+#include "fix.h"
+#include "fix_neigh_history.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "memory.h"
+#include "error.h"
+#include "math_const.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace MathSpecial;
+
+#define PI27SQ 266.47931882941264802866    // 27*PI**2
+#define THREEROOT3 5.19615242270663202362  // 3*sqrt(3)
+#define SIXROOT6 14.69693845669906728801   // 6*sqrt(6)
+#define INVROOT6 0.40824829046386307274    // 1/sqrt(6)
+#define FOURTHIRDS 4.0/3.0                 // 4/3
+#define THREEQUARTERS 0.75                 // 3/4
+
+#define EPSILON 1e-10
+
+enum {HOOKE, HERTZ, HERTZ_MATERIAL, DMT, JKR};
+enum {VELOCITY, MASS_VELOCITY, VISCOELASTIC, TSUJI};
+enum {TANGENTIAL_NOHISTORY, TANGENTIAL_HISTORY,
+      TANGENTIAL_MINDLIN, TANGENTIAL_MINDLIN_RESCALE};
+enum {TWIST_NONE, TWIST_SDS, TWIST_MARSHALL};
+enum {ROLL_NONE, ROLL_SDS};
+
+/* ---------------------------------------------------------------------- */
+
+PairGranular::PairGranular(LAMMPS *lmp) : Pair(lmp)
+{
+  single_enable = 1;
+  no_virial_fdotr_compute = 1;
+  fix_history = NULL;
+
+  single_extra = 12;
+  svector = new double[single_extra];
+
+  neighprev = 0;
+
+  nmax = 0;
+  mass_rigid = NULL;
+
+  onerad_dynamic = NULL;
+  onerad_frozen = NULL;
+  maxrad_dynamic = NULL;
+  maxrad_frozen = NULL;
+
+  history_transfer_factors = NULL;
+
+  dt = update->dt;
+
+  // set comm size needed by this Pair if used with fix rigid
+
+  comm_forward = 1;
+
+  use_history = 0;
+  beyond_contact = 0;
+  nondefault_history_transfer = 0;
+  tangential_history_index = 0;
+  roll_history_index = twist_history_index = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairGranular::~PairGranular()
+{
+  delete [] svector;
+  if (fix_history) modify->delete_fix("NEIGH_HISTORY");
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    memory->destroy(cutoff_type);
+
+    memory->destroy(normal_coeffs);
+    memory->destroy(tangential_coeffs);
+    memory->destroy(roll_coeffs);
+    memory->destroy(twist_coeffs);
+
+    memory->destroy(Emod);
+    memory->destroy(poiss);
+
+    memory->destroy(normal_model);
+    memory->destroy(damping_model);
+    memory->destroy(tangential_model);
+    memory->destroy(roll_model);
+    memory->destroy(twist_model);
+
+    delete [] onerad_dynamic;
+    delete [] onerad_frozen;
+    delete [] maxrad_dynamic;
+    delete [] maxrad_frozen;
+  }
+
+  memory->destroy(mass_rigid);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairGranular::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,fx,fy,fz,nx,ny,nz;
+  double radi,radj,radsum,rsq,r,rinv;
+  double Reff, delta, dR, dR2, dist_to_contact;
+
+  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
+  double wr1,wr2,wr3;
+  double vtr1,vtr2,vtr3,vrel;
+
+  double knfac, damp_normal, damp_normal_prefactor;
+  double k_tangential, damp_tangential;
+  double Fne, Ft, Fdamp, Fntot, Fncrit, Fscrit, Frcrit;
+  double fs, fs1, fs2, fs3, tor1, tor2, tor3;
+
+  double mi,mj,meff;
+  double relrot1,relrot2,relrot3,vrl1,vrl2,vrl3;
+
+  // for JKR
+  double R2, coh, F_pulloff, delta_pulloff, dist_pulloff, a, a2, E;
+  double t0, t1, t2, t3, t4, t5, t6;
+  double sqrt1, sqrt2, sqrt3;
+
+  // rolling
+  double k_roll, damp_roll;
+  double torroll1, torroll2, torroll3;
+  double rollmag, rolldotn, scalefac;
+  double fr, fr1, fr2, fr3;
+
+  // twisting
+  double k_twist, damp_twist, mu_twist;
+  double signtwist, magtwist, magtortwist, Mtcrit;
+  double tortwist1, tortwist2, tortwist3;
+
+  double shrmag,rsht;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  int *touch,**firsttouch;
+  double *history,*allhistory,**firsthistory;
+
+  bool touchflag = false;
+  const bool historyupdate = (update->setupflag) ? false : true;
+
+  ev_init(eflag,vflag);
+
+  // update rigid body info for owned & ghost atoms if using FixRigid masses
+  // body[i] = which body atom I is in, -1 if none
+  // mass_body = mass of each rigid body
+
+  if (fix_rigid && neighbor->ago == 0) {
+    int tmp;
+    int *body = (int *) fix_rigid->extract("body",tmp);
+    double *mass_body = (double *) fix_rigid->extract("masstotal",tmp);
+    if (atom->nmax > nmax) {
+      memory->destroy(mass_rigid);
+      nmax = atom->nmax;
+      memory->create(mass_rigid,nmax,"pair:mass_rigid");
+    }
+    int nlocal = atom->nlocal;
+    for (i = 0; i < nlocal; i++)
+      if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]];
+      else mass_rigid[i] = 0.0;
+    comm->forward_comm_pair(this);
+  }
+
+  double **x = atom->x;
+  double **v = atom->v;
+  double **f = atom->f;
+  int *type = atom->type;
+  double **omega = atom->omega;
+  double **torque = atom->torque;
+  double *radius = atom->radius;
+  double *rmass = atom->rmass;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  if (use_history) {
+    firsttouch = fix_history->firstflag;
+    firsthistory = fix_history->firstvalue;
+  }
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    itype = type[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    radi = radius[i];
+    if (use_history) {
+      touch = firsttouch[i];
+      allhistory = firsthistory[i];
+    }
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      jtype = type[j];
+      rsq = delx*delx + dely*dely + delz*delz;
+      radj = radius[j];
+      radsum = radi + radj;
+
+      E = normal_coeffs[itype][jtype][0];
+      Reff = radi*radj/radsum;
+      touchflag = false;
+
+      if (normal_model[itype][jtype] == JKR) {
+        E *= THREEQUARTERS;
+        if (touch[jj]) {
+          R2 = Reff*Reff;
+          coh = normal_coeffs[itype][jtype][3];
+          a = cbrt(9.0*MY_PI*coh*R2/(4*E));
+          delta_pulloff = a*a/Reff - 2*sqrt(MY_PI*coh*a/E);
+          dist_pulloff = radsum-delta_pulloff;
+          touchflag = (rsq < dist_pulloff*dist_pulloff);
+        } else {
+          touchflag = (rsq < radsum*radsum);
+        }
+      } else {
+        touchflag = (rsq < radsum*radsum);
+      }
+
+      if (!touchflag) {
+        // unset non-touching neighbors
+        if (use_history) {
+          touch[jj] = 0;
+          history = &allhistory[size_history*jj];
+          for (int k = 0; k < size_history; k++) history[k] = 0.0;
+        }
+      } else {
+        r = sqrt(rsq);
+        rinv = 1.0/r;
+
+        nx = delx*rinv;
+        ny = dely*rinv;
+        nz = delz*rinv;
+
+        // relative translational velocity
+
+        vr1 = v[i][0] - v[j][0];
+        vr2 = v[i][1] - v[j][1];
+        vr3 = v[i][2] - v[j][2];
+
+        // normal component
+
+        vnnr = vr1*nx + vr2*ny + vr3*nz; //v_R . n
+        vn1 = nx*vnnr;
+        vn2 = ny*vnnr;
+        vn3 = nz*vnnr;
+
+        // meff = effective mass of pair of particles
+        // if I or J part of rigid body, use body mass
+        // if I or J is frozen, meff is other particle
+
+        mi = rmass[i];
+        mj = rmass[j];
+        if (fix_rigid) {
+          if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
+          if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
+        }
+
+        meff = mi*mj / (mi+mj);
+        if (mask[i] & freeze_group_bit) meff = mj;
+        if (mask[j] & freeze_group_bit) meff = mi;
+
+        delta = radsum - r;
+        dR = delta*Reff;
+        if (normal_model[itype][jtype] == JKR) {
+          touch[jj] = 1;
+          R2=Reff*Reff;
+          coh = normal_coeffs[itype][jtype][3];
+          dR2 = dR*dR;
+          t0 = coh*coh*R2*R2*E;
+          t1 = PI27SQ*t0;
+          t2 = 8*dR*dR2*E*E*E;
+          t3 = 4*dR2*E;
+          // in case sqrt(0) < 0 due to precision issues
+          sqrt1 = MAX(0, t0*(t1+2*t2));
+          t4 = cbrt(t1+t2+THREEROOT3*MY_PI*sqrt(sqrt1));
+          t5 = t3/t4 + t4/E;
+          sqrt2 = MAX(0, 2*dR + t5);
+          t6 = sqrt(sqrt2);
+          sqrt3 = MAX(0, 4*dR - t5 + SIXROOT6*coh*MY_PI*R2/(E*t6));
+          a = INVROOT6*(t6 + sqrt(sqrt3));
+          a2 = a*a;
+          knfac = normal_coeffs[itype][jtype][0]*a;
+          Fne = knfac*a2/Reff - MY_2PI*a2*sqrt(4*coh*E/(MY_PI*a));
+        } else {
+          knfac = E; // Hooke
+          Fne = knfac*delta;
+          a = sqrt(dR);
+          if (normal_model[itype][jtype] != HOOKE) {
+            Fne *= a;
+            knfac *= a;
+          }
+          if (normal_model[itype][jtype] == DMT)
+            Fne -= 4*MY_PI*normal_coeffs[itype][jtype][3]*Reff;
+        }
+
+        // NOTE: consider restricting Hooke to only have
+        // 'velocity' as an option for damping?
+
+        if (damping_model[itype][jtype] == VELOCITY) {
+          damp_normal = 1;
+        } else if (damping_model[itype][jtype] == MASS_VELOCITY) {
+          damp_normal = meff;
+        } else if (damping_model[itype][jtype] == VISCOELASTIC) {
+          damp_normal = a*meff;
+        } else if (damping_model[itype][jtype] == TSUJI) {
+          damp_normal = sqrt(meff*knfac);
+        }
+
+        damp_normal_prefactor = normal_coeffs[itype][jtype][1]*damp_normal;
+        Fdamp = -damp_normal_prefactor*vnnr;
+
+        Fntot = Fne + Fdamp;
+
+        //****************************************
+        // tangential force, including history effects
+        //****************************************
+
+        // tangential component
+        vt1 = vr1 - vn1;
+        vt2 = vr2 - vn2;
+        vt3 = vr3 - vn3;
+
+        // relative rotational velocity
+        wr1 = (radi*omega[i][0] + radj*omega[j][0]);
+        wr2 = (radi*omega[i][1] + radj*omega[j][1]);
+        wr3 = (radi*omega[i][2] + radj*omega[j][2]);
+
+        // relative tangential velocities
+        vtr1 = vt1 - (nz*wr2-ny*wr3);
+        vtr2 = vt2 - (nx*wr3-nz*wr1);
+        vtr3 = vt3 - (ny*wr1-nx*wr2);
+        vrel = vtr1*vtr1 + vtr2*vtr2 + vtr3*vtr3;
+        vrel = sqrt(vrel);
+
+        // if any history is needed
+        if (use_history) {
+          touch[jj] = 1;
+          history = &allhistory[size_history*jj];
+        }
+
+        if (normal_model[itype][jtype] == JKR) {
+          F_pulloff = 3*MY_PI*coh*Reff;
+          Fncrit = fabs(Fne + 2*F_pulloff);
+        } else if (normal_model[itype][jtype] == DMT) {
+          F_pulloff = 4*MY_PI*coh*Reff;
+          Fncrit = fabs(Fne + 2*F_pulloff);
+        } else {
+          Fncrit = fabs(Fntot);
+        }
+
+        //------------------------------
+        // tangential forces
+        //------------------------------
+        k_tangential = tangential_coeffs[itype][jtype][0];
+        damp_tangential = tangential_coeffs[itype][jtype][1] *
+          damp_normal_prefactor;
+
+        if (tangential_history) {
+          if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN) {
+            k_tangential *= a;
+          } else if (tangential_model[itype][jtype] ==
+                     TANGENTIAL_MINDLIN_RESCALE) {
+            k_tangential *= a;
+            // on unloading, rescale the shear displacements
+            if (a < history[3]) {
+              double factor = a/history[3];
+              history[0] *= factor;
+              history[1] *= factor;
+              history[2] *= factor;
+            }
+          }
+          // rotate and update displacements.
+          // see e.g. eq. 17 of Luding, Gran. Matter 2008, v10,p235
+          if (historyupdate) {
+            rsht = history[0]*nx + history[1]*ny + history[2]*nz;
+            if (fabs(rsht) < EPSILON) rsht = 0;
+            if (rsht > 0) {
+              shrmag = sqrt(history[0]*history[0] + history[1]*history[1] +
+                                               history[2]*history[2]);
+              // if rsht == shrmag, contacting pair has rotated 90 deg
+              // in one step, in which case you deserve a crash!
+              scalefac = shrmag/(shrmag - rsht);
+              history[0] -= rsht*nx;
+              history[1] -= rsht*ny;
+              history[2] -= rsht*nz;
+              // also rescale to preserve magnitude
+              history[0] *= scalefac;
+              history[1] *= scalefac;
+              history[2] *= scalefac;
+            }
+            // update history
+            history[0] += vtr1*dt;
+            history[1] += vtr2*dt;
+            history[2] += vtr3*dt;
+            if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE)
+              history[3] = a;
+          }
+
+          // tangential forces = history + tangential velocity damping
+          fs1 = -k_tangential*history[0] - damp_tangential*vtr1;
+          fs2 = -k_tangential*history[1] - damp_tangential*vtr2;
+          fs3 = -k_tangential*history[2] - damp_tangential*vtr3;
+
+          // rescale frictional displacements and forces if needed
+          Fscrit = tangential_coeffs[itype][jtype][2] * Fncrit;
+          fs = sqrt(fs1*fs1 + fs2*fs2 + fs3*fs3);
+          if (fs > Fscrit) {
+            shrmag = sqrt(history[0]*history[0] + history[1]*history[1] +
+                                    history[2]*history[2]);
+            if (shrmag != 0.0) {
+              history[0] = -1.0/k_tangential*(Fscrit*fs1/fs +
+                                              damp_tangential*vtr1);
+              history[1] = -1.0/k_tangential*(Fscrit*fs2/fs +
+                                              damp_tangential*vtr2);
+              history[2] = -1.0/k_tangential*(Fscrit*fs3/fs +
+                                              damp_tangential*vtr3);
+              fs1 *= Fscrit/fs;
+              fs2 *= Fscrit/fs;
+              fs3 *= Fscrit/fs;
+            } else fs1 = fs2 = fs3 = 0.0;
+          }
+        } else { // classic pair gran/hooke (no history)
+          fs = meff*damp_tangential*vrel;
+          if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel;
+          else Ft = 0.0;
+          fs1 = -Ft*vtr1;
+          fs2 = -Ft*vtr2;
+          fs3 = -Ft*vtr3;
+        }
+
+	if (roll_model[itype][jtype] != ROLL_NONE ||
+	    twist_model[itype][jtype] != TWIST_NONE){
+          relrot1 = omega[i][0] - omega[j][0];
+          relrot2 = omega[i][1] - omega[j][1];
+          relrot3 = omega[i][2] - omega[j][2];
+	  // rolling velocity,
+          // see eq. 31 of Wang et al, Particuology v 23, p 49 (2015)
+          // this is different from the Marshall papers,
+          // which use the Bagi/Kuhn formulation
+          // for rolling velocity (see Wang et al for why the latter is wrong)
+          // - 0.5*((radj-radi)/radsum)*vtr1;
+          // - 0.5*((radj-radi)/radsum)*vtr2;
+          // - 0.5*((radj-radi)/radsum)*vtr3;
+	}
+        //****************************************
+        // rolling resistance
+        //****************************************
+
+        if (roll_model[itype][jtype] != ROLL_NONE) {
+          vrl1 = Reff*(relrot2*nz - relrot3*ny);
+          vrl2 = Reff*(relrot3*nx - relrot1*nz);
+          vrl3 = Reff*(relrot1*ny - relrot2*nx);
+
+          int rhist0 = roll_history_index;
+          int rhist1 = rhist0 + 1;
+          int rhist2 = rhist1 + 1;
+
+          rolldotn = history[rhist0]*nx + history[rhist1]*ny + history[rhist2]*nz;
+          if (historyupdate) {
+            if (fabs(rolldotn) < EPSILON) rolldotn = 0;
+            if (rolldotn > 0) { // rotate into tangential plane
+              rollmag = sqrt(history[rhist0]*history[rhist0] +
+                            history[rhist1]*history[rhist1] +
+                            history[rhist2]*history[rhist2]);
+              scalefac = rollmag/(rollmag - rolldotn);
+              history[rhist0] -= rolldotn*nx;
+              history[rhist1] -= rolldotn*ny;
+              history[rhist2] -= rolldotn*nz;
+              // also rescale to preserve magnitude
+              history[rhist0] *= scalefac;
+              history[rhist1] *= scalefac;
+              history[rhist2] *= scalefac;
+            }
+            history[rhist0] += vrl1*dt;
+            history[rhist1] += vrl2*dt;
+            history[rhist2] += vrl3*dt;
+          }
+
+          k_roll = roll_coeffs[itype][jtype][0];
+          damp_roll = roll_coeffs[itype][jtype][1];
+          fr1 = -k_roll*history[rhist0] - damp_roll*vrl1;
+          fr2 = -k_roll*history[rhist1] - damp_roll*vrl2;
+          fr3 = -k_roll*history[rhist2] - damp_roll*vrl3;
+
+          // rescale frictional displacements and forces if needed
+          Frcrit = roll_coeffs[itype][jtype][2] * Fncrit;
+
+          fr = sqrt(fr1*fr1 + fr2*fr2 + fr3*fr3);
+          if (fr > Frcrit) {
+            rollmag = sqrt(history[rhist0]*history[rhist0] +
+                                    history[rhist1]*history[rhist1] +
+                                    history[rhist2]*history[rhist2]);
+            if (rollmag != 0.0) {
+              history[rhist0] = -1.0/k_roll*(Frcrit*fr1/fr + damp_roll*vrl1);
+              history[rhist1] = -1.0/k_roll*(Frcrit*fr2/fr + damp_roll*vrl2);
+              history[rhist2] = -1.0/k_roll*(Frcrit*fr3/fr + damp_roll*vrl3);
+              fr1 *= Frcrit/fr;
+              fr2 *= Frcrit/fr;
+              fr3 *= Frcrit/fr;
+            } else fr1 = fr2 = fr3 = 0.0;
+          }
+        }
+
+        //****************************************
+        // twisting torque, including history effects
+        //****************************************
+
+        if (twist_model[itype][jtype] != TWIST_NONE) {
+          // omega_T (eq 29 of Marshall)
+          magtwist = relrot1*nx + relrot2*ny + relrot3*nz;
+          if (twist_model[itype][jtype] == TWIST_MARSHALL) {
+            k_twist = 0.5*k_tangential*a*a;; // eq 32 of Marshall paper
+            damp_twist = 0.5*damp_tangential*a*a;
+            mu_twist = TWOTHIRDS*a*tangential_coeffs[itype][jtype][2];
+          } else {
+            k_twist = twist_coeffs[itype][jtype][0];
+            damp_twist = twist_coeffs[itype][jtype][1];
+            mu_twist = twist_coeffs[itype][jtype][2];
+          }
+          if (historyupdate) {
+            history[twist_history_index] += magtwist*dt;
+          }
+          magtortwist = -k_twist*history[twist_history_index] -
+            damp_twist*magtwist; // M_t torque (eq 30)
+          signtwist = (magtwist > 0) - (magtwist < 0);
+          Mtcrit = mu_twist*Fncrit; // critical torque (eq 44)
+          if (fabs(magtortwist) > Mtcrit) {
+            history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist -
+                                                        damp_twist*magtwist);
+            magtortwist = -Mtcrit * signtwist; // eq 34
+          }
+        }
+
+        // apply forces & torques
+
+        fx = nx*Fntot + fs1;
+        fy = ny*Fntot + fs2;
+        fz = nz*Fntot + fs3;
+
+        f[i][0] += fx;
+        f[i][1] += fy;
+        f[i][2] += fz;
+
+        tor1 = ny*fs3 - nz*fs2;
+        tor2 = nz*fs1 - nx*fs3;
+        tor3 = nx*fs2 - ny*fs1;
+
+        dist_to_contact = radi-0.5*delta;
+        torque[i][0] -= dist_to_contact*tor1;
+        torque[i][1] -= dist_to_contact*tor2;
+        torque[i][2] -= dist_to_contact*tor3;
+
+        if (twist_model[itype][jtype] != TWIST_NONE) {
+          tortwist1 = magtortwist * nx;
+          tortwist2 = magtortwist * ny;
+          tortwist3 = magtortwist * nz;
+
+          torque[i][0] += tortwist1;
+          torque[i][1] += tortwist2;
+          torque[i][2] += tortwist3;
+        }
+
+        if (roll_model[itype][jtype] != ROLL_NONE) {
+          torroll1 = Reff*(ny*fr3 - nz*fr2); // n cross fr
+          torroll2 = Reff*(nz*fr1 - nx*fr3);
+          torroll3 = Reff*(nx*fr2 - ny*fr1);
+
+          torque[i][0] += torroll1;
+          torque[i][1] += torroll2;
+          torque[i][2] += torroll3;
+        }
+
+        if (force->newton_pair || j < nlocal) {
+          f[j][0] -= fx;
+          f[j][1] -= fy;
+          f[j][2] -= fz;
+
+          dist_to_contact = radj-0.5*delta;
+          torque[j][0] -= dist_to_contact*tor1;
+          torque[j][1] -= dist_to_contact*tor2;
+          torque[j][2] -= dist_to_contact*tor3;
+
+          if (twist_model[itype][jtype] != TWIST_NONE) {
+            torque[j][0] -= tortwist1;
+            torque[j][1] -= tortwist2;
+            torque[j][2] -= tortwist3;
+          }
+          if (roll_model[itype][jtype] != ROLL_NONE) {
+            torque[j][0] -= torroll1;
+            torque[j][1] -= torroll2;
+            torque[j][2] -= torroll3;
+          }
+        }
+        if (evflag) ev_tally_xyz(i,j,nlocal,0,
+            0.0,0.0,fx,fy,fz,delx,dely,delz);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairGranular::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+  memory->create(cutoff_type,n+1,n+1,"pair:cutoff_type");
+  memory->create(normal_coeffs,n+1,n+1,4,"pair:normal_coeffs");
+  memory->create(tangential_coeffs,n+1,n+1,3,"pair:tangential_coeffs");
+  memory->create(roll_coeffs,n+1,n+1,3,"pair:roll_coeffs");
+  memory->create(twist_coeffs,n+1,n+1,3,"pair:twist_coeffs");
+
+  memory->create(Emod,n+1,n+1,"pair:Emod");
+  memory->create(poiss,n+1,n+1,"pair:poiss");
+
+  memory->create(normal_model,n+1,n+1,"pair:normal_model");
+  memory->create(damping_model,n+1,n+1,"pair:damping_model");
+  memory->create(tangential_model,n+1,n+1,"pair:tangential_model");
+  memory->create(roll_model,n+1,n+1,"pair:roll_model");
+  memory->create(twist_model,n+1,n+1,"pair:twist_model");
+
+  onerad_dynamic = new double[n+1];
+  onerad_frozen = new double[n+1];
+  maxrad_dynamic = new double[n+1];
+  maxrad_frozen = new double[n+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairGranular::settings(int narg, char **arg)
+{
+  if (narg == 1) {
+    cutoff_global = force->numeric(FLERR,arg[0]);
+  } else {
+    cutoff_global = -1; // will be set based on particle sizes, model choice
+  }
+
+  normal_history = tangential_history = 0;
+  roll_history = twist_history = 0;
+}
+
+/* ----------------------------------------------------------------------
+  set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairGranular::coeff(int narg, char **arg)
+{
+  int normal_model_one, damping_model_one;
+  int tangential_model_one, roll_model_one, twist_model_one;
+
+  double normal_coeffs_one[4];
+  double tangential_coeffs_one[4];
+  double roll_coeffs_one[4];
+  double twist_coeffs_one[4];
+
+  double cutoff_one = -1;
+
+  if (narg < 2)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  //Defaults
+  normal_model_one = tangential_model_one = -1;
+  roll_model_one = twist_model_one = 0;
+  damping_model_one = VISCOELASTIC;
+
+  int iarg = 2;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg], "hooke") == 0) {
+      if (iarg + 2 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, "
+                   "not enough parameters provided for Hooke option");
+      normal_model_one = HOOKE;
+      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); // kn
+      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); // damping
+      iarg += 3;
+    } else if (strcmp(arg[iarg], "hertz") == 0) {
+      if (iarg + 2 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, "
+                   "not enough parameters provided for Hertz option");
+      normal_model_one = HERTZ;
+      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); // kn
+      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); // damping
+      iarg += 3;
+    } else if (strcmp(arg[iarg], "hertz/material") == 0) {
+      if (iarg + 3 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, "
+                   "not enough parameters provided for Hertz/material option");
+      normal_model_one = HERTZ_MATERIAL;
+      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); // E
+      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); // damping
+      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); // Poisson's ratio
+      iarg += 4;
+    } else if (strcmp(arg[iarg], "dmt") == 0) {
+      if (iarg + 4 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, "
+                   "not enough parameters provided for Hertz option");
+      normal_model_one = DMT;
+      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); // E
+      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); // damping
+      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); // Poisson's ratio
+      normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); // cohesion
+      iarg += 5;
+    } else if (strcmp(arg[iarg], "jkr") == 0) {
+      if (iarg + 4 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, "
+                   "not enough parameters provided for JKR option");
+      beyond_contact = 1;
+      normal_model_one = JKR;
+      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); // E
+      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); // damping
+      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); // Poisson's ratio
+      normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); // cohesion
+      iarg += 5;
+    } else if (strcmp(arg[iarg], "damping") == 0) {
+      if (iarg+1 >= narg)
+        error->all(FLERR, "Illegal pair_coeff command, "
+                   "not enough parameters provided for damping model");
+      if (strcmp(arg[iarg+1], "velocity") == 0) {
+        damping_model_one = VELOCITY;
+        iarg += 1;
+      } else if (strcmp(arg[iarg+1], "mass_velocity") == 0) {
+        damping_model_one = MASS_VELOCITY;
+        iarg += 1;
+      } else if (strcmp(arg[iarg+1], "viscoelastic") == 0) {
+        damping_model_one = VISCOELASTIC;
+        iarg += 1;
+      } else if (strcmp(arg[iarg+1], "tsuji") == 0) {
+        damping_model_one = TSUJI;
+        iarg += 1;
+      } else error->all(FLERR, "Illegal pair_coeff command, "
+                        "unrecognized damping model");
+      iarg += 1;
+    } else if (strcmp(arg[iarg], "tangential") == 0) {
+      if (iarg + 1 >= narg)
+        error->all(FLERR,"Illegal pair_coeff command, must specify "
+                   "tangential model after tangential keyword");
+      if (strcmp(arg[iarg+1], "linear_nohistory") == 0) {
+        if (iarg + 3 >= narg)
+          error->all(FLERR,"Illegal pair_coeff command, "
+                     "not enough parameters provided for tangential model");
+        tangential_model_one = TANGENTIAL_NOHISTORY;
+        tangential_coeffs_one[0] = 0;
+        // gammat and friction coeff
+        tangential_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]);
+        tangential_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]);
+        iarg += 4;
+      } else if ((strcmp(arg[iarg+1], "linear_history") == 0) ||
+               (strcmp(arg[iarg+1], "mindlin") == 0) ||
+               (strcmp(arg[iarg+1], "mindlin_rescale") == 0)) {
+        if (iarg + 4 >= narg)
+          error->all(FLERR,"Illegal pair_coeff command, "
+                     "not enough parameters provided for tangential model");
+        if (strcmp(arg[iarg+1], "linear_history") == 0)
+          tangential_model_one = TANGENTIAL_HISTORY;
+        else if (strcmp(arg[iarg+1], "mindlin") == 0)
+          tangential_model_one = TANGENTIAL_MINDLIN;
+        else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0)
+          tangential_model_one = TANGENTIAL_MINDLIN_RESCALE;
+        tangential_history = 1;
+        if ((tangential_model_one == TANGENTIAL_MINDLIN ||
+             tangential_model_one == TANGENTIAL_MINDLIN_RESCALE) &&
+            (strcmp(arg[iarg+2], "NULL") == 0)) {
+          if (normal_model_one == HERTZ || normal_model_one == HOOKE) {
+            error->all(FLERR, "NULL setting for Mindlin tangential "
+                       "stiffness requires a normal contact model that "
+                       "specifies material properties");
+          }
+          tangential_coeffs_one[0] = -1;
+        } else {
+          tangential_coeffs_one[0] = force->numeric(FLERR,arg[iarg+2]); // kt
+        }
+        // gammat and friction coeff
+        tangential_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]);
+        tangential_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]);
+        iarg += 5;
+      } else {
+        error->all(FLERR, "Illegal pair_coeff command, "
+                   "tangential model not recognized");
+      }
+    } else if (strcmp(arg[iarg], "rolling") == 0) {
+      if (iarg + 1 >= narg)
+        error->all(FLERR, "Illegal pair_coeff command, not enough parameters");
+      if (strcmp(arg[iarg+1], "none") == 0) {
+        roll_model_one = ROLL_NONE;
+        iarg += 2;
+      } else if (strcmp(arg[iarg+1], "sds") == 0) {
+        if (iarg + 4 >= narg)
+          error->all(FLERR,"Illegal pair_coeff command, "
+                     "not enough parameters provided for rolling model");
+        roll_model_one = ROLL_SDS;
+        roll_history = 1;
+        // kR and gammaR and rolling friction coeff
+        roll_coeffs_one[0] = force->numeric(FLERR,arg[iarg+2]);
+        roll_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]);
+        roll_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]);
+        iarg += 5;
+      } else {
+        error->all(FLERR, "Illegal pair_coeff command, "
+                   "rolling friction model not recognized");
+      }
+    } else if (strcmp(arg[iarg], "twisting") == 0) {
+      if (iarg + 1 >= narg)
+        error->all(FLERR, "Illegal pair_coeff command, not enough parameters");
+      if (strcmp(arg[iarg+1], "none") == 0) {
+        twist_model_one = TWIST_NONE;
+        iarg += 2;
+      } else if (strcmp(arg[iarg+1], "marshall") == 0) {
+        twist_model_one = TWIST_MARSHALL;
+        twist_history = 1;
+        iarg += 2;
+      } else if (strcmp(arg[iarg+1], "sds") == 0) {
+        if (iarg + 4 >= narg)
+          error->all(FLERR,"Illegal pair_coeff command, "
+                     "not enough parameters provided for twist model");
+        twist_model_one = TWIST_SDS;
+        twist_history = 1;
+        // kt and gammat and friction coeff
+        twist_coeffs_one[0] = force->numeric(FLERR,arg[iarg+2]);
+        twist_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]);
+        twist_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]);
+        iarg += 5;
+      } else {
+        error->all(FLERR, "Illegal pair_coeff command, "
+                   "twisting friction model not recognized");
+      }
+    } else if (strcmp(arg[iarg], "cutoff") == 0) {
+      if (iarg + 1 >= narg)
+        error->all(FLERR, "Illegal pair_coeff command, not enough parameters");
+      cutoff_one = force->numeric(FLERR,arg[iarg+1]);
+      iarg += 2;
+    } else error->all(FLERR, "Illegal pair coeff command");
+  }
+
+  // error not to specify normal or tangential model
+  if ((normal_model_one < 0) || (tangential_model_one < 0))
+    error->all(FLERR, "Illegal pair coeff command, "
+               "must specify normal or tangential contact model");
+
+  int count = 0;
+  double damp;
+  if (damping_model_one == TSUJI) {
+    double cor;
+    cor = normal_coeffs_one[1];
+    damp = 1.2728-4.2783*cor+11.087*square(cor)-22.348*cube(cor)+
+        27.467*powint(cor,4)-18.022*powint(cor,5)+4.8218*powint(cor,6);
+  } else damp = normal_coeffs_one[1];
+
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      normal_model[i][j] = normal_model[j][i] = normal_model_one;
+      normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = damp;
+      if (normal_model_one != HERTZ && normal_model_one != HOOKE) {
+        Emod[i][j] = Emod[j][i] = normal_coeffs_one[0];
+        poiss[i][j] = poiss[j][i] = normal_coeffs_one[2];
+        normal_coeffs[i][j][0] = normal_coeffs[j][i][0] =
+          FOURTHIRDS*mix_stiffnessE(Emod[i][j],Emod[i][j],
+                                    poiss[i][j],poiss[i][j]);
+      } else {
+        normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = normal_coeffs_one[0];
+      }
+      if ((normal_model_one == JKR) || (normal_model_one == DMT))
+        normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = normal_coeffs_one[3];
+
+      damping_model[i][j] = damping_model[j][i] = damping_model_one;
+
+      tangential_model[i][j] = tangential_model[j][i] = tangential_model_one;
+      if (tangential_coeffs_one[0] == -1) {
+        tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] =
+          8*mix_stiffnessG(Emod[i][j],Emod[i][j],poiss[i][j],poiss[i][j]);
+      } else {
+        tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] =
+          tangential_coeffs_one[0];
+      }
+      for (int k = 1; k < 3; k++)
+        tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] =
+          tangential_coeffs_one[k];
+
+      roll_model[i][j] = roll_model[j][i] = roll_model_one;
+      if (roll_model_one != ROLL_NONE)
+        for (int k = 0; k < 3; k++)
+          roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = roll_coeffs_one[k];
+
+      twist_model[i][j] = twist_model[j][i] = twist_model_one;
+      if (twist_model_one != TWIST_NONE && twist_model_one != TWIST_MARSHALL)
+        for (int k = 0; k < 3; k++)
+          twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = twist_coeffs_one[k];
+
+      cutoff_type[i][j] = cutoff_type[j][i] = cutoff_one;
+
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+  init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairGranular::init_style()
+{
+  int i;
+
+  // error and warning checks
+
+  if (!atom->radius_flag || !atom->rmass_flag)
+    error->all(FLERR,"Pair granular requires atom attributes radius, rmass");
+  if (comm->ghost_velocity == 0)
+    error->all(FLERR,"Pair granular requires ghost atoms store velocity");
+
+  // determine whether we need a granular neigh list, how large it needs to be
+
+  use_history = normal_history || tangential_history ||
+    roll_history || twist_history;
+
+  // for JKR, will need fix/neigh/history to keep track of touch arrays
+
+  for (int i = 1; i <= atom->ntypes; i++)
+    for (int j = i; j <= atom->ntypes; j++)
+      if (normal_model[i][j] == JKR) use_history = 1;
+
+  size_history = 3*tangential_history + 3*roll_history + twist_history;
+
+  // determine location of tangential/roll/twist histories in array
+
+  if (roll_history) {
+    if (tangential_history) roll_history_index = 3;
+    else roll_history_index = 0;
+  }
+  if (twist_history) {
+    if (tangential_history) {
+      if (roll_history) twist_history_index = 6;
+      else twist_history_index = 3;
+    } else {
+      if (roll_history) twist_history_index = 3;
+      else twist_history_index = 0;
+    }
+  }
+  for (int i = 1; i <= atom->ntypes; i++)
+    for (int j = i; j <= atom->ntypes; j++)
+      if (tangential_model[i][j] == TANGENTIAL_MINDLIN_RESCALE) {
+        size_history += 1;
+        roll_history_index += 1;
+        twist_history_index += 1;
+        nondefault_history_transfer = 1;
+        history_transfer_factors = new int[size_history];
+        for (int ii = 0; ii < size_history; ++ii)
+          history_transfer_factors[ii] = -1;
+        history_transfer_factors[3] = 1;
+        break;
+      }
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->size = 1;
+  if (use_history) neighbor->requests[irequest]->history = 1;
+
+  dt = update->dt;
+
+  // if history is stored:
+  // if first init, create Fix needed for storing history
+
+  if (use_history && fix_history == NULL) {
+    char dnumstr[16];
+    sprintf(dnumstr,"%d",size_history);
+    char **fixarg = new char*[4];
+    fixarg[0] = (char *) "NEIGH_HISTORY";
+    fixarg[1] = (char *) "all";
+    fixarg[2] = (char *) "NEIGH_HISTORY";
+    fixarg[3] = dnumstr;
+    modify->add_fix(4,fixarg,1);
+    delete [] fixarg;
+    fix_history = (FixNeighHistory *) modify->fix[modify->nfix-1];
+    fix_history->pair = this;
+  }
+
+  // check for FixFreeze and set freeze_group_bit
+
+  for (i = 0; i < modify->nfix; i++)
+    if (strcmp(modify->fix[i]->style,"freeze") == 0) break;
+  if (i < modify->nfix) freeze_group_bit = modify->fix[i]->groupbit;
+  else freeze_group_bit = 0;
+
+  // check for FixRigid so can extract rigid body masses
+
+  fix_rigid = NULL;
+  for (i = 0; i < modify->nfix; i++)
+    if (modify->fix[i]->rigid_flag) break;
+  if (i < modify->nfix) fix_rigid = modify->fix[i];
+
+  // check for FixPour and FixDeposit so can extract particle radii
+
+  int ipour;
+  for (ipour = 0; ipour < modify->nfix; ipour++)
+    if (strcmp(modify->fix[ipour]->style,"pour") == 0) break;
+  if (ipour == modify->nfix) ipour = -1;
+
+  int idep;
+  for (idep = 0; idep < modify->nfix; idep++)
+    if (strcmp(modify->fix[idep]->style,"deposit") == 0) break;
+  if (idep == modify->nfix) idep = -1;
+
+  // set maxrad_dynamic and maxrad_frozen for each type
+  // include future FixPour and FixDeposit particles as dynamic
+
+  int itype;
+  for (i = 1; i <= atom->ntypes; i++) {
+    onerad_dynamic[i] = onerad_frozen[i] = 0.0;
+    if (ipour >= 0) {
+      itype = i;
+      double radmax = *((double *) modify->fix[ipour]->extract("radius",itype));
+      onerad_dynamic[i] = radmax;
+    }
+    if (idep >= 0) {
+      itype = i;
+      double radmax = *((double *) modify->fix[idep]->extract("radius",itype));
+      onerad_dynamic[i] = radmax;
+    }
+  }
+
+  double *radius = atom->radius;
+  int *mask = atom->mask;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+
+  for (i = 0; i < nlocal; i++) {
+    double radius_cut = radius[i];
+    if (mask[i] & freeze_group_bit) {
+      onerad_frozen[type[i]] = MAX(onerad_frozen[type[i]],radius_cut);
+    } else {
+      onerad_dynamic[type[i]] = MAX(onerad_dynamic[type[i]],radius_cut);
+    }
+  }
+
+  MPI_Allreduce(&onerad_dynamic[1],&maxrad_dynamic[1],atom->ntypes,
+                MPI_DOUBLE,MPI_MAX,world);
+  MPI_Allreduce(&onerad_frozen[1],&maxrad_frozen[1],atom->ntypes,
+                MPI_DOUBLE,MPI_MAX,world);
+
+  // set fix which stores history info
+
+  if (size_history > 0) {
+    int ifix = modify->find_fix("NEIGH_HISTORY");
+    if (ifix < 0) error->all(FLERR,"Could not find pair fix neigh history ID");
+    fix_history = (FixNeighHistory *) modify->fix[ifix];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairGranular::init_one(int i, int j)
+{
+  double cutoff;
+
+  if (setflag[i][j] == 0) {
+    if ((normal_model[i][i] != normal_model[j][j]) ||
+        (damping_model[i][i] != damping_model[j][j]) ||
+        (tangential_model[i][i] != tangential_model[j][j]) ||
+        (roll_model[i][i] != roll_model[j][j]) ||
+        (twist_model[i][i] != twist_model[j][j])) {
+
+      char str[512];
+      sprintf(str,"Granular pair style functional forms are different, "
+              "cannot mix coefficients for types %d and %d. \n"
+              "This combination must be set explicitly "
+              "via pair_coeff command",i,j);
+      error->one(FLERR,str);
+    }
+
+    if (normal_model[i][j] == HERTZ || normal_model[i][j] == HOOKE)
+      normal_coeffs[i][j][0] = normal_coeffs[j][i][0] =
+        mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]);
+    else
+      normal_coeffs[i][j][0] = normal_coeffs[j][i][0] =
+        mix_stiffnessE(Emod[i][i], Emod[j][j], poiss[i][i], poiss[j][j]);
+
+    normal_coeffs[i][j][1] = normal_coeffs[j][i][1] =
+      mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]);
+    if ((normal_model[i][j] == JKR) || (normal_model[i][j] == DMT))
+      normal_coeffs[i][j][3] = normal_coeffs[j][i][3] =
+        mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]);
+
+    for (int k = 0; k < 3; k++)
+      tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] =
+        mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]);
+
+    if (roll_model[i][j] != ROLL_NONE) {
+      for (int k = 0; k < 3; k++)
+        roll_coeffs[i][j][k] = roll_coeffs[j][i][k] =
+          mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]);
+    }
+
+    if (twist_model[i][j] != TWIST_NONE && twist_model[i][j] != TWIST_MARSHALL) {
+      for (int k = 0; k < 3; k++)
+        twist_coeffs[i][j][k] = twist_coeffs[j][i][k] =
+          mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]);
+    }
+  }
+
+  // It is possible that cut[i][j] at this point is still 0.0.
+  // This can happen when
+  // there is a future fix_pour after the current run. A cut[i][j] = 0.0 creates
+  // problems because neighbor.cpp uses min(cut[i][j]) to decide on the bin size
+  // To avoid this issue, for cases involving  cut[i][j] = 0.0 (possible only
+  // if there is no current information about radius/cutoff of type i and j).
+  // we assign cutoff = max(cut[i][j]) for i,j such that cut[i][j] > 0.0.
+
+  double pulloff;
+
+  if (cutoff_type[i][j] < 0 && cutoff_global < 0) {
+    if (((maxrad_dynamic[i] > 0.0) && (maxrad_dynamic[j] > 0.0)) ||
+        ((maxrad_dynamic[i] > 0.0) &&  (maxrad_frozen[j] > 0.0)) ||
+        // radius info about both i and j exist
+        ((maxrad_frozen[i] > 0.0)  && (maxrad_dynamic[j] > 0.0))) {
+      cutoff = maxrad_dynamic[i]+maxrad_dynamic[j];
+      pulloff = 0.0;
+      if (normal_model[i][j] == JKR) {
+        pulloff = pulloff_distance(maxrad_dynamic[i], maxrad_dynamic[j], i, j);
+        cutoff += pulloff;
+      }
+
+      if (normal_model[i][j] == JKR)
+        pulloff = pulloff_distance(maxrad_frozen[i], maxrad_dynamic[j], i, j);
+      cutoff = MAX(cutoff, maxrad_frozen[i]+maxrad_dynamic[j]+pulloff);
+
+      if (normal_model[i][j] == JKR)
+        pulloff = pulloff_distance(maxrad_dynamic[i], maxrad_frozen[j], i, j);
+      cutoff = MAX(cutoff,maxrad_dynamic[i]+maxrad_frozen[j]+pulloff);
+
+    } else {
+
+      // radius info about either i or j does not exist
+      // (i.e. not present and not about to get poured;
+      // set to largest value to not interfere with neighbor list)
+
+      double cutmax = 0.0;
+      for (int k = 1; k <= atom->ntypes; k++) {
+        cutmax = MAX(cutmax,2.0*maxrad_dynamic[k]);
+        cutmax = MAX(cutmax,2.0*maxrad_frozen[k]);
+      }
+      cutoff = cutmax;
+    }
+  } else if (cutoff_type[i][j] > 0) {
+    cutoff = cutoff_type[i][j];
+  } else if (cutoff_global > 0) {
+    cutoff = cutoff_global;
+  }
+
+  return cutoff;
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairGranular::write_restart(FILE *fp)
+{
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+        fwrite(&normal_model[i][j],sizeof(int),1,fp);
+        fwrite(&damping_model[i][j],sizeof(int),1,fp);
+        fwrite(&tangential_model[i][j],sizeof(int),1,fp);
+        fwrite(&roll_model[i][j],sizeof(int),1,fp);
+        fwrite(&twist_model[i][j],sizeof(int),1,fp);
+        fwrite(normal_coeffs[i][j],sizeof(double),4,fp);
+        fwrite(tangential_coeffs[i][j],sizeof(double),3,fp);
+        fwrite(roll_coeffs[i][j],sizeof(double),3,fp);
+        fwrite(twist_coeffs[i][j],sizeof(double),3,fp);
+        fwrite(&cutoff_type[i][j],sizeof(double),1,fp);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairGranular::read_restart(FILE *fp)
+{
+  allocate();
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+        if (me == 0) {
+          fread(&normal_model[i][j],sizeof(int),1,fp);
+          fread(&damping_model[i][j],sizeof(int),1,fp);
+          fread(&tangential_model[i][j],sizeof(int),1,fp);
+          fread(&roll_model[i][j],sizeof(int),1,fp);
+          fread(&twist_model[i][j],sizeof(int),1,fp);
+          fread(normal_coeffs[i][j],sizeof(double),4,fp);
+          fread(tangential_coeffs[i][j],sizeof(double),3,fp);
+          fread(roll_coeffs[i][j],sizeof(double),3,fp);
+          fread(twist_coeffs[i][j],sizeof(double),3,fp);
+          fread(&cutoff_type[i][j],sizeof(double),1,fp);
+        }
+        MPI_Bcast(&normal_model[i][j],1,MPI_INT,0,world);
+        MPI_Bcast(&damping_model[i][j],1,MPI_INT,0,world);
+        MPI_Bcast(&tangential_model[i][j],1,MPI_INT,0,world);
+        MPI_Bcast(&roll_model[i][j],1,MPI_INT,0,world);
+        MPI_Bcast(&twist_model[i][j],1,MPI_INT,0,world);
+        MPI_Bcast(normal_coeffs[i][j],4,MPI_DOUBLE,0,world);
+        MPI_Bcast(tangential_coeffs[i][j],3,MPI_DOUBLE,0,world);
+        MPI_Bcast(roll_coeffs[i][j],3,MPI_DOUBLE,0,world);
+        MPI_Bcast(twist_coeffs[i][j],3,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cutoff_type[i][j],1,MPI_DOUBLE,0,world);
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairGranular::reset_dt()
+{
+  dt = update->dt;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairGranular::single(int i, int j, int itype, int jtype,
+                            double rsq, double /* factor_coul */,
+                            double /* factor_lj */, double &fforce)
+{
+  double radi,radj,radsum;
+  double r,rinv,delx,dely,delz, nx, ny, nz, Reff;
+  double dR, dR2;
+  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3,wr1,wr2,wr3;
+  double vtr1,vtr2,vtr3,vrel;
+  double mi,mj,meff;
+  double relrot1,relrot2,relrot3,vrl1,vrl2,vrl3;
+
+  double knfac, damp_normal, damp_normal_prefactor;
+  double k_tangential, damp_tangential;
+  double Fne, Ft, Fdamp, Fntot, Fncrit, Fscrit, Frcrit;
+  double fs, fs1, fs2, fs3;
+
+  // for JKR
+  double R2, coh, F_pulloff, delta_pulloff, dist_pulloff, a, a2, E;
+  double delta, t0, t1, t2, t3, t4, t5, t6;
+  double sqrt1, sqrt2, sqrt3;
+
+  // rolling
+  double k_roll, damp_roll;
+  double rollmag;
+  double fr, fr1, fr2, fr3;
+
+  // twisting
+  double k_twist, damp_twist, mu_twist;
+  double signtwist, magtwist, magtortwist, Mtcrit;
+
+  double shrmag;
+  int jnum;
+  int *jlist;
+  double *history,*allhistory;
+
+  double *radius = atom->radius;
+  radi = radius[i];
+  radj = radius[j];
+  radsum = radi + radj;
+  Reff = radi*radj/radsum;
+
+  bool touchflag;
+  E = normal_coeffs[itype][jtype][0];
+  if (normal_model[itype][jtype] == JKR) {
+    E *= THREEQUARTERS;
+    R2 = Reff*Reff;
+    coh = normal_coeffs[itype][jtype][3];
+    a = cbrt(9.0*MY_PI*coh*R2/(4*E));
+    delta_pulloff = a*a/Reff - 2*sqrt(MY_PI*coh*a/E);
+    dist_pulloff = radsum+delta_pulloff;
+    touchflag = (rsq <= dist_pulloff*dist_pulloff);
+  } else touchflag = (rsq <= radsum*radsum);
+
+  if (!touchflag) {
+    fforce = 0.0;
+    for (int m = 0; m < single_extra; m++) svector[m] = 0.0;
+    return 0.0;
+  }
+
+  double **x = atom->x;
+  delx = x[i][0] - x[j][0];
+  dely = x[i][1] - x[j][1];
+  delz = x[i][2] - x[j][2];
+  r = sqrt(rsq);
+  rinv = 1.0/r;
+
+  nx = delx*rinv;
+  ny = dely*rinv;
+  nz = delz*rinv;
+
+  // relative translational velocity
+
+  double **v = atom->v;
+  vr1 = v[i][0] - v[j][0];
+  vr2 = v[i][1] - v[j][1];
+  vr3 = v[i][2] - v[j][2];
+
+  // normal component
+
+  vnnr = vr1*nx + vr2*ny + vr3*nz;
+  vn1 = nx*vnnr;
+  vn2 = ny*vnnr;
+  vn3 = nz*vnnr;
+
+  double *rmass = atom->rmass;
+  int *mask = atom->mask;
+  mi = rmass[i];
+  mj = rmass[j];
+  if (fix_rigid) {
+    if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
+    if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
+  }
+
+  meff = mi*mj / (mi+mj);
+  if (mask[i] & freeze_group_bit) meff = mj;
+  if (mask[j] & freeze_group_bit) meff = mi;
+
+  delta = radsum - r;
+  dR = delta*Reff;
+
+  // tangential component
+
+  vt1 = vr1 - vn1;
+  vt2 = vr2 - vn2;
+  vt3 = vr3 - vn3;
+
+  // relative rotational velocity
+
+  double **omega = atom->omega;
+  wr1 = (radi*omega[i][0] + radj*omega[j][0]);
+  wr2 = (radi*omega[i][1] + radj*omega[j][1]);
+  wr3 = (radi*omega[i][2] + radj*omega[j][2]);
+
+  // meff = effective mass of pair of particles
+  // if I or J part of rigid body, use body mass
+  // if I or J is frozen, meff is other particle
+
+  mi = rmass[i];
+  mj = rmass[j];
+  if (fix_rigid) {
+    // NOTE: ensure mass_rigid is current for owned+ghost atoms?
+    if (mass_rigid[i] > 0.0) mi = mass_rigid[i];
+    if (mass_rigid[j] > 0.0) mj = mass_rigid[j];
+  }
+
+  meff = mi*mj / (mi+mj);
+  if (mask[i] & freeze_group_bit) meff = mj;
+  if (mask[j] & freeze_group_bit) meff = mi;
+
+  delta = radsum - r;
+  dR = delta*Reff;
+  if (normal_model[itype][jtype] == JKR) {
+    dR2 = dR*dR;
+    t0 = coh*coh*R2*R2*E;
+    t1 = PI27SQ*t0;
+    t2 = 8*dR*dR2*E*E*E;
+    t3 = 4*dR2*E;
+    // in case sqrt(0) < 0 due to precision issues
+    sqrt1 = MAX(0, t0*(t1+2*t2));
+    t4 = cbrt(t1+t2+THREEROOT3*MY_PI*sqrt(sqrt1));
+    t5 = t3/t4 + t4/E;
+    sqrt2 = MAX(0, 2*dR + t5);
+    t6 = sqrt(sqrt2);
+    sqrt3 = MAX(0, 4*dR - t5 + SIXROOT6*coh*MY_PI*R2/(E*t6));
+    a = INVROOT6*(t6 + sqrt(sqrt3));
+    a2 = a*a;
+    knfac = normal_coeffs[itype][jtype][0]*a;
+    Fne = knfac*a2/Reff - MY_2PI*a2*sqrt(4*coh*E/(MY_PI*a));
+  } else {
+    knfac = E;
+    Fne = knfac*delta;
+    a = sqrt(dR);
+    if (normal_model[itype][jtype] != HOOKE) {
+      Fne *= a;
+      knfac *= a;
+    }
+    if (normal_model[itype][jtype] == DMT)
+      Fne -= 4*MY_PI*normal_coeffs[itype][jtype][3]*Reff;
+  }
+
+  if (damping_model[itype][jtype] == VELOCITY) {
+    damp_normal = normal_coeffs[itype][jtype][1];
+  } else if (damping_model[itype][jtype] == VISCOELASTIC) {
+    damp_normal = normal_coeffs[itype][jtype][1]*a*meff;
+  } else if (damping_model[itype][jtype] == TSUJI) {
+    damp_normal = normal_coeffs[itype][jtype][1]*sqrt(meff*knfac);
+  }
+
+  damp_normal_prefactor = normal_coeffs[itype][jtype][1]*damp_normal;
+  Fdamp = -damp_normal_prefactor*vnnr;
+
+  Fntot = Fne + Fdamp;
+
+  jnum = list->numneigh[i];
+  jlist = list->firstneigh[i];
+
+  if (use_history) {
+    allhistory = fix_history->firstvalue[i];
+    for (int jj = 0; jj < jnum; jj++) {
+      neighprev++;
+      if (neighprev >= jnum) neighprev = 0;
+      if (jlist[neighprev] == j) break;
+    }
+    history = &allhistory[size_history*neighprev];
+  }
+
+  //****************************************
+  // tangential force, including history effects
+  //****************************************
+
+  // tangential component
+  vt1 = vr1 - vn1;
+  vt2 = vr2 - vn2;
+  vt3 = vr3 - vn3;
+
+  // relative rotational velocity
+  wr1 = (radi*omega[i][0] + radj*omega[j][0]);
+  wr2 = (radi*omega[i][1] + radj*omega[j][1]);
+  wr3 = (radi*omega[i][2] + radj*omega[j][2]);
+
+  // relative tangential velocities
+  vtr1 = vt1 - (nz*wr2-ny*wr3);
+  vtr2 = vt2 - (nx*wr3-nz*wr1);
+  vtr3 = vt3 - (ny*wr1-nx*wr2);
+  vrel = vtr1*vtr1 + vtr2*vtr2 + vtr3*vtr3;
+  vrel = sqrt(vrel);
+
+  if (normal_model[itype][jtype] == JKR) {
+    F_pulloff = 3*MY_PI*coh*Reff;
+    Fncrit = fabs(Fne + 2*F_pulloff);
+  } else if (normal_model[itype][jtype] == DMT) {
+    F_pulloff = 4*MY_PI*coh*Reff;
+    Fncrit = fabs(Fne + 2*F_pulloff);
+  } else {
+    Fncrit = fabs(Fntot);
+  }
+
+  //------------------------------
+  // tangential forces
+  //------------------------------
+  k_tangential = tangential_coeffs[itype][jtype][0];
+  damp_tangential = tangential_coeffs[itype][jtype][1]*damp_normal_prefactor;
+
+  if (tangential_history) {
+    if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN) {
+      k_tangential *= a;
+    } else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) {
+      k_tangential *= a;
+      // on unloading, rescale the shear displacements
+      if (a < history[3]) {
+        double factor = a/history[3];
+        history[0] *= factor;
+        history[1] *= factor;
+        history[2] *= factor;
+      }
+    }
+
+    shrmag = sqrt(history[0]*history[0] + history[1]*history[1] +
+        history[2]*history[2]);
+
+    // tangential forces = history + tangential velocity damping
+    fs1 = -k_tangential*history[0] - damp_tangential*vtr1;
+    fs2 = -k_tangential*history[1] - damp_tangential*vtr2;
+    fs3 = -k_tangential*history[2] - damp_tangential*vtr3;
+
+    // rescale frictional displacements and forces if needed
+    Fscrit = tangential_coeffs[itype][jtype][2] * Fncrit;
+    fs = sqrt(fs1*fs1 + fs2*fs2 + fs3*fs3);
+    if (fs > Fscrit) {
+      if (shrmag != 0.0) {
+        history[0] = -1.0/k_tangential*(Fscrit*fs1/fs + damp_tangential*vtr1);
+        history[1] = -1.0/k_tangential*(Fscrit*fs2/fs + damp_tangential*vtr2);
+        history[2] = -1.0/k_tangential*(Fscrit*fs3/fs + damp_tangential*vtr3);
+        fs1 *= Fscrit/fs;
+        fs2 *= Fscrit/fs;
+        fs3 *= Fscrit/fs;
+      } else fs1 = fs2 = fs3 = 0.0;
+    }
+
+  // classic pair gran/hooke (no history)
+  } else {
+    fs = meff*damp_tangential*vrel;
+    if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel;
+    else Ft = 0.0;
+    fs1 = -Ft*vtr1;
+    fs2 = -Ft*vtr2;
+    fs3 = -Ft*vtr3;
+  }
+
+  //****************************************
+  // rolling resistance
+  //****************************************
+
+  if (roll_model[itype][jtype] != ROLL_NONE) {
+    relrot1 = omega[i][0] - omega[j][0];
+    relrot2 = omega[i][1] - omega[j][1];
+    relrot3 = omega[i][2] - omega[j][2];
+
+    // rolling velocity, see eq. 31 of Wang et al, Particuology v 23, p 49 (2015)
+    // this is different from the Marshall papers,
+    // which use the Bagi/Kuhn formulation
+    // for rolling velocity (see Wang et al for why the latter is wrong)
+
+    vrl1 = Reff*(relrot2*nz - relrot3*ny); //- 0.5*((radj-radi)/radsum)*vtr1;
+    vrl2 = Reff*(relrot3*nx - relrot1*nz); //- 0.5*((radj-radi)/radsum)*vtr2;
+    vrl3 = Reff*(relrot1*ny - relrot2*nx); //- 0.5*((radj-radi)/radsum)*vtr3;
+
+    int rhist0 = roll_history_index;
+    int rhist1 = rhist0 + 1;
+    int rhist2 = rhist1 + 1;
+
+    // rolling displacement
+    rollmag = sqrt(history[rhist0]*history[rhist0] +
+        history[rhist1]*history[rhist1] +
+        history[rhist2]*history[rhist2]);
+
+    k_roll = roll_coeffs[itype][jtype][0];
+    damp_roll = roll_coeffs[itype][jtype][1];
+    fr1 = -k_roll*history[rhist0] - damp_roll*vrl1;
+    fr2 = -k_roll*history[rhist1] - damp_roll*vrl2;
+    fr3 = -k_roll*history[rhist2] - damp_roll*vrl3;
+
+    // rescale frictional displacements and forces if needed
+    Frcrit = roll_coeffs[itype][jtype][2] * Fncrit;
+
+    fr = sqrt(fr1*fr1 + fr2*fr2 + fr3*fr3);
+    if (fr > Frcrit) {
+      if (rollmag != 0.0) {
+        fr1 *= Frcrit/fr;
+        fr2 *= Frcrit/fr;
+        fr3 *= Frcrit/fr;
+      } else fr1 = fr2 = fr3 = 0.0;
+    }
+
+  }
+
+  //****************************************
+  // twisting torque, including history effects
+  //****************************************
+
+  if (twist_model[itype][jtype] != TWIST_NONE) {
+    // omega_T (eq 29 of Marshall)
+    magtwist = relrot1*nx + relrot2*ny + relrot3*nz;
+    if (twist_model[itype][jtype] == TWIST_MARSHALL) {
+      k_twist = 0.5*k_tangential*a*a;; //eq 32
+      damp_twist = 0.5*damp_tangential*a*a;
+      mu_twist = TWOTHIRDS*a*tangential_coeffs[itype][jtype][2];;
+    } else {
+      k_twist = twist_coeffs[itype][jtype][0];
+      damp_twist = twist_coeffs[itype][jtype][1];
+      mu_twist = twist_coeffs[itype][jtype][2];
+    }
+    // M_t torque (eq 30)
+    magtortwist = -k_twist*history[twist_history_index] - damp_twist*magtwist;
+    signtwist = (magtwist > 0) - (magtwist < 0);
+    Mtcrit = mu_twist*Fncrit; // critical torque (eq 44)
+    if (fabs(magtortwist) > Mtcrit) {
+      magtortwist = -Mtcrit * signtwist; // eq 34
+    }
+  }
+
+  // set single_extra quantities
+
+  svector[0] = fs1;
+  svector[1] = fs2;
+  svector[2] = fs3;
+  svector[3] = fs;
+  svector[4] = fr1;
+  svector[5] = fr2;
+  svector[6] = fr3;
+  svector[7] = fr;
+  svector[8] = magtortwist;
+  svector[9] = delx;
+  svector[10] = dely;
+  svector[11] = delz;
+  return 0.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int PairGranular::pack_forward_comm(int n, int *list, double *buf,
+                                    int /* pbc_flag */, int * /* pbc */)
+{
+  int i,j,m;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    buf[m++] = mass_rigid[j];
+  }
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairGranular::unpack_forward_comm(int n, int first, double *buf)
+{
+  int i,m,last;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++)
+    mass_rigid[i] = buf[m++];
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based arrays
+------------------------------------------------------------------------- */
+
+double PairGranular::memory_usage()
+{
+  double bytes = nmax * sizeof(double);
+  return bytes;
+}
+
+/* ----------------------------------------------------------------------
+   mixing of Young's modulus (E)
+------------------------------------------------------------------------- */
+
+double PairGranular::mix_stiffnessE(double Eii, double Ejj,
+                                    double poisii, double poisjj)
+{
+  return 1/((1-poisii*poisii)/Eii+(1-poisjj*poisjj)/Ejj);
+}
+
+/* ----------------------------------------------------------------------
+   mixing of shear modulus (G)
+------------------------------------------------------------------------ */
+
+double PairGranular::mix_stiffnessG(double Eii, double Ejj,
+                                    double poisii, double poisjj)
+{
+  return 1/((2*(2-poisii)*(1+poisii)/Eii) + (2*(2-poisjj)*(1+poisjj)/Ejj));
+}
+
+/* ----------------------------------------------------------------------
+   mixing of everything else
+------------------------------------------------------------------------- */
+
+double PairGranular::mix_geom(double valii, double valjj)
+{
+  return sqrt(valii*valjj);
+}
+
+
+/* ----------------------------------------------------------------------
+   compute pull-off distance (beyond contact) for a given radius and atom type
+------------------------------------------------------------------------- */
+
+double PairGranular::pulloff_distance(double radi, double radj,
+                                      int itype, int jtype)
+{
+  double E, coh, a, Reff;
+  Reff = radi*radj/(radi+radj);
+  if (Reff <= 0) return 0;
+  coh = normal_coeffs[itype][jtype][3];
+  E = normal_coeffs[itype][jtype][0]*THREEQUARTERS;
+  a = cbrt(9*MY_PI*coh*Reff*Reff/(4*E));
+  return a*a/Reff - 2*sqrt(MY_PI*coh*a/E);
+}
+
+/* ----------------------------------------------------------------------
+   transfer history during fix/neigh/history exchange
+   only needed if any history entries i-j are not just negative of j-i entries
+------------------------------------------------------------------------- */
+
+void PairGranular::transfer_history(double* source, double* target)
+{
+  for (int i = 0; i < size_history; i++)
+    target[i] = history_transfer_factors[i]*source[i];
+}
diff --git a/src/GRANULAR/pair_granular.h b/src/GRANULAR/pair_granular.h
new file mode 100644
index 0000000000000000000000000000000000000000..d799acb7334e559d4b2495cd83d79699d2afc60e
--- /dev/null
+++ b/src/GRANULAR/pair_granular.h
@@ -0,0 +1,114 @@
+/* ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(granular,PairGranular)
+
+#else
+
+#ifndef LMP_PAIR_GRANULAR_H
+#define LMP_PAIR_GRANULAR_H
+
+#include "pair.h"
+
+namespace LAMMPS_NS {
+
+class PairGranular : public Pair {
+ public:
+  PairGranular(class LAMMPS *);
+  ~PairGranular();
+  void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  void init_style();
+  double init_one(int, int);
+  void write_restart(FILE *);
+  void read_restart(FILE *);
+  void reset_dt();
+  double single(int, int, int, int, double, double, double, double &);
+  int pack_forward_comm(int, int *, double *, int, int *);
+  void unpack_forward_comm(int, int, double *);
+  double memory_usage();
+
+ protected:
+  double dt;
+  int freeze_group_bit;
+  int use_history;
+
+  int neighprev;
+  double *onerad_dynamic,*onerad_frozen;
+  double *maxrad_dynamic,*maxrad_frozen;
+  double **cut;
+
+  class FixNeighHistory *fix_history;
+
+  // storage of rigid body masses for use in granular interactions
+
+  class Fix *fix_rigid;    // ptr to rigid body fix, NULL if none
+  double *mass_rigid;      // rigid mass for owned+ghost atoms
+  int nmax;                // allocated size of mass_rigid
+
+  void allocate();
+  void transfer_history(double*, double*);
+
+ private:
+  int size_history;
+  int *history_transfer_factors;
+
+  // model choices
+  int **normal_model, **damping_model;
+  int **tangential_model, **roll_model, **twist_model;
+
+  // history flags
+  int normal_history, tangential_history, roll_history, twist_history;
+
+  // indices of history entries
+  int normal_history_index;
+  int tangential_history_index;
+  int roll_history_index;
+  int twist_history_index;
+
+  // per-type material coefficients
+  double **Emod, **poiss, **Gmod;
+
+  // per-type coefficients, set in pair coeff command
+  double ***normal_coeffs;
+  double ***tangential_coeffs;
+  double ***roll_coeffs;
+  double ***twist_coeffs;
+
+  // optional user-specified global cutoff, per-type user-specified cutoffs
+  double **cutoff_type;
+  double cutoff_global;
+
+  double mix_stiffnessE(double, double, double, double);
+  double mix_stiffnessG(double, double, double, double);
+  double mix_geom(double, double);
+  double pulloff_distance(double, double, int, int);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+ */
diff --git a/src/KIM/README b/src/KIM/README
index 496db92cf23471109cce0c30d0a03aa2cf06ac03..a69206596f01e752146d2f26bc25c447572fbf71 100644
--- a/src/KIM/README
+++ b/src/KIM/README
@@ -26,5 +26,4 @@ library you can test it using an input file from the examples dir:
 
 ./lmp_serial < lammps/examples/kim/in.kim.lj
 
-This pair_style was written by Valeriu Smirichinski and Ryan
-S. Elliott (U Minn).
+This pair_style was written by Ryan S. Elliott (U Minn).
diff --git a/src/KIM/kim_query.cpp b/src/KIM/kim_query.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fedc9761104caa2587f3a6e13f07c4dece63e79e
--- /dev/null
+++ b/src/KIM/kim_query.cpp
@@ -0,0 +1,237 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Axel Kohlmeyer (Temple U),
+                         Ryan S. Elliott (UMN)
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   This program is free software; you can redistribute it and/or modify it
+   under the terms of the GNU General Public License as published by the Free
+   Software Foundation; either version 2 of the License, or (at your option)
+   any later version.
+
+   This program is distributed in the hope that it will be useful, but WITHOUT
+   ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+   FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for
+   more details.
+
+   You should have received a copy of the GNU General Public License along with
+   this program; if not, see <https://www.gnu.org/licenses>.
+
+   Linking LAMMPS statically or dynamically with other modules is making a
+   combined work based on LAMMPS. Thus, the terms and conditions of the GNU
+   General Public License cover the whole combination.
+
+   In addition, as a special exception, the copyright holders of LAMMPS give
+   you permission to combine LAMMPS with free software programs or libraries
+   that are released under the GNU LGPL and with code included in the standard
+   release of the "kim-api" under the CDDL (or modified versions of such code,
+   with unchanged license). You may copy and distribute such a system following
+   the terms of the GNU GPL for LAMMPS and the licenses of the other code
+   concerned, provided that you include the source code of that other code
+   when and as the GNU GPL requires distribution of source code.
+
+   Note that people who make modified versions of LAMMPS are not obligated to
+   grant this special exception for their modified versions; it is their choice
+   whether to do so. The GNU General Public License gives permission to release
+   a modified version without this exception; this exception also makes it
+   possible to release a modified version which carries forward this exception.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Designed for use with the kim-api-2.0.2 (and newer) package
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cstring>
+#include <string>
+#include "kim_query.h"
+#include "comm.h"
+#include "error.h"
+#include "input.h"
+#include "variable.h"
+
+#if defined(LMP_KIM_CURL)
+#include <sys/types.h>
+#include <curl/curl.h>
+#endif
+
+using namespace LAMMPS_NS;
+
+#if defined(LMP_KIM_CURL)
+
+struct WriteBuf {
+  char *dataptr;
+  size_t sizeleft;
+};
+
+static char *do_query(char *, int, char **, int, MPI_Comm);
+static size_t write_callback(void *, size_t, size_t, void *);
+
+#endif
+
+/* ---------------------------------------------------------------------- */
+
+void KimQuery::command(int narg, char **arg)
+{
+  char *varname, *function, *value;
+
+  if (narg < 2) error->all(FLERR,"Illegal kim_query command");
+
+  varname = arg[0];
+  function = arg[1];
+
+#if defined(LMP_KIM_CURL)
+
+  value = do_query(function, narg-2, arg+2, comm->me, world);
+
+  // check for valid result
+  // on error the content of "value" is a '\0' byte
+  // as the first element, and then the error message
+  // that was returned by the web server
+
+  if (0 == strlen(value)) {
+    char errmsg[512];
+
+    sprintf(errmsg,"OpenKIM query failed: %s",value+1);
+        error->all(FLERR,errmsg);
+  }
+
+  char **varcmd = new char*[3];
+  varcmd[0] = varname;
+  varcmd[1] = (char *) "string";
+  varcmd[2] = value;
+
+  input->variable->set(3,varcmd);
+
+  delete[] varcmd;
+  delete[] value;
+#else
+  error->all(FLERR,"Cannot use 'kim_query' command when KIM package "
+             "is compiled without support for libcurl");
+#endif
+}
+
+#if defined(LMP_KIM_CURL)
+
+// copy data to the user provided data structure, optionally in increments
+
+size_t write_callback(void *data, size_t size, size_t nmemb, void *userp)
+{
+  struct WriteBuf *buf = (struct WriteBuf *)userp;
+  size_t buffer_size = size*nmemb;
+
+  // copy chunks into the buffer for as long as there is space left
+  if (buf->sizeleft) {
+    size_t copy_this_much = buf->sizeleft;
+    if (copy_this_much > buffer_size)
+      copy_this_much = buffer_size;
+    memcpy(buf->dataptr, data, copy_this_much);
+
+    buf->dataptr += copy_this_much;
+    buf->sizeleft -= copy_this_much;
+    return copy_this_much;
+  }
+  return 0; // done
+}
+
+char *do_query(char *qfunction, int narg, char **arg, int rank, MPI_Comm comm)
+{
+  char value[512], *retval;
+
+  // run the web query from rank 0 only
+
+  if (rank == 0) {
+    CURL *handle;
+    CURLcode res;
+
+    // set up and clear receive buffer
+
+    struct WriteBuf buf;
+    buf.dataptr = value;
+    buf.sizeleft = 511;
+    memset(value,0,512);
+
+    // create curl web query instance
+    curl_global_init(CURL_GLOBAL_DEFAULT);
+    handle = curl_easy_init();
+
+    if (handle) {
+      std::string url("https://query.openkim.org/api/");
+      url += qfunction;
+
+      std::string query(arg[0]);
+      for (int i=1; i < narg; ++i) {
+        query += '&';
+        query += arg[i];
+      }
+
+#if LMP_DEBUG_CURL
+      curl_easy_setopt(handle, CURLOPT_VERBOSE, 1L);
+#endif
+
+#if defined(LMP_NO_SSL_CHECK)
+      // disable verifying SSL certificate and host name
+      curl_easy_setopt(handle, CURLOPT_SSL_VERIFYPEER, 0L);
+      curl_easy_setopt(handle, CURLOPT_SSL_VERIFYHOST, 0L);
+#endif
+
+      curl_easy_setopt(handle, CURLOPT_URL, url.c_str());
+      curl_easy_setopt(handle, CURLOPT_FOLLOWLOCATION, 1L);
+      curl_easy_setopt(handle, CURLOPT_POSTFIELDS, query.c_str());
+
+      curl_easy_setopt(handle, CURLOPT_WRITEFUNCTION,write_callback);
+      curl_easy_setopt(handle, CURLOPT_WRITEDATA,&buf);
+
+      // perform OpenKIM query and check for errors
+      res = curl_easy_perform(handle);
+      if (res != CURLE_OK) {
+        // on error we return an "empty" string but add error message after it
+        value[0]= '\0';
+        strcpy(value+1,curl_easy_strerror(res));
+      }
+      curl_easy_cleanup(handle);
+    }
+    curl_global_cleanup();
+  }
+  MPI_Bcast(value, 512, MPI_CHAR, 0, comm);
+
+  // we must make a proper copy of the query, as the stack allocation
+  // for "value" will go out of scope. a valid query has a '[' as
+  // the first character. skip over it (and the last character ']', too)
+  // an error messages starts with a '\0' character. copy that and
+  // the remaining string, as that is the error message.
+
+  if (value[0] == '[') {
+    int len = strlen(value)-1;
+    retval = new char[len];
+    value[len] = '\0';
+    strcpy(retval,value+1);
+  } else if (value[0] == '\0') {
+    int len = strlen(value+1)+2;
+    retval = new char[len];
+    retval[0] = '\0';
+    strcpy(retval+1,value+1);
+  } else {
+    // unknown response type. we should not get here.
+    // copy response without modifications.
+    int len = strlen(value)+1;
+    retval = new char[len];
+    strcpy(retval,value);
+  }
+  return retval;
+}
+#endif
diff --git a/src/KIM/kim_query.h b/src/KIM/kim_query.h
new file mode 100644
index 0000000000000000000000000000000000000000..3644e4519bb630a33389bca4487b1b7888d22482
--- /dev/null
+++ b/src/KIM/kim_query.h
@@ -0,0 +1,85 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Axel Kohlmeyer (Temple U),
+                         Ryan S. Elliott (UMN)
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   This program is free software; you can redistribute it and/or modify it
+   under the terms of the GNU General Public License as published by the Free
+   Software Foundation; either version 2 of the License, or (at your option)
+   any later version.
+
+   This program is distributed in the hope that it will be useful, but WITHOUT
+   ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+   FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for
+   more details.
+
+   You should have received a copy of the GNU General Public License along with
+   this program; if not, see <https://www.gnu.org/licenses>.
+
+   Linking LAMMPS statically or dynamically with other modules is making a
+   combined work based on LAMMPS. Thus, the terms and conditions of the GNU
+   General Public License cover the whole combination.
+
+   In addition, as a special exception, the copyright holders of LAMMPS give
+   you permission to combine LAMMPS with free software programs or libraries
+   that are released under the GNU LGPL and with code included in the standard
+   release of the "kim-api" under the CDDL (or modified versions of such code,
+   with unchanged license). You may copy and distribute such a system following
+   the terms of the GNU GPL for LAMMPS and the licenses of the other code
+   concerned, provided that you include the source code of that other code
+   when and as the GNU GPL requires distribution of source code.
+
+   Note that people who make modified versions of LAMMPS are not obligated to
+   grant this special exception for their modified versions; it is their choice
+   whether to do so. The GNU General Public License gives permission to release
+   a modified version without this exception; this exception also makes it
+   possible to release a modified version which carries forward this exception.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Designed for use with the kim-api-2.0.2 (and newer) package
+------------------------------------------------------------------------- */
+
+#ifdef COMMAND_CLASS
+
+CommandStyle(kim_query,KimQuery)
+
+#else
+
+#ifndef LMP_KIM_QUERY_H
+#define LMP_KIM_QUERY_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class KimQuery : protected Pointers {
+ public:
+  KimQuery(class LAMMPS *lmp) : Pointers(lmp) {};
+  void command(int, char **);
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+
+*/
diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp
index fe638214baabe8205172d78d898bd21ee75096e5..a1c13ae81fbd21bd9c611cca28e33a34577aa7f0 100644
--- a/src/KIM/pair_kim.cpp
+++ b/src/KIM/pair_kim.cpp
@@ -12,14 +12,45 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing authors: Ryan S. Elliott,
-                         Valeriu Smirichinski,
-                         Ellad Tadmor
+   Contributing authors: Ryan S. Elliott (UMinn)
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Designed for use with the openkim-api-v1.5.0 package and for use with
-   the kim-api-v1.6.0 (and newer) package
+   This program is free software; you can redistribute it and/or modify it
+   under the terms of the GNU General Public License as published by the Free
+   Software Foundation; either version 2 of the License, or (at your option)
+   any later version.
+
+   This program is distributed in the hope that it will be useful, but WITHOUT
+   ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+   FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for
+   more details.
+
+   You should have received a copy of the GNU General Public License along with
+   this program; if not, see <https://www.gnu.org/licenses>.
+
+   Linking LAMMPS statically or dynamically with other modules is making a
+   combined work based on LAMMPS. Thus, the terms and conditions of the GNU
+   General Public License cover the whole combination.
+
+   In addition, as a special exception, the copyright holders of LAMMPS give
+   you permission to combine LAMMPS with free software programs or libraries
+   that are released under the GNU LGPL and with code included in the standard
+   release of the "kim-api" under the CDDL (or modified versions of such code,
+   with unchanged license). You may copy and distribute such a system following
+   the terms of the GNU GPL for LAMMPS and the licenses of the other code
+   concerned, provided that you include the source code of that other code
+   when and as the GNU GPL requires distribution of source code.
+
+   Note that people who make modified versions of LAMMPS are not obligated to
+   grant this special exception for their modified versions; it is their choice
+   whether to do so. The GNU General Public License gives permission to release
+   a modified version without this exception; this exception also makes it
+   possible to release a modified version which carries forward this exception.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Designed for use with the kim-api-2.0.2 (and newer) package
 ------------------------------------------------------------------------- */
 
 #include <cstring>
@@ -38,17 +69,6 @@
 #include "domain.h"
 #include "error.h"
 
-// includes from KIM
-#include "KIM_API.h"
-#include "KIM_API_status.h"
-
-#ifndef KIM_API_VERSION_MAJOR
-// support v1.5.0
-#define KIM_API_VERSION_MAJOR 1
-#define KIM_API_VERSION_MINOR 5
-#define KIM_API_VERSION_PATCH 0
-#endif
-
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
@@ -57,44 +77,47 @@ PairKIM::PairKIM(LAMMPS *lmp) :
    Pair(lmp),
    settings_call_count(0),
    init_style_call_count(0),
-   kim_modelname(0),
-   lmps_map_species_to_unique(0),
-   lmps_unique_elements(0),
+   kim_modelname(NULL),
+   lmps_map_species_to_unique(NULL),
+   lmps_unique_elements(NULL),
    lmps_num_unique_elements(0),
    lmps_units(METAL),
-   pkim(0),
-   kim_ind_coordinates(-1),
-   kim_ind_numberOfParticles(-1),
-   kim_ind_numberContributingParticles(-1),
-   kim_ind_numberOfSpecies(-1),
-   kim_ind_particleSpecies(-1),
-   kim_ind_get_neigh(-1),
-   kim_ind_neighObject(-1),
-   kim_ind_cutoff(-1),
-   kim_ind_energy(-1),
-   kim_ind_particleEnergy(-1),
-   kim_ind_forces(-1),
-   kim_ind_virial(-1),
-   kim_ind_particleVirial(-1),
-   kim_particle_codes(0),
+   lengthUnit(KIM_LENGTH_UNIT_unused),
+   energyUnit(KIM_ENERGY_UNIT_unused),
+   chargeUnit(KIM_CHARGE_UNIT_unused),
+   temperatureUnit(KIM_TEMPERATURE_UNIT_unused),
+   timeUnit(KIM_TIME_UNIT_unused),
+   pkim(NULL),
+   pargs(NULL),
+   kim_model_support_for_energy(KIM_SUPPORT_STATUS_notSupported),
+   kim_model_support_for_forces(KIM_SUPPORT_STATUS_notSupported),
+   kim_model_support_for_particleEnergy(KIM_SUPPORT_STATUS_notSupported),
+   kim_model_support_for_particleVirial(KIM_SUPPORT_STATUS_notSupported),
    lmps_local_tot_num_atoms(0),
-   kim_global_cutoff(0.0),
+   kim_global_influence_distance(0.0),
+   kim_number_of_neighbor_lists(0),
+   kim_cutoff_values(NULL),
+   modelWillNotRequestNeighborsOfNoncontributingParticles(NULL),
+   neighborLists(NULL),
+   kim_particle_codes(NULL),
    lmps_maxalloc(0),
-   kim_particleSpecies(0),
-   lmps_force_tmp(0),
-   lmps_stripped_neigh_list(0),
-   kim_iterator_position(0),
-   Rij(0)
+   kim_particleSpecies(NULL),
+   kim_particleContributing(NULL),
+   lmps_stripped_neigh_list(NULL),
+   lmps_stripped_neigh_ptr(NULL)
 {
    // Initialize Pair data members to appropriate values
    single_enable = 0;  // We do not provide the Single() function
    restartinfo = 0;    // We do not write any restart info
    one_coeff = 1;      // We only allow one coeff * * call
+   // set to 1, regardless use of fdotr, to avoid ev_set()'s futzing with
+   // vflag_global
+   no_virial_fdotr_compute = 1;
 
    // BEGIN: initial values that determine the KIM state
    // (used by kim_free(), etc.)
-   kim_model_init_ok = false;
    kim_init_ok = false;
+   kim_particle_codes_ok = false;
    // END
 
    return;
@@ -113,10 +136,23 @@ PairKIM::~PairKIM()
         delete [] lmps_unique_elements[i];
    delete [] lmps_unique_elements;
 
+   if (kim_particle_codes_ok)
+   {
+      delete [] kim_particle_codes;
+      kim_particle_codes = NULL;
+      kim_particle_codes_ok = false;
+   }
+
    // clean up local memory used to support KIM interface
    memory->destroy(kim_particleSpecies);
-   memory->destroy(lmps_force_tmp);
+   memory->destroy(kim_particleContributing);
    memory->destroy(lmps_stripped_neigh_list);
+   // clean up lmps_stripped_neigh_ptr
+   if (lmps_stripped_neigh_ptr)
+   {
+     delete [] lmps_stripped_neigh_ptr;
+     lmps_stripped_neigh_ptr = 0;
+   }
 
    // clean up allocated memory for standard Pair class usage
    // also, we allocate lmps_map_species_to_uniuqe in the allocate() function
@@ -126,8 +162,12 @@ PairKIM::~PairKIM()
       delete [] lmps_map_species_to_unique;
    }
 
-   // clean up Rij array
-   memory->destroy(Rij);
+   // clean up neighborlist pointers
+   if (neighborLists)
+   {
+     delete [] neighborLists;
+     neighborLists = 0;
+   }
 
    // clean up KIM interface (if necessary)
    kim_free();
@@ -135,30 +175,47 @@ PairKIM::~PairKIM()
    return;
 }
 
+/* ---------------------------------------------------------------------- */
+void PairKIM::set_contributing()
+{
+  int const nall = atom->nlocal + atom->nghost;
+  for (int i = 0; i < nall; ++i)
+  {
+    kim_particleContributing[i] = ( (i < atom->nlocal) ? 1 : 0 );
+  }
+}
+
 /* ---------------------------------------------------------------------- */
 
 void PairKIM::compute(int eflag , int vflag)
 {
-   int kimerror;
+   ev_init(eflag,vflag);
 
-   if (eflag || vflag)
-      ev_setup(eflag,vflag);
-   else
-      ev_unset();
-
-   // grow kim_particleSpecies array if necessary
+   // grow kim_particleSpecies and kim_particleContributing array if necessary
    // needs to be atom->nmax in length
    if (atom->nmax > lmps_maxalloc) {
       memory->destroy(kim_particleSpecies);
-      memory->destroy(lmps_force_tmp);
+      memory->destroy(kim_particleContributing);
 
       lmps_maxalloc = atom->nmax;
-      memory->create(kim_particleSpecies,lmps_maxalloc,"pair:kim_particleSpecies");
-      memory->create(lmps_force_tmp,lmps_maxalloc,3,"pair:lmps_force_tmp");
+      memory->create(kim_particleSpecies,lmps_maxalloc,
+                     "pair:kim_particleSpecies");
+      int kimerror = KIM_ComputeArguments_SetArgumentPointerInteger(pargs,
+          KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes,
+          kim_particleSpecies);
+      memory->create(kim_particleContributing,lmps_maxalloc,
+                     "pair:kim_particleContributing");
+      kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerInteger(
+          pargs,
+          KIM_COMPUTE_ARGUMENT_NAME_particleContributing,
+          kim_particleContributing);
+      if (kimerror)
+        error->all(
+            FLERR,
+            "Unable to set KIM particle species codes and/or contributing");
    }
 
    // kim_particleSpecies = KIM atom species for each LAMMPS atom
-   // set ielement to valid 0 if lmps_map_species_to_unique[] stores an un-used -1
 
    int *species = atom->type;
    int nall = atom->nlocal + atom->nghost;
@@ -166,57 +223,38 @@ void PairKIM::compute(int eflag , int vflag)
 
    for (int i = 0; i < nall; i++) {
       ielement = lmps_map_species_to_unique[species[i]];
-      ielement = MAX(ielement,0);
-      // @@ this (above line) provides bogus info
-      // @@ (when lmps_map_species_to_unique[species[i]]==-1) to KIM, but
-      // @@ I guess this only happens when lmps_hybrid==true,
-      // @@ and we are sure that iterator mode will
-      // @@ not use these atoms.... (?)
       kim_particleSpecies[i] = kim_particle_codes[ielement];
    }
 
+   // Set kim contributing flags
+   set_contributing();
+
    // pass current atom pointers to KIM
-   set_volatiles();
+   set_argument_pointers();
 
-   pkim->setm_compute_by_index(&kimerror,3*3,
-                               kim_ind_particleEnergy, eflag_atom,
-                                (int) kim_model_has_particleEnergy,
-                               kim_ind_particleVirial, vflag_atom,
-                                (int) kim_model_has_particleVirial,
-                               kim_ind_virial, vflag_global!=0,
-                                no_virial_fdotr_compute);
-   kim_error(__LINE__,"setm_compute_by_index",kimerror);
+   // set number of particles
+   lmps_local_tot_num_atoms = (int) nall;
 
    // compute via KIM model
-   kimerror = pkim->model_compute();
-   kim_error(__LINE__,"PairKIM::pkim->model_compute() error",kimerror);
-   // assemble force and particleVirial if needed
-   if (!lmps_using_newton) comm->reverse_comm_pair(this);
-
-   // sum lmps_force_tmp to f if running in hybrid mode
-   if (lmps_hybrid) {
-      double **f = atom->f;
-      for (int i = 0; i < nall; i++) {
-         f[i][0] += lmps_force_tmp[i][0];
-         f[i][1] += lmps_force_tmp[i][1];
-         f[i][2] += lmps_force_tmp[i][2];
-      }
-   }
+   int kimerror = KIM_Model_Compute(pkim, pargs);
+   if (kimerror) error->all(FLERR,"KIM Compute returned error");
 
-   if ((no_virial_fdotr_compute == 1) && (vflag_global))
-   {  // flip sign and order of virial if KIM is computing it
-      for (int i = 0; i < 3; ++i) virial[i] = -1.0*virial[i];
-      double tmp = virial[3];
-      virial[3] = -virial[5];
-      virial[4] = -virial[4];
-      virial[5] = -tmp;
+   // compute virial before reverse comm!
+   if (vflag_global)
+   {
+     virial_fdotr_compute();
    }
-   else
-   {  // compute virial via LAMMPS fdotr mechanism
-      if (vflag_fdotr) virial_fdotr_compute();
+
+   // if newton is off, perform reverse comm
+   if (!lmps_using_newton)
+   {
+     comm->reverse_comm_pair(this);
    }
 
-   if ((kim_model_has_particleVirial) && (vflag_atom))
+   if ((vflag_atom) &&
+       KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                  KIM_SUPPORT_STATUS_notSupported)
+      )
    {  // flip sign and order of virial if KIM is computing it
       double tmp;
       for (int i = 0; i < nall; ++i)
@@ -267,10 +305,20 @@ void PairKIM::settings(int narg, char **arg)
    ++settings_call_count;
    init_style_call_count = 0;
 
-   if (narg < 2) error->all(FLERR,"Illegal pair_style command");
-   // arg[0] is the virial handling option: "LAMMPSvirial" or "KIMvirial"
-   // arg[1] is the KIM Model name
-   // arg[2] is the print-kim-file flag: 0/1 do-not/do print (default 0)
+   if (narg != 1)
+   {
+     if ((narg > 0) && ((0 == strcmp("KIMvirial", arg[0])) ||
+                        (0 == strcmp("LAMMPSvirial", arg[0]))))
+     {
+       error->all(FLERR,"'KIMvirial' or 'LAMMPSvirial' not supported with "
+                  "kim-api.");
+     }
+     else
+       error->all(FLERR,"Illegal pair_style command");
+   }
+   // arg[0] is the KIM Model name
+
+   lmps_using_molecular = (atom->molecular > 0);
 
    // ensure we are in a clean state for KIM (needed on repeated call)
    // first time called will do nothing...
@@ -288,39 +336,18 @@ void PairKIM::settings(int narg, char **arg)
     // set lmps_* bool flags
    set_lmps_flags();
 
-   // set virial handling
-   if (strcmp(arg[0],"LAMMPSvirial") == 0)
-   {
-      no_virial_fdotr_compute = 0;
-   }
-   else if (strcmp(arg[0],"KIMvirial") == 0)
-   {
-      no_virial_fdotr_compute = 1;
-   }
-   else
-   {
-      error->all(FLERR,"Unrecognized virial argument in pair_style command");
-   }
-
    // set KIM Model name
-   int nmlen = strlen(arg[1]);
+   int nmlen = strlen(arg[0]);
    if (kim_modelname != 0)
    {
       delete [] kim_modelname;
       kim_modelname = 0;
    }
    kim_modelname = new char[nmlen+1];
-   strcpy(kim_modelname, arg[1]);
+   strcpy(kim_modelname, arg[0]);
 
-   // set print_kim_file
-   if ((2 == narg) || ('0' == *(arg[2])))
-   {
-     print_kim_file = false;
-   }
-   else
-   {
-     print_kim_file = true;
-   }
+   // initialize KIM Model
+   kim_init();
 
    return;
 }
@@ -341,13 +368,19 @@ void PairKIM::coeff(int narg, char **arg)
    if (narg != 2 + atom->ntypes)
       error->all(FLERR,"Incorrect args for pair coefficients");
 
+   // insure I,J args are * *
+
+   if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+     error->all(FLERR,"Incorrect args for pair coefficients");
+
+
    int ilo,ihi,jlo,jhi;
    force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
    force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
 
    // read args that map atom species to KIM elements
    // lmps_map_species_to_unique[i] =
-   // which element the Ith atom type is, -1 if NULL
+   // which element the Ith atom type is
    // lmps_num_unique_elements = # of unique elements
    // lmps_unique_elements = list of element names
 
@@ -360,23 +393,20 @@ void PairKIM::coeff(int narg, char **arg)
    lmps_unique_elements = new char*[atom->ntypes];
    for (i = 0; i < atom->ntypes; i++) lmps_unique_elements[i] = 0;
 
+
+   // Assume all species arguments are valid
+   // errors will be detected by below
    lmps_num_unique_elements = 0;
    for (i = 2; i < narg; i++) {
-      if (strcmp(arg[i],"NULL") == 0) {
-         if (!lmps_hybrid)
-           error->all(FLERR,"Invalid args for non-hybrid pair coefficients");
-         lmps_map_species_to_unique[i-1] = -1;
-         continue;
-      }
-      for (j = 0; j < lmps_num_unique_elements; j++)
-         if (strcmp(arg[i],lmps_unique_elements[j]) == 0) break;
-      lmps_map_species_to_unique[i-1] = j;
-      if (j == lmps_num_unique_elements) {
-         n = strlen(arg[i]) + 1;
-         lmps_unique_elements[j] = new char[n];
-         strcpy(lmps_unique_elements[j],arg[i]);
-         lmps_num_unique_elements++;
-      }
+     for (j = 0; j < lmps_num_unique_elements; j++)
+       if (strcmp(arg[i],lmps_unique_elements[j]) == 0) break;
+     lmps_map_species_to_unique[i-1] = j;
+     if (j == lmps_num_unique_elements) {
+       n = strlen(arg[i]) + 1;
+       lmps_unique_elements[j] = new char[n];
+       strcpy(lmps_unique_elements[j],arg[i]);
+       lmps_num_unique_elements++;
+     }
    }
 
    int count = 0;
@@ -392,6 +422,34 @@ void PairKIM::coeff(int narg, char **arg)
 
    if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 
+   // setup mapping between LAMMPS unique elements and KIM species codes
+   if (kim_particle_codes_ok)
+   {
+     delete [] kim_particle_codes;
+     kim_particle_codes = NULL;
+     kim_particle_codes_ok = false;
+   }
+   kim_particle_codes = new int[lmps_num_unique_elements];
+   kim_particle_codes_ok = true;
+   for(int i = 0; i < lmps_num_unique_elements; i++){
+      int supported;
+      int code;
+      KIM_Model_GetSpeciesSupportAndCode(
+          pkim,
+          KIM_SpeciesName_FromString(lmps_unique_elements[i]),
+          &supported,
+          &code);
+      if (supported)
+        kim_particle_codes[i] = code;
+      else
+      {
+        std::stringstream msg;
+        msg << "create_kim_particle_codes: symbol not found: "
+            << lmps_unique_elements[i];
+        error->all(FLERR, msg.str().c_str());
+      }
+   }
+
    return;
 }
 
@@ -407,59 +465,63 @@ void PairKIM::init_style()
    if (domain->dimension != 3)
       error->all(FLERR,"PairKIM only works with 3D problems");
 
-   int kimerror;
-   // KIM and Model initialization (only once)
-   // also sets kim_ind_* and kim_* bool flags
-   if (!kim_init_ok)
-   {
-      kim_init();
-      kimerror = pkim->model_init();
-      if (kimerror != KIM_STATUS_OK)
-         kim_error(__LINE__, "KIM API:model_init() failed", kimerror);
-      else
+   // setup lmps_stripped_neigh_list for neighbors of one atom, if needed
+   if (lmps_using_molecular) {
+      memory->destroy(lmps_stripped_neigh_list);
+      memory->create(lmps_stripped_neigh_list,
+                     kim_number_of_neighbor_lists*neighbor->oneatom,
+                     "pair:lmps_stripped_neigh_list");
+      delete [] lmps_stripped_neigh_ptr;
+      lmps_stripped_neigh_ptr = new int*[kim_number_of_neighbor_lists];
+      for (int i = 0; i < kim_number_of_neighbor_lists; ++i)
       {
-         kim_model_init_ok = true;
-
-         // allocate enough memory to ensure we are safe
-         // (by using neighbor->oneatom)
-         if (kim_model_using_Rij)
-           memory->create(Rij,3*(neighbor->oneatom),"pair:Rij");
+        lmps_stripped_neigh_ptr[i]
+            = &(lmps_stripped_neigh_list[i*(neighbor->oneatom)]);
       }
+
    }
 
-   // request none, half, or full neighbor list
-   // depending on KIM model requirement
+   // make sure comm_reverse expects (at most) 9 values when newton is off
+   if (!lmps_using_newton) comm_reverse_off = 9;
 
-   int irequest = neighbor->request(this,instance_me);
-   if (kim_model_using_cluster)
-   {
-      neighbor->requests[irequest]->half = 0;
-      neighbor->requests[irequest]->full = 0;
-   }
-   else
+   // request full neighbor
+   for (int i = 0; i < kim_number_of_neighbor_lists; ++i)
    {
-      // make sure comm_reverse expects (at most) 9 values when newton is off
-      if (!lmps_using_newton) comm_reverse_off = 9;
+     int irequest = neighbor->request(this,instance_me);
+     neighbor->requests[irequest]->id = i;
+     neighbor->requests[irequest]->half = 0;
+     neighbor->requests[irequest]->full = 1;
 
-      if (kim_model_using_half)
-      {
-         neighbor->requests[irequest]->half = 1;
-         neighbor->requests[irequest]->full = 0;
-         // make sure half lists also include local-ghost pairs
-         if (lmps_using_newton) neighbor->requests[irequest]->newton = 2;
-      }
-      else
-      {
-         neighbor->requests[irequest]->half = 0;
-         neighbor->requests[irequest]->full = 1;
-         // make sure full lists also include local-ghost pairs
-         if (lmps_using_newton) neighbor->requests[irequest]->newton = 0;
-      }
+     if (modelWillNotRequestNeighborsOfNoncontributingParticles[i])
+     {
+       neighbor->requests[irequest]->ghost = 0;
+     }
+     else
+     {
+       neighbor->requests[irequest]->ghost = 1;
+
+     }
+     // always want all owned/ghost pairs
+     neighbor->requests[irequest]->newton = 2;
+     // set cutoff
+     neighbor->requests[irequest]->cut = 1;
+     neighbor->requests[irequest]->cutoff
+         = kim_cutoff_values[i] + neighbor->skin;
    }
 
    return;
 }
 
+/* ----------------------------------------------------------------------
+   neighbor callback to inform pair style of neighbor list to use
+   half or full
+------------------------------------------------------------------------- */
+
+void PairKIM::init_list(int id, NeighList *ptr)
+{
+  neighborLists[id] = ptr;
+}
+
 /* ----------------------------------------------------------------------
    init for one type pair i,j and corresponding j,i
 ------------------------------------------------------------------------- */
@@ -471,22 +533,7 @@ double PairKIM::init_one(int i, int j)
 
    if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
 
-   return kim_global_cutoff;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairKIM::reinit()
-{
-  // This is called by fix-adapt
-
-  // Call parent class implementation
-  Pair::reinit();
-
-  // Then reinit KIM model
-  int kimerror;
-  kimerror = pkim->model_reinit();
-  kim_error(__LINE__,"model_reinit unsuccessful", kimerror);
+   return kim_global_influence_distance;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -495,13 +542,16 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
 {
    int i,m,last;
    double *fp;
-   if (lmps_hybrid) fp = &(lmps_force_tmp[0][0]);
-   else fp = &(atom->f[0][0]);
+   fp = &(atom->f[0][0]);
 
    m = 0;
    last = first + n;
-   if ((kim_model_has_forces) && ((vflag_atom == 0) ||
-                                  (!kim_model_has_particleVirial)))
+   if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
+                                  KIM_SUPPORT_STATUS_notSupported)
+       &&
+       ((vflag_atom == 0) ||
+        KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
+                                KIM_SUPPORT_STATUS_notSupported)))
    {
       for (i = first; i < last; i++)
       {
@@ -511,8 +561,11 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
       }
       return m;
    }
-   else if ((kim_model_has_forces) && (vflag_atom == 1) &&
-            (kim_model_has_particleVirial))
+   else if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
+                                       KIM_SUPPORT_STATUS_notSupported) &&
+            (vflag_atom == 1) &&
+            KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                       KIM_SUPPORT_STATUS_notSupported))
    {
       double *va=&(vatom[0][0]);
       for (i = first; i < last; i++)
@@ -530,8 +583,12 @@ int PairKIM::pack_reverse_comm(int n, int first, double *buf)
       }
       return m;
    }
-   else if ((!kim_model_has_forces) && (vflag_atom == 1) &&
-            (kim_model_has_particleVirial))
+   else if (KIM_SupportStatus_Equal(kim_model_support_for_forces,
+                                    KIM_SUPPORT_STATUS_notSupported)
+            &&
+            (vflag_atom == 1) &&
+            KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                       KIM_SUPPORT_STATUS_notSupported))
    {
       double *va=&(vatom[0][0]);
       for (i = first; i < last; i++)
@@ -555,12 +612,15 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
 {
    int i,j,m;
    double *fp;
-   if (lmps_hybrid) fp = &(lmps_force_tmp[0][0]);
-   else fp = &(atom->f[0][0]);
+   fp = &(atom->f[0][0]);
 
    m = 0;
-   if ((kim_model_has_forces) && ((vflag_atom == 0) ||
-                                  (!kim_model_has_particleVirial)))
+   if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
+                                  KIM_SUPPORT_STATUS_notSupported)
+       &&
+       ((vflag_atom == 0) ||
+        KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
+                                KIM_SUPPORT_STATUS_notSupported)))
    {
       for (i = 0; i < n; i++)
       {
@@ -570,8 +630,12 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
          fp[3*j+2]+= buf[m++];
       }
    }
-   else if ((kim_model_has_forces) && (vflag_atom == 1) &&
-            (kim_model_has_particleVirial))
+   else if (KIM_SupportStatus_NotEqual(kim_model_support_for_forces,
+                                       KIM_SUPPORT_STATUS_notSupported)
+            &&
+            (vflag_atom == 1) &&
+            KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                       KIM_SUPPORT_STATUS_notSupported))
    {
       double *va=&(vatom[0][0]);
       for (i = 0; i < n; i++)
@@ -589,8 +653,12 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
          va[j*6+5]+=buf[m++];
       }
    }
-   else if ((!kim_model_has_forces) && (vflag_atom == 1) &&
-            (kim_model_has_particleVirial))
+   else if (KIM_SupportStatus_Equal(kim_model_support_for_forces,
+                                    KIM_SUPPORT_STATUS_notSupported)
+            &&
+            (vflag_atom == 1) &&
+            KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                       KIM_SUPPORT_STATUS_notSupported))
    {
       double *va=&(vatom[0][0]);
       for (i = 0; i < n; i++)
@@ -603,9 +671,9 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
          va[j*6+4]+=buf[m++];
          va[j*6+5]+=buf[m++];
       }
+   } else {
+     ; // do nothing
    }
-   else
-      ;// do nothing
 
    return;
 }
@@ -616,7 +684,7 @@ void PairKIM::unpack_reverse_comm(int n, int *list, double *buf)
 
 double PairKIM::memory_usage()
 {
-   double bytes = lmps_maxalloc * sizeof(int);
+   double bytes = 2 * lmps_maxalloc * sizeof(int);
    return bytes;
 }
 
@@ -624,172 +692,65 @@ double PairKIM::memory_usage()
    KIM-specific interface
 ------------------------------------------------------------------------- */
 
-void PairKIM::kim_error(int ln, const char* msg, int errcode)
+int PairKIM::get_neigh(void const * const dataObject,
+                       int const numberOfNeighborLists,
+                       double const * const cutoffs,
+                       int const neighborListIndex, int const particleNumber,
+                       int * const numberOfNeighbors,
+                       int const ** const neighborsOfParticle)
 {
-   if (errcode == KIM_STATUS_OK) return;
-   KIM_API_model::report_error(ln,(char *) __FILE__, (char *) msg,errcode);
-   error->all(__FILE__,ln,"Internal KIM error");
-
-   return;
-}
-
-/* ---------------------------------------------------------------------- */
-
-int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
-                       int *atom, int *numnei, int **nei1atom, double **pRij)
-{
-   KIM_API_model *pkim = (KIM_API_model *) *kimmdl;
-
-   int kimerror;
-   PairKIM *self = (PairKIM *) pkim->get_sim_buffer(&kimerror);
+   PairKIM const * const Model
+       = reinterpret_cast<PairKIM const * const>(dataObject);
 
-   if (self->kim_model_using_Rij) {
-      *pRij = &(self->Rij[0]);
-   } else {
-      *pRij = 0;
+   if (numberOfNeighborLists != Model->kim_number_of_neighbor_lists)
+     return true;
+   for (int i = 0; i < numberOfNeighborLists; ++i)
+   {
+     if (Model->kim_cutoff_values[i] < cutoffs[i]) return true;
    }
 
+   // neighborListIndex and particleNumber are validated by KIM API
 
-   // subvert KIM api by using direct access to self->list
-   //
-   // get neighObj from KIM API obj
-   // NeighList * neiobj = (NeighList * )
-   // (*pkim).get_data_by_index(self->kim_ind_neighObject, &kimerror);
-   NeighList * neiobj = self->list;
+   // initialize numNeigh
+   *numberOfNeighbors = 0;
 
-   // subvert KIM api by using direct acces to self->lmps_local_tot_num_atoms
-   //
-   //int * pnAtoms = (int *)
-   // (*pkim).get_data_by_index(self->kim_ind_numberOfParticles, &kimerror);
-   //int nAtoms = *pnAtoms;
-   int nAtoms = self->lmps_local_tot_num_atoms;
+   NeighList * neiobj = Model->neighborLists[neighborListIndex];
 
-   int j, jj, inum, *ilist, *numneigh, **firstneigh;
-   inum = neiobj->inum;             //# of I atoms neighbors are stored for
-   ilist = neiobj->ilist;           //local indices of I atoms
+   int *numneigh, **firstneigh;
    numneigh = neiobj->numneigh;     // # of J neighbors for each I atom
    firstneigh = neiobj->firstneigh; // ptr to 1st J int value of each I atom
 
-   if (*mode==0){ //iterator mode
-      if (*request==1) { //increment iterator
-         if (self->kim_iterator_position < inum) {
-            *atom = ilist[self->kim_iterator_position];
-            *numnei = numneigh[*atom];
-
-            // strip off neighbor mask for molecular systems
-            if (!self->lmps_using_molecular)
-               *nei1atom = firstneigh[*atom];
-            else
-            {
-               int n = *numnei;
-               int *ptr = firstneigh[*atom];
-               int *lmps_stripped_neigh_list = self->lmps_stripped_neigh_list;
-               for (int i = 0; i < n; i++)
-                  lmps_stripped_neigh_list[i] = *(ptr++) & NEIGHMASK;
-               *nei1atom = lmps_stripped_neigh_list;
-            }
-
-            // set Rij if needed
-            if (self->kim_model_using_Rij) {
-               double* x = (double *)
-                 (*pkim).get_data_by_index(self->kim_ind_coordinates,
-                                           &kimerror);
-               for (jj=0; jj < *numnei; jj++) {
-                  int i = *atom;
-                  j = (*nei1atom)[jj];
-                  self->Rij[jj*3 +0] = -x[i*3+0] + x[j*3+0];
-                  self->Rij[jj*3 +1] = -x[i*3+1] + x[j*3+1];
-                  self->Rij[jj*3 +2] = -x[i*3+2] + x[j*3+2];
-               }
-            }
-
-            // increment iterator
-            self->kim_iterator_position++;
-
-            return KIM_STATUS_OK; //successful increment
-         } else if (self->kim_iterator_position == inum) {
-            *numnei = 0;
-            return KIM_STATUS_NEIGH_ITER_PAST_END; //reached end by iterator
-         } else if (self->kim_iterator_position > inum || inum < 0){
-            self->error->one(FLERR, "KIM neighbor iterator exceeded range");
-         }
-      } else if (*request == 0){ //restart iterator
-         self->kim_iterator_position = 0;
-         *numnei = 0;
-         return KIM_STATUS_NEIGH_ITER_INIT_OK; //succsesful restart
-      }
-   } else if (*mode == 1){//locator mode
-      //...
-      if (*request < inum) {
-         *atom = *request;
-         *numnei = numneigh[*atom];
-
-         // strip off neighbor mask for molecular systems
-         if (!self->lmps_using_molecular)
-            *nei1atom = firstneigh[*atom];
-         else
-         {
-            int n = *numnei;
-            int *ptr = firstneigh[*atom];
-            int *lmps_stripped_neigh_list = self->lmps_stripped_neigh_list;
-            for (int i = 0; i < n; i++)
-               lmps_stripped_neigh_list[i] = *(ptr++) & NEIGHMASK;
-            *nei1atom = lmps_stripped_neigh_list;
-         }
-
-         // set Rij if needed
-         if (self->kim_model_using_Rij){
-            double* x = (double *)
-              (*pkim).get_data_by_index(self->kim_ind_coordinates, &kimerror);
-            for(int jj=0; jj < *numnei; jj++){
-               int i = *atom;
-               int j = (*nei1atom)[jj];
-               self->Rij[jj*3 +0] = -x[i*3+0] + x[j*3+0];
-               self->Rij[jj*3 +1] = -x[i*3+1] + x[j*3+1];
-               self->Rij[jj*3 +2] = -x[i*3+2] + x[j*3+2];
-            }
-         }
-         return KIM_STATUS_OK; //successful end
-      }
-      else if (*request >= nAtoms || inum < 0)
-         return KIM_STATUS_NEIGH_INVALID_REQUEST;
-      else if (*request >= inum) {
-         *atom = *request;
-         *numnei = 0;
-         return KIM_STATUS_OK; //successfull but no neighbors in the list
-      }
-   } else return KIM_STATUS_NEIGH_INVALID_MODE; //invalid mode
+   *numberOfNeighbors = numneigh[particleNumber];
 
-   return -16; //should not get here: unspecified error
+   // strip off neighbor mask for molecular systems
+   if (!Model->lmps_using_molecular)
+     *neighborsOfParticle = firstneigh[particleNumber];
+   else
+   {
+     int n = *numberOfNeighbors;
+     int *ptr = firstneigh[particleNumber];
+     int *lmps_stripped_neigh_list
+         = Model->lmps_stripped_neigh_ptr[neighborListIndex];
+     for (int i = 0; i < n; i++)
+       lmps_stripped_neigh_list[i] = *(ptr++) & NEIGHMASK;
+     *neighborsOfParticle = lmps_stripped_neigh_list;
+   }
+   return false;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void PairKIM::kim_free()
 {
-   int kimerror;
-
-   if (kim_model_init_ok)
-   {
-      kimerror = pkim->model_destroy();
-      kim_model_init_ok = false;
-   }
    if (kim_init_ok)
    {
-      pkim->free(&kimerror);
-      kim_init_ok = false;
-   }
-   if (pkim != 0)
-   {
-      delete pkim;
-      pkim = 0;
-   }
-   if (kim_particle_codes_ok)
-   {
-      delete [] kim_particle_codes;
-      kim_particle_codes = 0;
-      kim_particle_codes_ok = false;
+     int kimerror = KIM_Model_ComputeArgumentsDestroy(pkim, &pargs);
+     if (kimerror)
+       error->all(FLERR,"Unable to destroy Compute Arguments Object");
+
+     KIM_Model_Destroy(&pkim);
    }
+   kim_init_ok = false;
 
    return;
 }
@@ -800,182 +761,165 @@ void PairKIM::kim_init()
 {
    int kimerror;
 
-   //
-
-   // determine KIM Model capabilities (used in this function below)
-   set_kim_model_has_flags();
-
-   // create appropriate KIM descriptor file
-   char* test_descriptor_string = 0;
-   // allocate memory for test_descriptor_string and write descriptor file
-   write_descriptor(&test_descriptor_string);
-   // print descriptor
-   if (print_kim_file)
-   {
-      error->message(FLERR, test_descriptor_string);
-   }
-
    // initialize KIM model
-   pkim = new KIM_API_model();
-   kimerror = pkim->string_init(test_descriptor_string, kim_modelname);
-   if (kimerror != KIM_STATUS_OK)
-      kim_error(__LINE__,"KIM initialization failed", kimerror);
-   else
-   {
-      kim_init_ok = true;
-      delete [] test_descriptor_string;
-      test_descriptor_string = 0;
-   }
+   int requestedUnitsAccepted;
+   kimerror = KIM_Model_Create(
+       KIM_NUMBERING_zeroBased,
+       lengthUnit, energyUnit, chargeUnit, temperatureUnit, timeUnit,
+       kim_modelname,
+       &requestedUnitsAccepted,
+       &pkim);
+   if (kimerror)
+     error->all(FLERR,"KIM ModelCreate failed");
+   else {
+     if (!requestedUnitsAccepted) {
+       error->all(FLERR,"KIM Model did not accept the requested unit system");
+     }
 
-   // determine kim_model_using_* true/false values
-   //
-   // check for half or full list
-   kim_model_using_half = (pkim->is_half_neighbors(&kimerror));
-   //
-   const char* NBC_method;
-   kimerror = pkim->get_NBC_method(&NBC_method);
-   kim_error(__LINE__,"NBC method not set",kimerror);
-   // check for CLUSTER mode
-   kim_model_using_cluster = (strcmp(NBC_method,"CLUSTER")==0);
-   // check if Rij needed for get_neigh
-   kim_model_using_Rij = ((strcmp(NBC_method,"NEIGH_RVEC_H")==0) ||
-                          (strcmp(NBC_method,"NEIGH_RVEC_F")==0));
-
-   // get correct index of each variable in kim_api object
-   pkim->getm_index(&kimerror, 3*13,
-    "coordinates", &kim_ind_coordinates, 1,
-    "cutoff", &kim_ind_cutoff, 1,
-    "numberOfParticles", &kim_ind_numberOfParticles, 1,
-#if KIM_API_VERSION_MAJOR == 1 && KIM_API_VERSON_MINOR == 5
-    "numberParticleTypes", &kim_ind_numberOfSpecies, 1,
-    "particleTypes", &kim_ind_particleSpecies, 1,
-#else
-    "numberOfSpecies", &kim_ind_numberOfSpecies, 1,
-    "particleSpecies", &kim_ind_particleSpecies, 1,
-#endif
-    "numberContributingParticles", &kim_ind_numberContributingParticles,
-                                   kim_model_using_half,
-    "particleEnergy", &kim_ind_particleEnergy,
-                      (int) kim_model_has_particleEnergy,
-    "energy", &kim_ind_energy, (int) kim_model_has_energy,
-    "forces", &kim_ind_forces, (int) kim_model_has_forces,
-    "neighObject", &kim_ind_neighObject, (int) !kim_model_using_cluster,
-    "get_neigh", &kim_ind_get_neigh, (int) !kim_model_using_cluster,
-    "particleVirial", &kim_ind_particleVirial,
-                      (int) kim_model_has_particleVirial,
-    "virial", &kim_ind_virial, no_virial_fdotr_compute);
-   kim_error(__LINE__,"getm_index",kimerror);
+     // check that the model does not require unknown capabilities
+     kimerror = check_for_routine_compatibility();
+     if (kimerror)
+     {
+       error->all(FLERR,
+                  "KIM Model requires unknown Routines.  Unable to proceed.");
+     }
 
-   // setup mapping between LAMMPS unique elements and KIM species codes
-   kim_particle_codes = new int[lmps_num_unique_elements];
-   kim_particle_codes_ok = true;
-   for(int i = 0; i < lmps_num_unique_elements; i++){
-      int kimerror;
-      kim_particle_codes[i]
-         = pkim->get_species_code(lmps_unique_elements[i], &kimerror);
-      kim_error(__LINE__, "create_kim_particle_codes: symbol not found ",
-                kimerror);
+     kimerror = KIM_Model_ComputeArgumentsCreate(pkim, &pargs);
+     if (kimerror)
+     {
+       KIM_Model_Destroy(&pkim);
+       error->all(FLERR,"KIM ComputeArgumentsCreate failed");
+     }
+     else
+     {
+       kim_init_ok = true;
+     }
    }
 
-   // set pointer values in KIM API object that will not change during run
-   set_statics();
-
-   return;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairKIM::set_statics()
-{
-   // set total number of atoms
-   lmps_local_tot_num_atoms = (int) (atom->nghost + atom->nlocal);
+   // determine KIM Model capabilities (used in this function below)
+   set_kim_model_has_flags();
 
-   int kimerror;
-   pkim->setm_data_by_index(&kimerror, 4*6,
-    kim_ind_numberOfSpecies, 1, (void *) &(atom->ntypes), 1,
-    kim_ind_cutoff, 1, (void *) &(kim_global_cutoff), 1,
-    kim_ind_numberOfParticles, 1, (void *) &lmps_local_tot_num_atoms,  1,
-    kim_ind_numberContributingParticles, 1, (void *) &(atom->nlocal),
-                                         (int) kim_model_using_half,
-    kim_ind_energy, 1, (void *) &(eng_vdwl), (int) kim_model_has_energy,
-    kim_ind_virial, 1, (void *) &(virial[0]), no_virial_fdotr_compute);
-   kim_error(__LINE__, "setm_data_by_index", kimerror);
-   if (!kim_model_using_cluster)
+   KIM_Model_GetInfluenceDistance(pkim, &kim_global_influence_distance);
+   KIM_Model_GetNeighborListPointers(
+       pkim,
+       &kim_number_of_neighbor_lists,
+       &kim_cutoff_values,
+       &modelWillNotRequestNeighborsOfNoncontributingParticles);
+   if (neighborLists)
    {
-      kimerror = pkim->set_method_by_index(kim_ind_get_neigh, 1,
-                                           (func_ptr) &get_neigh);
-      kim_error(__LINE__, "set_method_by_index", kimerror);
+     delete [] neighborLists;
+     neighborLists = 0;
    }
-
-   pkim->set_sim_buffer((void *)this, &kimerror);
-   kim_error(__LINE__, "set_sim_buffer", kimerror);
+   neighborLists = new NeighList*[kim_number_of_neighbor_lists];
+
+   kimerror = KIM_ComputeArguments_SetArgumentPointerInteger(pargs,
+       KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles,
+       &lmps_local_tot_num_atoms);
+   if (KIM_SupportStatus_NotEqual(kim_model_support_for_energy,
+                                  KIM_SUPPORT_STATUS_notSupported))
+     kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(pargs,
+         KIM_COMPUTE_ARGUMENT_NAME_partialEnergy,
+         &(eng_vdwl));
+
+   kimerror = KIM_ComputeArguments_SetCallbackPointer(pargs,
+       KIM_COMPUTE_CALLBACK_NAME_GetNeighborList,
+       KIM_LANGUAGE_NAME_cpp,
+       reinterpret_cast<KIM_Function *>(get_neigh),
+       reinterpret_cast<void *>(this));
+
+   if (kimerror)
+     error->all(FLERR,"Unable to register KIM pointers");
 
    return;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairKIM::set_volatiles()
+void PairKIM::set_argument_pointers()
 {
-   int kimerror;
-   lmps_local_tot_num_atoms = (int) (atom->nghost + atom->nlocal);
-   intptr_t nall = (intptr_t) lmps_local_tot_num_atoms;
-
-   pkim->setm_data_by_index(&kimerror, 4*2,
-    kim_ind_coordinates, 3*nall, (void*) &(atom->x[0][0]), 1,
-    kim_ind_particleSpecies, nall, (void*) kim_particleSpecies, 1);
-   kim_error(__LINE__, "setm_data_by_index", kimerror);
-
-   if (kim_model_has_particleEnergy && (eflag_atom == 1))
-   {
-      kimerror = pkim->set_data_by_index(kim_ind_particleEnergy, nall,
-                                         (void*) eatom);
-      kim_error(__LINE__, "set_data_by_index", kimerror);
-   }
-
-   if (kim_model_has_particleVirial && (vflag_atom == 1))
-   {
-      kimerror = pkim->set_data_by_index(kim_ind_particleVirial, 6*nall,
-                                         (void*) &(vatom[0][0]));
-      kim_error(__LINE__, "set_data_by_index", kimerror);
-   }
+  int kimerror;
+  kimerror = KIM_ComputeArguments_SetArgumentPointerDouble(
+      pargs, KIM_COMPUTE_ARGUMENT_NAME_coordinates, &(atom->x[0][0]));
 
-   if (kim_model_has_forces)
-   {
-      if (lmps_hybrid)
-         kimerror = pkim->set_data_by_index(kim_ind_forces, nall*3,
-                                            (void*) &(lmps_force_tmp[0][0]));
-      else
-         kimerror = pkim->set_data_by_index(kim_ind_forces, nall*3,
-                                            (void*) &(atom->f[0][0]));
-      kim_error(__LINE__, "setm_data_by_index", kimerror);
-   }
+  // Set KIM pointer appropriately for particalEnergy
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleEnergy,
+                              KIM_SUPPORT_STATUS_required)
+      && (eflag_atom != 1))
+  {
+    // reallocate per-atom energy array if necessary
+    if (atom->nmax > maxeatom)
+    {
+      maxeatom = atom->nmax;
+      memory->destroy(eatom);
+      memory->create(eatom,comm->nthreads*maxeatom,"pair:eatom");
+    }
+  }
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleEnergy,
+                              KIM_SUPPORT_STATUS_optional)
+      && (eflag_atom != 1))
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs,
+        KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy,
+        reinterpret_cast<double * const>(NULL));
+  }
+  else if (KIM_SupportStatus_NotEqual(kim_model_support_for_particleEnergy,
+                                      KIM_SUPPORT_STATUS_notSupported))
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs, KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy, eatom);
+  }
 
-   // subvert the KIM api by direct access to this->list in get_neigh
-   //
-   //if (!kim_model_using_cluster)
-   //   kimerror = pkim->set_data_by_index(kim_ind_neighObject, 1,
-   //                                      (void*) this->list);
+  // Set KIM pointer appropriately for forces
+  if (KIM_SupportStatus_Equal(kim_model_support_for_forces,
+                              KIM_SUPPORT_STATUS_notSupported))
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs,
+        KIM_COMPUTE_ARGUMENT_NAME_partialForces,
+        reinterpret_cast<double * const>(NULL));
+  }
+  else
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs, KIM_COMPUTE_ARGUMENT_NAME_partialForces, &(atom->f[0][0]));
+  }
 
-   if (kim_model_has_particleVirial)
-   {
-      if(vflag_atom != 1) {
-         pkim->set_compute_by_index(kim_ind_particleVirial, KIM_COMPUTE_FALSE,
-                                    &kimerror);
-      } else {
-         pkim->set_compute_by_index(kim_ind_particleVirial, KIM_COMPUTE_TRUE,
-                                    &kimerror);
-      }
-   }
+  // Set KIM pointer appropriately for particleVirial
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
+                              KIM_SUPPORT_STATUS_required)
+      && (vflag_atom != 1))
+  {
+    // reallocate per-atom virial array if necessary
+    if (atom->nmax > maxeatom)
+    {
+      maxvatom = atom->nmax;
+      memory->destroy(vatom);
+      memory->create(vatom,comm->nthreads*maxvatom,6,"pair:vatom");
+    }
+  }
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
+                              KIM_SUPPORT_STATUS_optional)
+      && (vflag_atom != 1))
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs,
+        KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial,
+        reinterpret_cast<double * const>(NULL));
+  }
+  else if (KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial,
+                                      KIM_SUPPORT_STATUS_notSupported))
+  {
+    kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(
+        pargs, KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy, &(vatom[0][0]));
+  }
 
-   if (no_virial_fdotr_compute == 1)
-   {
-      pkim->set_compute_by_index(kim_ind_virial,
-       ((vflag_global != 1) ? KIM_COMPUTE_FALSE : KIM_COMPUTE_TRUE),
-       &kimerror);
-   }
+  if (kimerror)
+  {
+    error->all(FLERR,"Unable to set KIM argument pointers");
+  }
 
-   return;
+  return;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -985,432 +929,183 @@ void PairKIM::set_lmps_flags()
    // determint if newton is on or off
    lmps_using_newton = (force->newton_pair == 1);
 
-   // setup lmps_stripped_neigh_list for neighbors of one atom, if needed
-   lmps_using_molecular = (atom->molecular > 0);
-   if (lmps_using_molecular) {
-      memory->destroy(lmps_stripped_neigh_list);
-      memory->create(lmps_stripped_neigh_list,neighbor->oneatom,
-                     "pair:lmps_stripped_neigh_list");
-   }
-
    // determine if running with pair hybrid
-   lmps_hybrid = (force->pair_match("hybrid",0));
-
-   // support cluster mode if everything is just right
-   lmps_support_cluster = ((domain->xperiodic == 0 &&
-                            domain->yperiodic == 0 &&
-                            domain->zperiodic == 0
-                           )
-                           &&
-                           (comm->nprocs == 1)
-                          );
+   if (force->pair_match("hybrid",0))
+   {
+     error->all(FLERR,"pair_kim does not support hybrid");
+   }
 
    // determine unit system and set lmps_units flag
-   if ((strcmp(update->unit_style,"real")==0))
-      lmps_units = REAL;
-   else if ((strcmp(update->unit_style,"metal")==0))
-      lmps_units = METAL;
-   else if ((strcmp(update->unit_style,"si")==0))
-      lmps_units = SI;
-   else if ((strcmp(update->unit_style,"cgs")==0))
-      lmps_units = CGS;
-   else if ((strcmp(update->unit_style,"electron")==0))
-      lmps_units = ELECTRON;
-   else if ((strcmp(update->unit_style,"lj")==0))
-      error->all(FLERR,"LAMMPS unit_style lj not supported by KIM models");
-   else
-      error->all(FLERR,"Unknown unit_style");
+   if ((strcmp(update->unit_style,"real")==0)) {
+     lmps_units = REAL;
+     lengthUnit = KIM_LENGTH_UNIT_A;
+     energyUnit = KIM_ENERGY_UNIT_kcal_mol;
+     chargeUnit = KIM_CHARGE_UNIT_e;
+     temperatureUnit = KIM_TEMPERATURE_UNIT_K;
+     timeUnit = KIM_TIME_UNIT_fs;
+   } else if ((strcmp(update->unit_style,"metal")==0)) {
+     lmps_units = METAL;
+     lengthUnit = KIM_LENGTH_UNIT_A;
+     energyUnit = KIM_ENERGY_UNIT_eV;
+     chargeUnit = KIM_CHARGE_UNIT_e;
+     temperatureUnit = KIM_TEMPERATURE_UNIT_K;
+     timeUnit = KIM_TIME_UNIT_ps;
+   } else if ((strcmp(update->unit_style,"si")==0)) {
+     lmps_units = SI;
+     lengthUnit = KIM_LENGTH_UNIT_m;
+     energyUnit = KIM_ENERGY_UNIT_J;
+     chargeUnit = KIM_CHARGE_UNIT_C;
+     temperatureUnit = KIM_TEMPERATURE_UNIT_K;
+     timeUnit = KIM_TIME_UNIT_s;
+   } else if ((strcmp(update->unit_style,"cgs")==0)) {
+     lmps_units = CGS;
+     lengthUnit = KIM_LENGTH_UNIT_cm;
+     energyUnit = KIM_ENERGY_UNIT_erg;
+     chargeUnit = KIM_CHARGE_UNIT_statC;
+     temperatureUnit = KIM_TEMPERATURE_UNIT_K;
+     timeUnit = KIM_TIME_UNIT_s;
+   } else if ((strcmp(update->unit_style,"electron")==0)) {
+     lmps_units = ELECTRON;
+     lengthUnit = KIM_LENGTH_UNIT_Bohr;
+     energyUnit = KIM_ENERGY_UNIT_Hartree;
+     chargeUnit = KIM_CHARGE_UNIT_e;
+     temperatureUnit = KIM_TEMPERATURE_UNIT_K;
+     timeUnit = KIM_TIME_UNIT_fs;
+   } else if ((strcmp(update->unit_style,"lj")==0)) {
+     error->all(FLERR,"LAMMPS unit_style lj not supported by KIM models");
+   } else {
+     error->all(FLERR,"Unknown unit_style");
+   }
 
    return;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairKIM::set_kim_model_has_flags()
+int PairKIM::check_for_routine_compatibility()
 {
-   KIM_API_model mdl;
+  /* Check that we know about all required routines */
+  int numberOfModelRoutineNames;
+  KIM_MODEL_ROUTINE_NAME_GetNumberOfModelRoutineNames(
+      &numberOfModelRoutineNames);
+  for (int i = 0; i < numberOfModelRoutineNames; ++i)
+  {
+    KIM_ModelRoutineName modelRoutineName;
+    KIM_MODEL_ROUTINE_NAME_GetModelRoutineName(i, &modelRoutineName);
 
-   int kimerror;
+    int present;
+    int required;
+    int error = KIM_Model_IsRoutinePresent(
+        pkim, modelRoutineName, &present, &required);
+    if (error) { return true; }
 
-   // get KIM API object representing the KIM Model only
-   kimerror = mdl.model_info(kim_modelname);
-   kim_error(__LINE__,"KIM initialization failed", kimerror);
-
-   // determine if the KIM Model can compute the total energy
-   mdl.get_index((char*) "energy", &kimerror);
-   kim_model_has_energy = (kimerror == KIM_STATUS_OK);
-   if (!kim_model_has_energy)
-     error->warning(FLERR,"KIM Model does not provide `energy'; "
-                    "Potential energy will be zero");
-
-   // determine if the KIM Model can compute the forces
-   mdl.get_index((char*) "forces", &kimerror);
-   kim_model_has_forces = (kimerror == KIM_STATUS_OK);
-   if (!kim_model_has_forces)
-     error->warning(FLERR,"KIM Model does not provide `forces'; "
-                    "Forces will be zero");
-
-   // determine if the KIM Model can compute the particleEnergy
-   mdl.get_index((char*) "particleEnergy", &kimerror);
-   kim_model_has_particleEnergy = (kimerror == KIM_STATUS_OK);
-   if (!kim_model_has_particleEnergy)
-     error->warning(FLERR,"KIM Model does not provide `particleEnergy'; "
-                    "energy per atom will be zero");
-
-   // determine if the KIM Model can compute the particleVerial
-   mdl.get_index((char*) "particleVirial", &kimerror);
-   kim_model_has_particleVirial = (kimerror == KIM_STATUS_OK);
-   mdl.get_index((char*) "process_dEdr", &kimerror);
-   kim_model_has_particleVirial = kim_model_has_particleVirial ||
-     (kimerror == KIM_STATUS_OK);
-   if (!kim_model_has_particleVirial)
-     error->warning(FLERR,"KIM Model does not provide `particleVirial'; "
-                    "virial per atom will be zero");
-
-   // tear down KIM API object
-   mdl.free(&kimerror);
-   // now destructor will do the remaining tear down for mdl
+    if ((present == true) && (required == true))
+    {
+      if (!(KIM_ModelRoutineName_Equal(modelRoutineName,
+                                       KIM_MODEL_ROUTINE_NAME_Create)
+            || KIM_ModelRoutineName_Equal(
+                   modelRoutineName,
+                   KIM_MODEL_ROUTINE_NAME_ComputeArgumentsCreate)
+            || KIM_ModelRoutineName_Equal(modelRoutineName,
+                                          KIM_MODEL_ROUTINE_NAME_Compute)
+            || KIM_ModelRoutineName_Equal(modelRoutineName,
+                                          KIM_MODEL_ROUTINE_NAME_Refresh)
+            || KIM_ModelRoutineName_Equal(
+                   modelRoutineName,
+                   KIM_MODEL_ROUTINE_NAME_ComputeArgumentsDestroy)
+            || KIM_ModelRoutineName_Equal(modelRoutineName,
+                                          KIM_MODEL_ROUTINE_NAME_Destroy)))
+      { return true; }
+    }
+  }
 
-   return;
+  /* everything is good */
+  return false;
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairKIM::write_descriptor(char** test_descriptor_string)
-{
-   // allocate memory
-   if (*test_descriptor_string != 0)
-     error->all(FLERR, "Test_descriptor_string already allocated");
-   // assuming 75 lines at 100 characters each (should be plenty)
-   *test_descriptor_string = new char[100*75];
-   // initialize
-   strcpy(*test_descriptor_string, "");
-
-   // Write Test name and units
-   strcat(*test_descriptor_string,
-      "#\n"
-      "# BEGINNING OF KIM DESCRIPTOR FILE\n"
-      "#\n"
-      "# This file is automatically generated from LAMMPS pair_style "
-          "kim command\n");
-   strcat(*test_descriptor_string,
-      "\n"
-      "# The call number is (pair_style).(init_style): ");
-   char tmp_num[100];
-   sprintf(tmp_num, "%i.%i\n", settings_call_count, init_style_call_count);
-   strcat(*test_descriptor_string, tmp_num);
-   strcat(*test_descriptor_string,
-      "#\n"
-      "\n"
-#if KIM_API_VERSION_MAJOR == 1 && KIM_API_VERSION_MINOR == 5
-#else
-      "KIM_API_Version := 1.6.0\n\n"
-#endif
-      "# Base units\n");
-   switch (lmps_units)
-   {
-      case REAL:
-         strcat(*test_descriptor_string,
-      "Unit_length      := A\n"
-      "Unit_energy      := kcal/mol\n"
-      "Unit_charge      := e\n"
-      "Unit_temperature := K\n"
-      "Unit_time        := fs\n\n");
-      break;
-      case METAL:
-         strcat(*test_descriptor_string,
-      "Unit_length      := A\n"
-      "Unit_energy      := eV\n"
-      "Unit_charge      := e\n"
-      "Unit_temperature := K\n"
-      "Unit_time        := ps\n\n");
-      break;
-      case SI:
-         strcat(*test_descriptor_string,
-      "Unit_length      := m\n"
-      "Unit_energy      := J\n"
-      "Unit_charge      := C\n"
-      "Unit_temperature := K\n"
-      "Unit_time        := s\n\n");
-      break;
-      case CGS:
-         strcat(*test_descriptor_string,
-      "Unit_length      := cm\n"
-      "Unit_energy      := erg\n"
-      "Unit_charge      := statC\n"
-      "Unit_temperature := K\n"
-      "Unit_time        := s\n\n");
-      break;
-      case ELECTRON:
-         strcat(*test_descriptor_string,
-      "Unit_length      := Bohr\n"
-      "Unit_energy      := Hartree\n"
-      "Unit_charge      := e\n"
-      "Unit_temperature := K\n"
-      "Unit_time        := fs\n\n");
-      break;
-   }
-
-   // Write Supported species section
-   strcat(*test_descriptor_string,
-      "\n"
-#if KIM_API_VERSION_MAJOR == 1 && KIM_API_VERSON_MINOR == 5
-      "SUPPORTED_ATOM/PARTICLES_TYPES:\n"
-#else
-      "PARTICLE_SPECIES:\n"
-#endif
-      "# Symbol/name           Type            code\n");
-   int code=1;
-   char* tmp_line = 0;
-   tmp_line = new char[100];
-   for (int i=0; i < lmps_num_unique_elements; i++){
-      sprintf(tmp_line, "%-24s%-16s%-3i\n", lmps_unique_elements[i],
-              "spec", code++);
-      strcat(*test_descriptor_string, tmp_line);
-   }
-   delete [] tmp_line;
-   tmp_line = 0;
-   strcat(*test_descriptor_string, "\n");
-
-   // Write conventions section
-   strcat(*test_descriptor_string,
-      "\n"
-      "CONVENTIONS:\n"
-      "# Name                  Type\n"
-      "ZeroBasedLists          flag\n");
-   // can use iterator or locator neighbor mode, unless in hybrid mode
-   if (lmps_hybrid)
-      strcat(*test_descriptor_string,
-      "Neigh_IterAccess        flag\n");
-   else
-      strcat(*test_descriptor_string,
-      "Neigh_BothAccess        flag\n\n");
-
-   strcat(*test_descriptor_string,
-      "NEIGH_PURE_H            flag\n"
-      "NEIGH_PURE_F            flag\n"
-      "NEIGH_RVEC_H            flag\n"
-      "NEIGH_RVEC_F            flag\n");
-   // @@ add code for MI_OPBC_? support ????
-   if (lmps_support_cluster)
-   {
-      strcat(*test_descriptor_string,
-      "CLUSTER                 flag\n\n");
-   }
-   else
-   {
-      strcat(*test_descriptor_string, "\n");
-   }
-
-   // Write input section
-   strcat(*test_descriptor_string,
-      "\n"
-      "MODEL_INPUT:\n"
-      "# Name                         Type         Unit    Shape\n"
-      "numberOfParticles              integer      none    []\n"
-      "numberContributingParticles    integer      none    []\n"
-#if KIM_API_VERSION_MAJOR == 1 && KIM_API_VERSON_MINOR == 5
-      "numberParticleTypes            integer      none    []\n"
-      "particleTypes                  integer      none    "
-#else
-      "numberOfSpecies                integer      none    []\n"
-      "particleSpecies                integer      none    "
-#endif
-      "[numberOfParticles]\n"
-      "coordinates                    double       length  "
-      "[numberOfParticles,3]\n"
-      "neighObject                    pointer      none    []\n"
-      "get_neigh                      method       none    []\n");
-
-   // Write output section
-   strcat(*test_descriptor_string,
-      "\n"
-      "MODEL_OUPUT:\n"
-      "# Name                         Type         Unit    Shape\n"
-      "compute                        method       none    []\n"
-      "destroy                        method       none    []\n"
-      "cutoff                         double       length  []\n");
-   if (!kim_model_has_energy) strcat(*test_descriptor_string,"# ");
-   strcat(*test_descriptor_string,
-      "energy                         double       energy  []\n");
-   if (!kim_model_has_forces) strcat(*test_descriptor_string, "# ");
-   strcat(*test_descriptor_string,
-      "forces                         double       force   "
-      "[numberOfParticles,3]\n");
-   if (!kim_model_has_particleEnergy) strcat(*test_descriptor_string, "# ");
-   strcat(*test_descriptor_string,
-      "particleEnergy                 double       energy  "
-      "[numberOfParticles]\n");
-   if (no_virial_fdotr_compute != 1) strcat(*test_descriptor_string, "# ");
-   strcat(*test_descriptor_string,
-      "virial                         double       energy  [6]\n");
-   if (!kim_model_has_particleVirial) strcat(*test_descriptor_string, "# ");
-   strcat(*test_descriptor_string,
-      "particleVirial                 double       energy  "
-      "[numberOfParticles,6]\n"
-      "\n");
-   strcat(*test_descriptor_string,
-      "#\n"
-      "# END OF KIM DESCRIPTOR FILE\n"
-      "#\n");
-
-   return;
-}
-
-void *PairKIM::extract(const char *str, int &dim)
+void PairKIM::set_kim_model_has_flags()
 {
-  void *paramData;
-  int kimerror=0;
-  int ier;
-  int dummyint;
-  int isIndexed = 0;
-  const int MAXLINE = 1024;
-  int rank;
-  int validParam = 0;
-  int numParams;
-  int *speciesIndex = new int[MAXLINE];
-  char *paramStr = new char[MAXLINE];
-  char *paramName;
-  char *indexStr;
-  char message[MAXLINE];
-  int offset;
-  double* paramPtr;
-
-  // set dim to 0, we will always deal with scalars to circumvent lammps species
-  // indexing
-  dim = 0;
-
-  // copy the input str into paramStr for parsing
-  strcpy(paramStr, str);
-  // get the name of the parameter (whatever is before ":")
-  paramName = strtok(paramStr, ":");
-  if (0 == strcmp(paramName, str))
-    paramName = (char*) str;
-  else
-    isIndexed = 1;
-
-  // parse the rest of the string into tokens deliminated by "," and convert
-  // them to integers, saving them into speciesIndex
-  int count = -1;
-  if (isIndexed == 1)
+  int numberOfComputeArgumentNames;
+  KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames(
+      &numberOfComputeArgumentNames);
+  for (int i = 0; i < numberOfComputeArgumentNames; ++i)
   {
-    while((indexStr = strtok(NULL, ",")) != NULL)
+    KIM_ComputeArgumentName computeArgumentName;
+    KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName(
+        i, &computeArgumentName);
+    KIM_SupportStatus supportStatus;
+    KIM_ComputeArguments_GetArgumentSupportStatus(
+        pargs, computeArgumentName, &supportStatus);
+
+    if (KIM_ComputeArgumentName_Equal(computeArgumentName,
+                                      KIM_COMPUTE_ARGUMENT_NAME_partialEnergy)
+       )
+      kim_model_support_for_energy = supportStatus;
+    else if (KIM_ComputeArgumentName_Equal(
+                 computeArgumentName, KIM_COMPUTE_ARGUMENT_NAME_partialForces)
+            )
+      kim_model_support_for_forces = supportStatus;
+    else if
+        (KIM_ComputeArgumentName_Equal(
+            computeArgumentName,
+            KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy)\
+        )
+      kim_model_support_for_particleEnergy = supportStatus;
+    else if
+        (KIM_ComputeArgumentName_Equal(
+            computeArgumentName,
+            KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial)
+        )
+      kim_model_support_for_particleVirial = supportStatus;
+    else if (KIM_SupportStatus_Equal(supportStatus, KIM_SUPPORT_STATUS_required)
+            )
     {
-      count++;
-      ier = sscanf(indexStr, "%d", &speciesIndex[count]);
-      if (ier != 1)
-      {
-        ier = -1;
-        break;
-      }
+      std::stringstream msg;
+      msg << "KIM Model requires unsupported compute argument: "
+          << KIM_ComputeArgumentName_ToString(computeArgumentName);
+      error->all(FLERR, msg.str().c_str());
     }
   }
-  if (ier == -1)
-  {
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] paramStr, paramStr = 0;
-    kim_error(__LINE__,"error in PairKIM::extract(), invalid parameter-indicie format", KIM_STATUS_FAIL);
-  }
-
-  // check to make sure that the requested parameter is a valid free parameter
 
-  kimerror = pkim->get_num_params(&numParams, &dummyint);
-  kim_error(__LINE__, "get_num_free_params", kimerror);
-  char **freeParamNames = new char*[numParams];
-  for (int k = 0; k < numParams; k++)
+  if (KIM_SupportStatus_Equal(kim_model_support_for_energy,
+                              KIM_SUPPORT_STATUS_notSupported))
+    error->warning(FLERR,"KIM Model does not provide `partialEnergy'; "
+                   "Potential energy will be zero");
+
+  if (KIM_SupportStatus_Equal(kim_model_support_for_forces,
+                              KIM_SUPPORT_STATUS_notSupported))
+    error->warning(FLERR,"KIM Model does not provide `partialForce'; "
+                   "Forces will be zero");
+
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleEnergy,
+                              KIM_SUPPORT_STATUS_notSupported))
+    error->warning(FLERR,"KIM Model does not provide `partialParticleEnergy'; "
+                   "energy per atom will be zero");
+
+  if (KIM_SupportStatus_Equal(kim_model_support_for_particleVirial,
+                              KIM_SUPPORT_STATUS_notSupported))
+    error->warning(FLERR,"KIM Model does not provide `partialParticleVirial'; "
+                   "virial per atom will be zero");
+
+  int numberOfComputeCallbackNames;
+  KIM_COMPUTE_CALLBACK_NAME_GetNumberOfComputeCallbackNames(
+      &numberOfComputeCallbackNames);
+  for (int i = 0; i < numberOfComputeCallbackNames; ++i)
   {
-    kimerror = pkim->get_free_parameter(k, (const char**) &freeParamNames[k]);
-    kim_error(__LINE__, "get_free_parameter", kimerror);
-    if (0 == strcmp(paramName, freeParamNames[k]))
+    KIM_ComputeCallbackName computeCallbackName;
+    KIM_COMPUTE_CALLBACK_NAME_GetComputeCallbackName(
+        i, &computeCallbackName);
+    KIM_SupportStatus supportStatus;
+    KIM_ComputeArguments_GetCallbackSupportStatus(
+        pargs, computeCallbackName, &supportStatus);
+
+    if (KIM_SupportStatus_Equal(supportStatus, KIM_SUPPORT_STATUS_required))
     {
-      validParam = 1;
-      break;
+      error->all(FLERR,"KIM Model requires unsupported compute callback");
     }
   }
-  delete [] freeParamNames, freeParamNames = 0;
-  if (validParam == 0)
-  {
-    sprintf(message, "Invalid parameter to adapt: \"%s\" is not a FREE_PARAM", paramName);
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] paramStr, paramStr = 0;
-    kim_error(__LINE__, message, KIM_STATUS_FAIL);
-  }
-
-  // get the parameter arry from pkim object
-  paramData = pkim->get_data(paramName, &kimerror);
-  if (kimerror == KIM_STATUS_FAIL)
-  {
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] paramStr, paramStr = 0;
-  }
-  kim_error(__LINE__,"get_data",kimerror);
-
-  // get rank and shape of parameter
-  rank = (*pkim).get_rank(paramName, &kimerror);
-  if (kimerror == KIM_STATUS_FAIL)
-  {
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] paramStr, paramStr = 0;
-  }
-  kim_error(__LINE__,"get_rank",kimerror);
-
-  int *shape = new int[MAXLINE];
-  dummyint = (*pkim).get_shape(paramName, shape, &kimerror);
-  if (kimerror == KIM_STATUS_FAIL)
-  {
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] paramStr, paramStr = 0;
-    delete [] shape, shape = 0;
-  }
-  kim_error(__LINE__,"get_shape",kimerror);
-
-  delete [] paramStr, paramStr = 0;
-  // check that number of inputs is rank, and that input indicies are less than
-  // their respective dimensions in shape
-  if ((count+1) != rank)
-  {
-    sprintf(message, "Number of input indicies not equal to rank of specified parameter (%d)", rank);
-    kimerror = KIM_STATUS_FAIL;
-    delete [] speciesIndex, speciesIndex = 0;
-    delete [] shape, shape = 0;
-    kim_error(__LINE__,message, kimerror);
-  }
-  if (isIndexed == 1)
-  {
-    for (int i=0; i <= count; i++)
-    {
-      if (shape[i] <= speciesIndex[i] || speciesIndex[i] < 0)
-      {
-        kimerror = KIM_STATUS_FAIL;
-        break;
-      }
-    }
-  }
-  delete [] shape, shape = 0;
-  if (kimerror == KIM_STATUS_FAIL)
-  {
-    sprintf(message, "One or more parameter indicies out of bounds");
-    delete [] speciesIndex, speciesIndex = 0;
-    kim_error(__LINE__, message, kimerror);
-  }
-
-  // Cast it to a double
-  paramPtr = static_cast<double*>(paramData);
-
-  // If it is indexed (not just a scalar for the whole model), then get pointer
-  // corresponding to specified indicies by calculating the adress offset using
-  // specified indicies and the shape
-  if (isIndexed == 1)
-  {
-     offset = 0;
-     for (int i = 0; i < (rank-1); i++)
-     {
-       offset = (offset + speciesIndex[i]) * shape[i+1];
-     }
-     offset = offset + speciesIndex[(rank - 1)];
-     paramPtr = (paramPtr + offset);
-  }
-  delete [] speciesIndex, speciesIndex = 0;
 
-  return ((void*) paramPtr);
+  return;
 }
diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h
index fb4cda8af9df96bd29595ceb66753d5d2c24b3c5..27bab6c687457a88df134898c8cf86933290d29a 100644
--- a/src/KIM/pair_kim.h
+++ b/src/KIM/pair_kim.h
@@ -12,14 +12,45 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing authors: Ryan S. Elliott,
-                         Valeriu Smirichinski,
-                         Ellad Tadmor (U Minn)
+   Contributing authors: Ryan S. Elliott (UMinn)
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Designed for use with the openkim-api-v1.5.0 package and for use with
-   the kim-api-v1.6.0 (and newer) package
+   This program is free software; you can redistribute it and/or modify it
+   under the terms of the GNU General Public License as published by the Free
+   Software Foundation; either version 2 of the License, or (at your option)
+   any later version.
+
+   This program is distributed in the hope that it will be useful, but WITHOUT
+   ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+   FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for
+   more details.
+
+   You should have received a copy of the GNU General Public License along with
+   this program; if not, see <https://www.gnu.org/licenses>.
+
+   Linking LAMMPS statically or dynamically with other modules is making a
+   combined work based on LAMMPS. Thus, the terms and conditions of the GNU
+   General Public License cover the whole combination.
+
+   In addition, as a special exception, the copyright holders of LAMMPS give
+   you permission to combine LAMMPS with free software programs or libraries
+   that are released under the GNU LGPL and with code included in the standard
+   release of the "kim-api" under the CDDL (or modified versions of such code,
+   with unchanged license). You may copy and distribute such a system following
+   the terms of the GNU GPL for LAMMPS and the licenses of the other code
+   concerned, provided that you include the source code of that other code
+   when and as the GNU GPL requires distribution of source code.
+
+   Note that people who make modified versions of LAMMPS are not obligated to
+   grant this special exception for their modified versions; it is their choice
+   whether to do so. The GNU General Public License gives permission to release
+   a modified version without this exception; this exception also makes it
+   possible to release a modified version which carries forward this exception.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Designed for use with the kim-api-2.0.2 (and newer) package
 ------------------------------------------------------------------------- */
 
 #ifdef PAIR_CLASS
@@ -34,6 +65,10 @@ PairStyle(kim,PairKIM)
 // includes from KIM & LAMMPS
 class KIM_API_model;
 #include "pair.h"
+extern "C" {
+#include "KIM_SimulatorHeaders.h"
+}
+#include <sstream>
 
 
 namespace LAMMPS_NS {
@@ -48,14 +83,13 @@ namespace LAMMPS_NS {
       virtual void settings(int, char**);
       virtual void coeff(int, char**);
       virtual void init_style();
+      virtual void init_list(int id, NeighList *ptr);
       virtual double init_one(int, int);
-      virtual void reinit();
       virtual int pack_reverse_comm(int, int, double*);
       virtual void unpack_reverse_comm(int, int*, double*);
       virtual double memory_usage();
-      void *extract(const char *, int &);
 
-   private:
+   protected:
       // (nearly) all bool flags are not initialized in constructor, but set
       // explicitly in the indicated function.  All other data members are
       // initialized in constructor
@@ -64,12 +98,11 @@ namespace LAMMPS_NS {
 
       // values set in settings()
       char* kim_modelname;
-      bool print_kim_file;
 
       // values set in coeff()
 
       // values set in allocate(), called by coeff()
-      void allocate();
+      virtual void allocate();
       int* lmps_map_species_to_unique;
 
       // values set in coeff(), after calling allocate()
@@ -80,74 +113,59 @@ namespace LAMMPS_NS {
       // values set in set_lmps_flags(), called from init_style()
       bool lmps_using_newton;
       bool lmps_using_molecular;
-      bool lmps_hybrid;             // true if running with pair hybrid
-      bool lmps_support_cluster;    // true if running in mode compat.
-                                    // with CLUSTER
       enum unit_sys {REAL, METAL, SI, CGS, ELECTRON};
       unit_sys lmps_units;
+      KIM_LengthUnit lengthUnit;
+      KIM_EnergyUnit energyUnit;
+      KIM_ChargeUnit chargeUnit;
+      KIM_TemperatureUnit temperatureUnit;
+      KIM_TimeUnit timeUnit;
+
+      KIM_Model * pkim;
+      KIM_ComputeArguments * pargs;
 
       // values set in set_kim_model_has_flags(), called by kim_init()
-      KIM_API_model* pkim;
-      bool kim_model_has_energy;
-      bool kim_model_has_forces;
-      bool kim_model_has_particleEnergy;
-      bool kim_model_has_particleVirial;
+      KIM_SupportStatus kim_model_support_for_energy;
+      KIM_SupportStatus kim_model_support_for_forces;
+      KIM_SupportStatus kim_model_support_for_particleEnergy;
+      KIM_SupportStatus kim_model_support_for_particleVirial;
 
-      // values set in kim_init(), after call to string_init(_)
+      // values set in kim_init()
       bool kim_init_ok;
-      bool kim_model_using_half;
-      bool kim_model_using_cluster;
-      bool kim_model_using_Rij;
-      int kim_ind_coordinates;
-      int kim_ind_numberOfParticles;
-      int kim_ind_numberContributingParticles;
-      int kim_ind_numberOfSpecies;
-      int kim_ind_particleSpecies;
-      int kim_ind_get_neigh;
-      int kim_ind_neighObject;
-      int kim_ind_cutoff;
-      int kim_ind_energy;
-      int kim_ind_particleEnergy;
-      int kim_ind_forces;
-      int kim_ind_virial;
-      int kim_ind_particleVirial;
-
-      // values set in init_style(), after calling pkim->model_init()
-      bool kim_model_init_ok;
+      int lmps_local_tot_num_atoms;
+      double kim_global_influence_distance;  // KIM Model cutoff value
+      int kim_number_of_neighbor_lists;
+      double const * kim_cutoff_values;
+      int const * modelWillNotRequestNeighborsOfNoncontributingParticles;
+       class NeighList ** neighborLists;
+
+      // values set in init_style()
       bool kim_particle_codes_ok;
       int *kim_particle_codes;
 
-      // values set in set_statics(), called at end of kim_init(),
-      //   then again in set_volatiles(), called in compute()
-      int lmps_local_tot_num_atoms;
-      double kim_global_cutoff;       // KIM Model cutoff value
-
       // values set in compute()
       int lmps_maxalloc;              // max allocated memory value
       int* kim_particleSpecies;       // array of KIM particle species
-      double** lmps_force_tmp;        // temp storage for f, when running in
-                                      // hybrid mode needed to avoid resetting
-                                      // f to zero in each object
+      int* kim_particleContributing;  // array of KIM particle contributing
       int* lmps_stripped_neigh_list;  // neighbors of one atom, used when LAMMPS
                                       // is in molecular mode
-
-      // values used in get_neigh()
-      int kim_iterator_position;      //get_neigh iterator current position
-      double *Rij;
+      int** lmps_stripped_neigh_ptr;  // pointer into lists
 
       // KIM specific helper functions
-      void kim_error(int, const char *, int);
-      void kim_init();
-      void kim_free();
-      void set_statics();
-      void set_volatiles();
-      void set_lmps_flags();
-      void set_kim_model_has_flags();
-      void write_descriptor(char** test_descriptor_string);
+      virtual void set_contributing();
+      virtual void kim_init();
+      virtual void kim_free();
+      virtual void set_argument_pointers();
+      virtual void set_lmps_flags();
+      virtual void set_kim_model_has_flags();
+      virtual int check_for_routine_compatibility();
       // static methods used as callbacks from KIM
-      static int get_neigh(void** kimmdl, int* mode, int* request,
-                           int* atom, int* numnei, int** nei1atom,
-                           double** pRij);
+      static int get_neigh(
+         void const * const dataObject,
+         int const numberOfCutoffs, double const * const cutoffs,
+         int const neighborListIndex, int const particleNumber,
+         int * const numberOfNeighbors,
+         int const ** const neighborsOfParticle);
    };
 }
 
@@ -156,81 +174,92 @@ namespace LAMMPS_NS {
 
 /* ERROR/WARNING messages:
 
-E: Illegal ... command
+E: Unable to set KIM particle species codes and/or contributing
+
+A low-level kim-api error has occurred.
+
+E: KIM Compute returned error
 
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line.
+The KIM model was unable, for some reason, to complete the computation.
 
-E: Unrecognized virial argument in pair_style command
+E: 'KIMvirial' or 'LAMMPSvirial' not supported with kim-api.
 
-Only two options are supported: LAMMPSvirial and KIMvirial
+"KIMvirial or "LAMMPSvirial" found on the pair_style line.  These keys are not supported kim-api. (The virial computation is always performed by LAMMPS.) Please remove these keys, make sure the KIM model you are using supports kim-api, and rerun.
+
+E: Illegal pair_style command
+
+Self-explanatory.
 
 E: Incorrect args for pair coefficients
 
-Self-explanatory.  Check the input script or data file.
+Self-explanatory.
 
-E: Invalid args for non-hybrid pair coefficients
+E: create_kim_particle_codes: symbol not found: XX
 
-"NULL" is only supported in pair_coeff calls when using pair hybrid
+The KIM model specified does not support the atomic species symbol
 
 E: PairKIM only works with 3D problems
 
-This is a current limitation.
+Self-explanatory.
 
 E: All pair coeffs are not set
 
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
+Self-explanatory.
+
+E: Unable to destroy Compute Arguments Object
+
+A low-level kim-api error has occurred.
 
-E: KIM neighbor iterator exceeded range
+E: KIM ModelCreate failed
 
-This should not happen.  It likely indicates a bug
-in the KIM implementation of the interatomic potential
-where it is requesting neighbors incorrectly.
+The kim-api was not able to create a model object for the specified model.
 
-E: LAMMPS unit_style lj not supported by KIM models
+E: KIM Model did not accept the requested unit system
 
-Self-explanatory. Check the input script or data file.
+The KIM Model does not support the specified LAMMPS unit system
 
-E: Unknown unit_style
+E: KIM ComputeArgumentsCreate failed
 
-Self-explanatory. Check the input script or data file.
+A low-level kim-api error has occurred.
 
-W: KIM Model does not provide `energy'; Potential energy will be zero
+E: Unable to register KIM pointers
 
-UNDOCUMENTED
+A low-level kim-api error has occurred.
 
-W: KIM Model does not provide `forces'; Forces will be zero
+E: Unable to set KIM argument pointers
 
-UNDOCUMENTED
+A low-level kim-api error has occurred.
 
-W: KIM Model does not provide `particleEnergy'; energy per atom will be zero
+E: pair_kim does not support hybrid
 
-UNDOCUMENTED
+Self-explanatory.
 
-W: KIM Model does not provide `particleVirial'; virial per atom will be zero
+E: LAMMPS unit_style lj not suppored by KIM models
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Test_descriptor_string already allocated
+E: KIM Model requires unsupported compute argument: XXX
 
-This is an internal error.  Contact the developers.
+A low-level kim-api error has occurred.
 
-U: KIM Model does not provide 'energy'; Potential energy will be zero
+W: KIM Model does not provide `partialEnergy'; Potential energy will be zero
 
 Self-explanatory.
 
-U: KIM Model does not provide 'forces'; Forces will be zero
+W: KIM Model does not provide `partialForce'; Forces will be zero
 
 Self-explanatory.
 
-U: KIM Model does not provide 'particleEnergy'; energy per atom will be zero
+W: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero
 
 Self-explanatory.
 
-U: KIM Model does not provide 'particleVirial'; virial per atom will be zero
+W: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero
 
 Self-explanatory.
 
+E: KIM Model requires unsupported compute callback
+
+A low-level kim-api error has occurred.
+
 */
diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp
index 7a83e0d654932a9612bc599aa7ea1f7f60315ff4..0f46c958d6f62654789a7fc6423fe9f5ce4971bd 100644
--- a/src/KOKKOS/angle_charmm_kokkos.cpp
+++ b/src/KOKKOS/angle_charmm_kokkos.cpp
@@ -64,8 +64,7 @@ void AngleCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -447,7 +446,7 @@ void AngleCharmmKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
 
 namespace LAMMPS_NS {
 template class AngleCharmmKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class AngleCharmmKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/angle_class2_kokkos.cpp b/src/KOKKOS/angle_class2_kokkos.cpp
index 289753a3ee85d1a1ed66dcb9e7855e1578f35d4d..836714764d2177a123ee4d9b9989405bc2b6c953 100644
--- a/src/KOKKOS/angle_class2_kokkos.cpp
+++ b/src/KOKKOS/angle_class2_kokkos.cpp
@@ -64,8 +64,7 @@ void AngleClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -598,7 +597,7 @@ void AngleClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
 
 namespace LAMMPS_NS {
 template class AngleClass2Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class AngleClass2Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/angle_cosine_kokkos.cpp b/src/KOKKOS/angle_cosine_kokkos.cpp
index d22ad20f55cd092a811d523b5ea11420caac8641..4a4866948f2979ef287a265ec6226997b59640f5 100644
--- a/src/KOKKOS/angle_cosine_kokkos.cpp
+++ b/src/KOKKOS/angle_cosine_kokkos.cpp
@@ -64,8 +64,7 @@ void AngleCosineKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -387,7 +386,7 @@ void AngleCosineKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
 
 namespace LAMMPS_NS {
 template class AngleCosineKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class AngleCosineKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/angle_harmonic_kokkos.cpp b/src/KOKKOS/angle_harmonic_kokkos.cpp
index 250397c8e3c6c6ddd1aa25939204ad9905d2dc7f..dbe705800c4d9dcafaecdd722aa236a6bd792210 100644
--- a/src/KOKKOS/angle_harmonic_kokkos.cpp
+++ b/src/KOKKOS/angle_harmonic_kokkos.cpp
@@ -64,8 +64,7 @@ void AngleHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -405,7 +404,7 @@ void AngleHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const
 
 namespace LAMMPS_NS {
 template class AngleHarmonicKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class AngleHarmonicKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/atom_kokkos.cpp b/src/KOKKOS/atom_kokkos.cpp
index b54719e852cb939ffc313df6a81235054781bccc..813c5ddbf26f4f63829a8c51b2115e21256b9737 100644
--- a/src/KOKKOS/atom_kokkos.cpp
+++ b/src/KOKKOS/atom_kokkos.cpp
@@ -22,6 +22,7 @@
 #include "memory_kokkos.h"
 #include "error.h"
 #include "kokkos.h"
+#include "atom_masks.h"
 
 using namespace LAMMPS_NS;
 
@@ -270,8 +271,10 @@ int AtomKokkos::add_custom(const char *name, int flag)
     int n = strlen(name) + 1;
     dname[index] = new char[n];
     strcpy(dname[index],name);
+    this->sync(Device,DVECTOR_MASK);
     memoryKK->grow_kokkos(k_dvector,dvector,ndvector,nmax,
                         "atom:dvector");
+    this->modified(Device,DVECTOR_MASK);
   }
 
   return index;
diff --git a/src/KOKKOS/atom_vec_angle_kokkos.cpp b/src/KOKKOS/atom_vec_angle_kokkos.cpp
index 352fec57fbbbff1c2510cabb0dda4aed7dc5082c..e4f27e733aa47e4249a813a3ea0d67304b13161f 100644
--- a/src/KOKKOS/atom_vec_angle_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_angle_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -59,14 +59,15 @@ AtomVecAngleKokkos::AtomVecAngleKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecAngleKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -98,7 +99,7 @@ void AtomVecAngleKokkos::grow(int n)
                       "atom:angle_atom3");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -282,7 +283,7 @@ int AtomVecAngleKokkos::pack_comm_kokkos(const int &n,
   // Choose correct forward PackComm kernel
 
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecAngleKokkos_PackComm<LMPHostType,1,1> f(atomKK->k_x,buf,list,iswap,
@@ -309,7 +310,7 @@ int AtomVecAngleKokkos::pack_comm_kokkos(const int &n,
       }
     }
   } else {
-    sync(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecAngleKokkos_PackComm<LMPDeviceType,1,1> f(atomKK->k_x,buf,list,iswap,
@@ -397,8 +398,8 @@ int AtomVecAngleKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &li
                                        const int nfirst, const int &pbc_flag,
                                        const int* const pbc) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
-    modified(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
+    atomKK->modified(Host,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecAngleKokkos_PackCommSelf<LMPHostType,1,1>
@@ -429,8 +430,8 @@ int AtomVecAngleKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &li
       }
     }
   } else {
-    sync(Device,X_MASK);
-    modified(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
+    atomKK->modified(Device,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecAngleKokkos_PackCommSelf<LMPDeviceType,1,1>
@@ -493,13 +494,13 @@ struct AtomVecAngleKokkos_UnpackComm {
 void AtomVecAngleKokkos::unpack_comm_kokkos(const int &n, const int &first,
     const DAT::tdual_xfloat_2d &buf ) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
-    modified(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
+    atomKK->modified(Host,X_MASK);
     struct AtomVecAngleKokkos_UnpackComm<LMPHostType> f(atomKK->k_x,buf,first);
     Kokkos::parallel_for(n,f);
   } else {
-    sync(Device,X_MASK);
-    modified(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
+    atomKK->modified(Device,X_MASK);
     struct AtomVecAngleKokkos_UnpackComm<LMPDeviceType> f(atomKK->k_x,buf,first);
     Kokkos::parallel_for(n,f);
   }
@@ -642,7 +643,7 @@ void AtomVecAngleKokkos::unpack_comm_vel(int n, int first, double *buf)
 int AtomVecAngleKokkos::pack_reverse(int n, int first, double *buf)
 {
   if(n > 0)
-    sync(Host,F_MASK);
+    atomKK->sync(Host,F_MASK);
 
   int m = 0;
   const int last = first + n;
@@ -659,7 +660,7 @@ int AtomVecAngleKokkos::pack_reverse(int n, int first, double *buf)
 void AtomVecAngleKokkos::unpack_reverse(int n, int *list, double *buf)
 {
   if(n > 0)
-    modified(Host,F_MASK);
+    atomKK->modified(Host,F_MASK);
 
   int m = 0;
   for (int i = 0; i < n; i++) {
@@ -960,9 +961,9 @@ struct AtomVecAngleKokkos_UnpackBorder {
 void AtomVecAngleKokkos::unpack_border_kokkos(const int &n, const int &first,
                                              const DAT::tdual_xfloat_2d &buf,
                                              ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   if(space==Host) {
     struct AtomVecAngleKokkos_UnpackBorder<LMPHostType>
       f(buf.view<LMPHostType>(),h_x,h_tag,h_type,h_mask,h_molecule,first);
@@ -984,7 +985,7 @@ void AtomVecAngleKokkos::unpack_border(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -1010,7 +1011,7 @@ void AtomVecAngleKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -1412,7 +1413,7 @@ int AtomVecAngleKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
            ANGLE_MASK | SPECIAL_MASK);
 
@@ -1487,7 +1488,7 @@ int AtomVecAngleKokkos::size_restart()
 
 int AtomVecAngleKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
             ANGLE_MASK | SPECIAL_MASK);
 
@@ -1541,7 +1542,7 @@ int AtomVecAngleKokkos::unpack_restart(double *buf)
     if (atom->nextra_store)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
                 ANGLE_MASK | SPECIAL_MASK);
 
diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
index 6aba49e5f3a5b9689b19ce109c5a2534d44c8fd8..95e4ddd72b76fed0bcaa0421e810edabd1b1898b 100644
--- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -55,14 +55,15 @@ AtomVecAtomicKokkos::AtomVecAtomicKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecAtomicKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -74,7 +75,7 @@ void AtomVecAtomicKokkos::grow(int n)
   memoryKK->grow_kokkos(atomKK->k_f,atomKK->f,nmax,3,"atom:f");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -393,9 +394,9 @@ struct AtomVecAtomicKokkos_UnpackBorder {
 
 void AtomVecAtomicKokkos::unpack_border_kokkos(const int &n, const int &first,
                      const DAT::tdual_xfloat_2d &buf,ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
   if(space==Host) {
     struct AtomVecAtomicKokkos_UnpackBorder<LMPHostType> f(buf.view<LMPHostType>(),h_x,h_tag,h_type,h_mask,first);
     Kokkos::parallel_for(n,f);
@@ -415,7 +416,7 @@ void AtomVecAtomicKokkos::unpack_border(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -440,7 +441,7 @@ void AtomVecAtomicKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -668,7 +669,7 @@ int AtomVecAtomicKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK);
 
   int m = 1;
@@ -720,7 +721,7 @@ int AtomVecAtomicKokkos::size_restart()
 
 int AtomVecAtomicKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK );
 
   int m = 1;
@@ -755,7 +756,7 @@ int AtomVecAtomicKokkos::unpack_restart(double *buf)
     if (atom->nextra_store)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK );
 
   int m = 1;
diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp
index c884d23880504c533d7b9d545898a6a319c93149..92311d5d09edaffecf4d90bf9d6324461aed115f 100644
--- a/src/KOKKOS/atom_vec_bond_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -43,6 +43,8 @@ AtomVecBondKokkos::AtomVecBondKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
   size_data_vel = 4;
   xcol_data = 4;
 
+  atom->molecule_flag = 1;
+
   k_count = DAT::tdual_int_1d("atom::k_count",1);
   atomKK = (AtomKokkos *) atom;
   commKK = (CommKokkos *) comm;
@@ -56,14 +58,15 @@ AtomVecBondKokkos::AtomVecBondKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecBondKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -82,7 +85,7 @@ void AtomVecBondKokkos::grow(int n)
   memoryKK->grow_kokkos(atomKK->k_bond_atom,atomKK->bond_atom,nmax,atomKK->bond_per_atom,"atom:bond_atom");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atomKK->nextra_grow; iextra++)
@@ -466,9 +469,9 @@ struct AtomVecBondKokkos_UnpackBorder {
 void AtomVecBondKokkos::unpack_border_kokkos(const int &n, const int &first,
                                              const DAT::tdual_xfloat_2d &buf,
                                              ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   if(space==Host) {
     struct AtomVecBondKokkos_UnpackBorder<LMPHostType>
       f(buf.view<LMPHostType>(),h_x,h_tag,h_type,h_mask,h_molecule,first);
@@ -490,7 +493,7 @@ void AtomVecBondKokkos::unpack_border(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -516,7 +519,7 @@ void AtomVecBondKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -864,7 +867,7 @@ int AtomVecBondKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK | SPECIAL_MASK);
 
   int k;
@@ -932,7 +935,7 @@ int AtomVecBondKokkos::size_restart()
 
 int AtomVecBondKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK | SPECIAL_MASK);
   int m = 1;
   buf[m++] = h_x(i,0);
@@ -976,7 +979,7 @@ int AtomVecBondKokkos::unpack_restart(double *buf)
     if (atom->nextra_store)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK | SPECIAL_MASK);
   int m = 1;
   h_x(nlocal,0) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_charge_kokkos.cpp b/src/KOKKOS/atom_vec_charge_kokkos.cpp
index 11e46d1274165b4b58e509deb545dfc7848bf42a..31a690f521172a936caf7bf6cbf1460973ffb906 100644
--- a/src/KOKKOS/atom_vec_charge_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_charge_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -58,14 +58,15 @@ AtomVecChargeKokkos::AtomVecChargeKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecChargeKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -79,7 +80,7 @@ void AtomVecChargeKokkos::grow(int n)
   memoryKK->grow_kokkos(atomKK->k_q,atomKK->q,nmax,"atom:q");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -494,7 +495,7 @@ void AtomVecChargeKokkos::unpack_border_kokkos(const int &n, const int &first,
       f(buf.view<LMPDeviceType>(),d_x,d_tag,d_type,d_mask,d_q,first);
     Kokkos::parallel_for(n,f);
   }
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -510,7 +511,7 @@ void AtomVecChargeKokkos::unpack_border(int n, int first, double *buf)
     if (i == nmax) {
       grow(0);
     }
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -536,7 +537,7 @@ void AtomVecChargeKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -797,7 +798,7 @@ int AtomVecChargeKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | Q_MASK);
 
   int m = 1;
@@ -850,7 +851,7 @@ int AtomVecChargeKokkos::size_restart()
 
 int AtomVecChargeKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | Q_MASK);
 
   int m = 1;
@@ -888,7 +889,7 @@ int AtomVecChargeKokkos::unpack_restart(double *buf)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | Q_MASK);
 
   int m = 1;
diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp
index 30db76e72346540fe7b897010dde370808541412..4034efee9ef659359dd6ee0b740d465afe94278c 100644
--- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -60,14 +60,15 @@ AtomVecDPDKokkos::AtomVecDPDKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecDPDKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -93,7 +94,7 @@ void AtomVecDPDKokkos::grow(int n)
       modify->fix[atom->extra_grow[iextra]]->grow_arrays(nmax);
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 }
 
 /* ----------------------------------------------------------------------
@@ -158,7 +159,7 @@ void AtomVecDPDKokkos::grow_reset()
 
 void AtomVecDPDKokkos::copy(int i, int j, int delflag)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
             UCG_MASK | UCGNEW_MASK |
             UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
@@ -184,7 +185,7 @@ void AtomVecDPDKokkos::copy(int i, int j, int delflag)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
       modify->fix[atom->extra_grow[iextra]]->copy_arrays(i,j,delflag);
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
                 UCG_MASK | UCGNEW_MASK |
                 UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
@@ -268,7 +269,7 @@ int AtomVecDPDKokkos::pack_comm_kokkos(const int &n,
   // Choose correct forward PackComm kernel
 
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecDPDKokkos_PackComm<LMPHostType,1,1> f(atomKK->k_x,
@@ -303,7 +304,7 @@ int AtomVecDPDKokkos::pack_comm_kokkos(const int &n,
       }
     }
   } else {
-    sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecDPDKokkos_PackComm<LMPDeviceType,1,1> f(atomKK->k_x,
@@ -410,8 +411,8 @@ struct AtomVecDPDKokkos_PackCommSelf {
 int AtomVecDPDKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list, const int & iswap,
                                                                                 const int nfirst, const int &pbc_flag, const int* const pbc) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
-    modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecDPDKokkos_PackCommSelf<LMPHostType,1,1> f(atomKK->k_x,
@@ -446,8 +447,8 @@ int AtomVecDPDKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list
       }
     }
   } else {
-    sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
-    modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecDPDKokkos_PackCommSelf<LMPDeviceType,1,1> f(atomKK->k_x,
@@ -528,15 +529,15 @@ struct AtomVecDPDKokkos_UnpackComm {
 void AtomVecDPDKokkos::unpack_comm_kokkos(const int &n, const int &first,
     const DAT::tdual_xfloat_2d &buf ) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
-    modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     struct AtomVecDPDKokkos_UnpackComm<LMPHostType> f(atomKK->k_x,
     atomKK->k_dpdTheta,atomKK->k_uCond,atomKK->k_uMech,atomKK->k_uChem,
     buf,first);
     Kokkos::parallel_for(n,f);
   } else {
-    sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
-    modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->sync(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+    atomKK->modified(Device,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
     struct AtomVecDPDKokkos_UnpackComm<LMPDeviceType> f(atomKK->k_x,
     atomKK->k_dpdTheta,atomKK->k_uCond,atomKK->k_uMech,atomKK->k_uChem,
     buf,first);
@@ -552,7 +553,7 @@ int AtomVecDPDKokkos::pack_comm(int n, int *list, double *buf,
   int i,j,m;
   double dx,dy,dz;
 
-  sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+  atomKK->sync(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -598,7 +599,7 @@ int AtomVecDPDKokkos::pack_comm_vel(int n, int *list, double *buf,
   int i,j,m;
   double dx,dy,dz,dvx,dvy,dvz;
 
-  sync(Host,X_MASK|V_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+  atomKK->sync(Host,X_MASK|V_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -685,7 +686,7 @@ void AtomVecDPDKokkos::unpack_comm(int n, int first, double *buf)
     h_uChem[i] = buf[m++];
   }
 
-  modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+  atomKK->modified(Host,X_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -709,7 +710,7 @@ void AtomVecDPDKokkos::unpack_comm_vel(int n, int first, double *buf)
     h_uChem[i] = buf[m++];
   }
 
-  modified(Host,X_MASK|V_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
+  atomKK->modified(Host,X_MASK|V_MASK|DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -717,7 +718,7 @@ void AtomVecDPDKokkos::unpack_comm_vel(int n, int first, double *buf)
 int AtomVecDPDKokkos::pack_reverse(int n, int first, double *buf)
 {
   if(n > 0)
-    sync(Host,F_MASK);
+    atomKK->sync(Host,F_MASK);
 
   int m = 0;
   const int last = first + n;
@@ -734,8 +735,8 @@ int AtomVecDPDKokkos::pack_reverse(int n, int first, double *buf)
 void AtomVecDPDKokkos::unpack_reverse(int n, int *list, double *buf)
 {
   if(n > 0) {
-    sync(Host,F_MASK);
-    modified(Host,F_MASK);
+    atomKK->sync(Host,F_MASK);
+    atomKK->modified(Host,F_MASK);
   }
 
   int m = 0;
@@ -819,7 +820,7 @@ int AtomVecDPDKokkos::pack_border_kokkos(int n, DAT::tdual_int_2d k_sendlist, DA
 {
   X_FLOAT dx,dy,dz;
 
-  sync(space,ALL_MASK);
+  atomKK->sync(space,ALL_MASK);
 
   if (pbc_flag != 0) {
     if (domain->triclinic == 0) {
@@ -876,7 +877,7 @@ int AtomVecDPDKokkos::pack_border(int n, int *list, double *buf,
   int i,j,m;
   double dx,dy,dz;
 
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -937,7 +938,7 @@ int AtomVecDPDKokkos::pack_border_vel(int n, int *list, double *buf,
   int i,j,m;
   double dx,dy,dz,dvx,dvy,dvz;
 
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -1032,7 +1033,7 @@ int AtomVecDPDKokkos::pack_comm_hybrid(int n, int *list, double *buf)
 {
   int i,j,m;
 
-  sync(Host,DPDTHETA_MASK | UCOND_MASK |
+  atomKK->sync(Host,DPDTHETA_MASK | UCOND_MASK |
             UMECH_MASK | UCHEM_MASK);
 
   m = 0;
@@ -1052,7 +1053,7 @@ int AtomVecDPDKokkos::pack_border_hybrid(int n, int *list, double *buf)
 {
   int i,j,m;
 
-  sync(Host,DPDTHETA_MASK | UCOND_MASK |
+  atomKK->sync(Host,DPDTHETA_MASK | UCOND_MASK |
             UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK);
 
   m = 0;
@@ -1127,11 +1128,11 @@ struct AtomVecDPDKokkos_UnpackBorder {
 
 void AtomVecDPDKokkos::unpack_border_kokkos(const int &n, const int &first,
                      const DAT::tdual_xfloat_2d &buf,ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
                  DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
                  UCG_MASK|UCGNEW_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
                  DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
                  UCG_MASK|UCGNEW_MASK|DVECTOR_MASK);
   if(space==Host) {
@@ -1179,7 +1180,7 @@ void AtomVecDPDKokkos::unpack_border(int n, int first, double *buf)
       m += modify->fix[atom->extra_border[iextra]]->
         unpack_border(n,first,&buf[m]);
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
                 DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
                 UCG_MASK|UCGNEW_MASK|DVECTOR_MASK);
 }
@@ -1217,7 +1218,7 @@ void AtomVecDPDKokkos::unpack_border_vel(int n, int first, double *buf)
       m += modify->fix[atom->extra_border[iextra]]->
         unpack_border(n,first,&buf[m]);
 
-  modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
                 DPDTHETA_MASK|UCOND_MASK|UMECH_MASK|UCHEM_MASK|
                 UCG_MASK|UCGNEW_MASK|DVECTOR_MASK);
 }
@@ -1237,7 +1238,7 @@ int AtomVecDPDKokkos::unpack_comm_hybrid(int n, int first, double *buf)
     h_uChem(i) = buf[m++];
   }
 
-  modified(Host,DPDTHETA_MASK | UCOND_MASK |
+  atomKK->modified(Host,DPDTHETA_MASK | UCOND_MASK |
                 UMECH_MASK | UCHEM_MASK );
 
   return m;
@@ -1260,7 +1261,7 @@ int AtomVecDPDKokkos::unpack_border_hybrid(int n, int first, double *buf)
     h_uCGnew(i) = buf[m++];
   }
 
-  modified(Host,DPDTHETA_MASK | UCOND_MASK |
+  atomKK->modified(Host,DPDTHETA_MASK | UCOND_MASK |
                 UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK);
 
   return m;
@@ -1384,7 +1385,7 @@ int AtomVecDPDKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d
     int newsize = nsend*17/k_buf.view<LMPHostType>().extent(1)+1;
     k_buf.resize(newsize,k_buf.view<LMPHostType>().extent(1));
   }
-  sync(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
              MASK_MASK | IMAGE_MASK| DPDTHETA_MASK | UCOND_MASK |
              UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK |
              DVECTOR_MASK);
@@ -1402,7 +1403,7 @@ int AtomVecDPDKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d
 
 int AtomVecDPDKokkos::pack_exchange(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK| DPDTHETA_MASK | UCOND_MASK |
             UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK |
             DVECTOR_MASK);
@@ -1518,7 +1519,7 @@ int AtomVecDPDKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int nre
     k_count.sync<LMPHostType>();
   }
 
-  modified(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                  MASK_MASK | IMAGE_MASK| DPDTHETA_MASK | UCOND_MASK |
                  UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK |
                  DVECTOR_MASK);
@@ -1556,7 +1557,7 @@ int AtomVecDPDKokkos::unpack_exchange(double *buf)
       m += modify->fix[atom->extra_grow[iextra]]->
         unpack_exchange(nlocal,&buf[m]);
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK| DPDTHETA_MASK | UCOND_MASK |
            UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK |
            DVECTOR_MASK);
@@ -1593,7 +1594,7 @@ int AtomVecDPDKokkos::size_restart()
 
 int AtomVecDPDKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
             UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
 
@@ -1658,7 +1659,7 @@ int AtomVecDPDKokkos::unpack_restart(double *buf)
     for (int i = 0; i < size; i++) extra[nlocal][i] = buf[m++];
   }
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK | DPDTHETA_MASK |
                 UCG_MASK | UCGNEW_MASK |
                 UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK);
diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp
index a6ae1e0cccebd8e87b9af5213e1583756c48347a..034da88f7391875169e47d928b585beceadb89fa 100644
--- a/src/KOKKOS/atom_vec_full_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_full_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -58,14 +58,15 @@ AtomVecFullKokkos::AtomVecFullKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecFullKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -123,7 +124,7 @@ void AtomVecFullKokkos::grow(int n)
                       atomKK->improper_per_atom,"atom:improper_atom4");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -608,9 +609,9 @@ struct AtomVecFullKokkos_UnpackBorder {
 void AtomVecFullKokkos::unpack_border_kokkos(const int &n, const int &first,
                                                   const DAT::tdual_xfloat_2d &buf,
                                                   ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
   if(space==Host) {
     struct AtomVecFullKokkos_UnpackBorder<LMPHostType>
       f(buf.view<LMPHostType>(),h_x,h_tag,h_type,h_mask,h_q,h_molecule,first);
@@ -632,7 +633,7 @@ void AtomVecFullKokkos::unpack_border(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -659,7 +660,7 @@ void AtomVecFullKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|Q_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -1204,7 +1205,7 @@ int AtomVecFullKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
            ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
@@ -1297,7 +1298,7 @@ int AtomVecFullKokkos::size_restart()
 
 int AtomVecFullKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
        MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
        ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
@@ -1370,10 +1371,10 @@ int AtomVecFullKokkos::unpack_restart(double *buf)
     if (atom->nextra_store)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
        MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
        ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
            ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
index ce36f590531167a429bd5e68a044eb576617213c..03cbe1ee5e66d27f5249018662cbd045c392d9f5 100644
--- a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
@@ -307,7 +307,7 @@ int AtomVecHybridKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf, int
 int AtomVecHybridKokkos::pack_comm(int n, int *list, double *buf,
                              int pbc_flag, int *pbc)
 {
-  sync(Host,X_MASK);
+  atomKK->sync(Host,X_MASK);
 
   int i,j,k,m;
   double dx,dy,dz;
@@ -351,7 +351,7 @@ int AtomVecHybridKokkos::pack_comm(int n, int *list, double *buf,
 int AtomVecHybridKokkos::pack_comm_vel(int n, int *list, double *buf,
                                  int pbc_flag, int *pbc)
 {
-  sync(Host,X_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->sync(Host,X_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
 
   int i,j,k,m;
   double dx,dy,dz,dvx,dvy,dvz;
@@ -463,7 +463,7 @@ void AtomVecHybridKokkos::unpack_comm(int n, int first, double *buf)
     h_x(i,2) = buf[m++];
   }
 
-  modified(Host,X_MASK);
+  atomKK->modified(Host,X_MASK);
 
   // unpack sub-style contributions as contiguous chunks
 
@@ -500,7 +500,7 @@ void AtomVecHybridKokkos::unpack_comm_vel(int n, int first, double *buf)
     }
   }
 
-  modified(Host,X_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->modified(Host,X_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
 
   // unpack sub-style contributions as contiguous chunks
 
@@ -512,7 +512,7 @@ void AtomVecHybridKokkos::unpack_comm_vel(int n, int first, double *buf)
 
 int AtomVecHybridKokkos::pack_reverse(int n, int first, double *buf)
 {
-  sync(Host,F_MASK);
+  atomKK->sync(Host,F_MASK);
 
   int i,k,m,last;
 
@@ -546,7 +546,7 @@ void AtomVecHybridKokkos::unpack_reverse(int n, int *list, double *buf)
     h_f(j,2) += buf[m++];
   }
 
-  modified(Host,F_MASK);
+  atomKK->modified(Host,F_MASK);
 
   // unpack sub-style contributions as contiguous chunks
 
@@ -559,7 +559,7 @@ void AtomVecHybridKokkos::unpack_reverse(int n, int *list, double *buf)
 int AtomVecHybridKokkos::pack_border(int n, int *list, double *buf,
                                int pbc_flag, int *pbc)
 {
-  sync(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+  atomKK->sync(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
 
   int i,j,k,m;
   double dx,dy,dz;
@@ -613,7 +613,7 @@ int AtomVecHybridKokkos::pack_border(int n, int *list, double *buf,
 int AtomVecHybridKokkos::pack_border_vel(int n, int *list, double *buf,
                                    int pbc_flag, int *pbc)
 {
-  sync(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->sync(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
   int i,j,k,m;
   double dx,dy,dz,dvx,dvy,dvz;
   int omega_flag = atom->omega_flag;
@@ -741,7 +741,7 @@ void AtomVecHybridKokkos::unpack_border(int n, int first, double *buf)
     h_mask[i] = (int) ubuf(buf[m++]).i;
   }
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK);
 
   // unpack sub-style contributions as contiguous chunks
 
@@ -787,7 +787,7 @@ void AtomVecHybridKokkos::unpack_border_vel(int n, int first, double *buf)
     }
   }
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
 
   // unpack sub-style contributions as contiguous chunks
 
@@ -969,7 +969,7 @@ void AtomVecHybridKokkos::create_atom(int itype, double *coord)
 
 void AtomVecHybridKokkos::data_atom(double *coord, imageint imagetmp, char **values)
 {
-  sync(Host,X_MASK|TAG_MASK|TYPE_MASK|IMAGE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->sync(Host,X_MASK|TAG_MASK|TYPE_MASK|IMAGE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
 
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
@@ -1000,7 +1000,7 @@ void AtomVecHybridKokkos::data_atom(double *coord, imageint imagetmp, char **val
     h_angmom(nlocal,2) = 0.0;
   }
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|IMAGE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|IMAGE_MASK|MASK_MASK|V_MASK|OMEGA_MASK/*|ANGMOM_MASK*/);
 
   // each sub-style parses sub-style specific values
 
@@ -1017,13 +1017,13 @@ void AtomVecHybridKokkos::data_atom(double *coord, imageint imagetmp, char **val
 
 void AtomVecHybridKokkos::data_vel(int m, char **values)
 {
-  sync(Host,V_MASK);
+  atomKK->sync(Host,V_MASK);
 
   h_v(m,0) = atof(values[0]);
   h_v(m,1) = atof(values[1]);
   h_v(m,2) = atof(values[2]);
 
-  modified(Host,V_MASK);
+  atomKK->modified(Host,V_MASK);
 
   // each sub-style parses sub-style specific values
 
@@ -1038,7 +1038,7 @@ void AtomVecHybridKokkos::data_vel(int m, char **values)
 
 void AtomVecHybridKokkos::pack_data(double **buf)
 {
-  sync(Host,TAG_MASK|TYPE_MASK|X_MASK);
+  atomKK->sync(Host,TAG_MASK|TYPE_MASK|X_MASK);
 
   int k,m;
 
@@ -1089,7 +1089,7 @@ void AtomVecHybridKokkos::write_data(FILE *fp, int n, double **buf)
 
 void AtomVecHybridKokkos::pack_vel(double **buf)
 {
-  sync(Host,V_MASK);
+  atomKK->sync(Host,V_MASK);
 
   int k,m;
 
diff --git a/src/KOKKOS/atom_vec_kokkos.cpp b/src/KOKKOS/atom_vec_kokkos.cpp
index 83af437ebaaecb97a9af0ed8dedaee6842734638..7d5df175441aae6106b626c587808ff68f996493 100644
--- a/src/KOKKOS/atom_vec_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_kokkos.cpp
@@ -267,6 +267,114 @@ int AtomVecKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d &list, c
         return n*3;
 }
 
+
+/* ---------------------------------------------------------------------- */
+
+template<class DeviceType,int TRICLINIC>
+struct AtomVecKokkos_PackCommSelfFused {
+  typedef DeviceType device_type;
+
+  typename ArrayTypes<DeviceType>::t_x_array_randomread _x;
+  typename ArrayTypes<DeviceType>::t_x_array _xw;
+  typename ArrayTypes<DeviceType>::t_int_2d_const _list;
+  typename ArrayTypes<DeviceType>::t_int_2d_const _pbc;
+  typename ArrayTypes<DeviceType>::t_int_1d_const _pbc_flag;
+  typename ArrayTypes<DeviceType>::t_int_1d_const _firstrecv;
+  typename ArrayTypes<DeviceType>::t_int_1d_const _sendnum_scan;
+  typename ArrayTypes<DeviceType>::t_int_1d_const _g2l;
+  X_FLOAT _xprd,_yprd,_zprd,_xy,_xz,_yz;
+
+  AtomVecKokkos_PackCommSelfFused(
+      const typename DAT::tdual_x_array &x,
+      const typename DAT::tdual_int_2d &list,
+      const typename DAT::tdual_int_2d &pbc,
+      const typename DAT::tdual_int_1d &pbc_flag,
+      const typename DAT::tdual_int_1d &firstrecv,
+      const typename DAT::tdual_int_1d &sendnum_scan,
+      const typename DAT::tdual_int_1d &g2l,
+      const X_FLOAT &xprd, const X_FLOAT &yprd, const X_FLOAT &zprd,
+      const X_FLOAT &xy, const X_FLOAT &xz, const X_FLOAT &yz):
+      _x(x.view<DeviceType>()),_xw(x.view<DeviceType>()),
+      _list(list.view<DeviceType>()),
+      _pbc(pbc.view<DeviceType>()),
+      _pbc_flag(pbc_flag.view<DeviceType>()),
+      _firstrecv(firstrecv.view<DeviceType>()),
+      _sendnum_scan(sendnum_scan.view<DeviceType>()),
+      _g2l(g2l.view<DeviceType>()),
+      _xprd(xprd),_yprd(yprd),_zprd(zprd),
+      _xy(xy),_xz(xz),_yz(yz) {};
+
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int& ii) const {
+
+    int iswap = 0;
+    while (ii >= _sendnum_scan[iswap]) iswap++;
+    int i = ii;
+    if (iswap > 0)
+      i = ii - _sendnum_scan[iswap-1];
+
+    const int _nfirst = _firstrecv[iswap];
+    const int nlocal = _firstrecv[0];
+
+    int j = _list(iswap,i);
+    if (j >= nlocal)
+      j = _g2l(j-nlocal);
+
+    if (_pbc_flag(ii) == 0) {
+        _xw(i+_nfirst,0) = _x(j,0);
+        _xw(i+_nfirst,1) = _x(j,1);
+        _xw(i+_nfirst,2) = _x(j,2);
+    } else {
+      if (TRICLINIC == 0) {
+        _xw(i+_nfirst,0) = _x(j,0) + _pbc(ii,0)*_xprd;
+        _xw(i+_nfirst,1) = _x(j,1) + _pbc(ii,1)*_yprd;
+        _xw(i+_nfirst,2) = _x(j,2) + _pbc(ii,2)*_zprd;
+      } else {
+        _xw(i+_nfirst,0) = _x(j,0) + _pbc(ii,0)*_xprd + _pbc(ii,5)*_xy + _pbc(ii,4)*_xz;
+        _xw(i+_nfirst,1) = _x(j,1) + _pbc(ii,1)*_yprd + _pbc(ii,3)*_yz;
+        _xw(i+_nfirst,2) = _x(j,2) + _pbc(ii,2)*_zprd;
+      }
+    }
+  }
+};
+
+/* ---------------------------------------------------------------------- */
+
+int AtomVecKokkos::pack_comm_self_fused(const int &n, const DAT::tdual_int_2d &list, const DAT::tdual_int_1d &sendnum_scan,
+                                         const DAT::tdual_int_1d &firstrecv, const DAT::tdual_int_1d &pbc_flag, const DAT::tdual_int_2d &pbc,
+                                         const DAT::tdual_int_1d &g2l) {
+  if(commKK->forward_comm_on_host) {
+    sync(Host,X_MASK);
+    modified(Host,X_MASK);
+    if(domain->triclinic) {
+    struct AtomVecKokkos_PackCommSelfFused<LMPHostType,1> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
+        domain->xprd,domain->yprd,domain->zprd,
+        domain->xy,domain->xz,domain->yz);
+    Kokkos::parallel_for(n,f);
+    } else {
+    struct AtomVecKokkos_PackCommSelfFused<LMPHostType,0> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
+        domain->xprd,domain->yprd,domain->zprd,
+        domain->xy,domain->xz,domain->yz);
+    Kokkos::parallel_for(n,f);
+    }
+  } else {
+    sync(Device,X_MASK);
+    modified(Device,X_MASK);
+    if(domain->triclinic) {
+    struct AtomVecKokkos_PackCommSelfFused<LMPDeviceType,1> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
+        domain->xprd,domain->yprd,domain->zprd,
+        domain->xy,domain->xz,domain->yz);
+    Kokkos::parallel_for(n,f);
+    } else {
+    struct AtomVecKokkos_PackCommSelfFused<LMPDeviceType,0> f(atomKK->k_x,list,pbc,pbc_flag,firstrecv,sendnum_scan,g2l,
+        domain->xprd,domain->yprd,domain->zprd,
+        domain->xy,domain->xz,domain->yz);
+    Kokkos::parallel_for(n,f);
+    }
+  }
+  return n*3;
+}
+
 /* ---------------------------------------------------------------------- */
 
 template<class DeviceType>
diff --git a/src/KOKKOS/atom_vec_kokkos.h b/src/KOKKOS/atom_vec_kokkos.h
index efe55c47ad00215fc94f5fe8b3c231bd85d5de38..0474a2380aea57850d14d8cb211f3c2df5b257d1 100644
--- a/src/KOKKOS/atom_vec_kokkos.h
+++ b/src/KOKKOS/atom_vec_kokkos.h
@@ -51,6 +51,14 @@ class AtomVecKokkos : public AtomVec {
                    const int & iswap, const int nfirst,
                    const int &pbc_flag, const int pbc[]);
 
+  virtual int
+    pack_comm_self_fused(const int &n, const DAT::tdual_int_2d &list,
+                         const DAT::tdual_int_1d &sendnum_scan,
+                         const DAT::tdual_int_1d &firstrecv,
+                         const DAT::tdual_int_1d &pbc_flag,
+                         const DAT::tdual_int_2d &pbc,
+                         const DAT::tdual_int_1d &g2l);
+
   virtual int
     pack_comm_kokkos(const int &n, const DAT::tdual_int_2d &list,
                      const int & iswap, const DAT::tdual_xfloat_2d &buf,
@@ -125,7 +133,7 @@ class AtomVecKokkos : public AtomVec {
   size_t buffer_size;
   void* buffer;
 
-  #ifdef KOKKOS_HAVE_CUDA
+  #ifdef KOKKOS_ENABLE_CUDA
   template<class ViewType>
   Kokkos::View<typename ViewType::data_type,
                typename ViewType::array_layout,
@@ -139,11 +147,11 @@ class AtomVecKokkos : public AtomVec {
                    Kokkos::CudaHostPinnedSpace,typename ViewType::memory_space>::type,
                  Kokkos::MemoryTraits<Kokkos::Unmanaged> > mirror_type;
     if (buffer_size == 0) {
-       buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.capacity());
-       buffer_size = src.capacity();
-    } else if (buffer_size < src.capacity()) {
-       buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.capacity());
-       buffer_size = src.capacity();
+       buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.span());
+       buffer_size = src.span();
+    } else if (buffer_size < src.span()) {
+       buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.span());
+       buffer_size = src.span();
     }
     return mirror_type( buffer ,
                              src.extent(0) ,
@@ -157,7 +165,7 @@ class AtomVecKokkos : public AtomVec {
   }
 
   template<class ViewType>
-  void perform_async_copy(const ViewType& src, unsigned int space) {
+  void perform_async_copy(ViewType& src, unsigned int space) {
     typedef Kokkos::View<typename ViewType::data_type,
                  typename ViewType::array_layout,
                  typename std::conditional<
@@ -165,11 +173,11 @@ class AtomVecKokkos : public AtomVec {
                    Kokkos::CudaHostPinnedSpace,typename ViewType::memory_space>::type,
                  Kokkos::MemoryTraits<Kokkos::Unmanaged> > mirror_type;
     if (buffer_size == 0) {
-       buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.capacity()*sizeof(typename ViewType::value_type));
-       buffer_size = src.capacity();
-    } else if (buffer_size < src.capacity()) {
-       buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.capacity()*sizeof(typename ViewType::value_type));
-       buffer_size = src.capacity();
+       buffer = Kokkos::kokkos_malloc<Kokkos::CudaHostPinnedSpace>(src.span()*sizeof(typename ViewType::value_type));
+       buffer_size = src.span();
+    } else if (buffer_size < src.span()) {
+       buffer = Kokkos::kokkos_realloc<Kokkos::CudaHostPinnedSpace>(buffer,src.span()*sizeof(typename ViewType::value_type));
+       buffer_size = src.span();
     }
     mirror_type tmp_view( (typename ViewType::value_type*)buffer ,
                              src.extent(0) ,
@@ -183,11 +191,11 @@ class AtomVecKokkos : public AtomVec {
     if(space == Device) {
       Kokkos::deep_copy(LMPHostType(),tmp_view,src.h_view),
       Kokkos::deep_copy(LMPHostType(),src.d_view,tmp_view);
-      src.modified_device() = src.modified_host();
+      src.clear_sync_state();
     } else {
       Kokkos::deep_copy(LMPHostType(),tmp_view,src.d_view),
       Kokkos::deep_copy(LMPHostType(),src.h_view,tmp_view);
-      src.modified_device() = src.modified_host();
+      src.clear_sync_state();
     }
   }
   #else
diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.cpp b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
index 9537320976298f4bf2a17cc0bd3bb6e93b703a76..9ac8ecd264d15fc31cf55ea2d91b804f77224cd5 100644
--- a/src/KOKKOS/atom_vec_molecular_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
@@ -24,7 +24,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 /* ---------------------------------------------------------------------- */
 
@@ -58,14 +58,15 @@ AtomVecMolecularKokkos::AtomVecMolecularKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
 
 void AtomVecMolecularKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atomKK->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -121,7 +122,7 @@ void AtomVecMolecularKokkos::grow(int n)
                       atomKK->improper_per_atom,"atom:improper_atom4");
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -361,7 +362,7 @@ int AtomVecMolecularKokkos::pack_comm_kokkos(const int &n,
   // Choose correct forward PackComm kernel
 
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecMolecularKokkos_PackComm<LMPHostType,1,1>
@@ -388,7 +389,7 @@ int AtomVecMolecularKokkos::pack_comm_kokkos(const int &n,
       }
     }
   } else {
-    sync(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecMolecularKokkos_PackComm<LMPDeviceType,1,1>
@@ -477,8 +478,8 @@ int AtomVecMolecularKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d
                                            const int nfirst, const int &pbc_flag,
                                            const int* const pbc) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
-    modified(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
+    atomKK->modified(Host,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecMolecularKokkos_PackCommSelf<LMPHostType,1,1>
@@ -505,8 +506,8 @@ int AtomVecMolecularKokkos::pack_comm_self(const int &n, const DAT::tdual_int_2d
       }
     }
   } else {
-    sync(Device,X_MASK);
-    modified(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
+    atomKK->modified(Device,X_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
       struct AtomVecMolecularKokkos_PackCommSelf<LMPDeviceType,1,1>
@@ -565,13 +566,13 @@ struct AtomVecMolecularKokkos_UnpackComm {
 void AtomVecMolecularKokkos::unpack_comm_kokkos(const int &n, const int &first,
     const DAT::tdual_xfloat_2d &buf ) {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK);
-    modified(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
+    atomKK->modified(Host,X_MASK);
     struct AtomVecMolecularKokkos_UnpackComm<LMPHostType> f(atomKK->k_x,buf,first);
     Kokkos::parallel_for(n,f);
   } else {
-    sync(Device,X_MASK);
-    modified(Device,X_MASK);
+    atomKK->sync(Device,X_MASK);
+    atomKK->modified(Device,X_MASK);
     struct AtomVecMolecularKokkos_UnpackComm<LMPDeviceType> f(atomKK->k_x,buf,first);
     Kokkos::parallel_for(n,f);
   }
@@ -714,7 +715,7 @@ void AtomVecMolecularKokkos::unpack_comm_vel(int n, int first, double *buf)
 int AtomVecMolecularKokkos::pack_reverse(int n, int first, double *buf)
 {
   if(n > 0)
-    sync(Host,F_MASK);
+    atomKK->sync(Host,F_MASK);
 
   int m = 0;
   const int last = first + n;
@@ -731,7 +732,7 @@ int AtomVecMolecularKokkos::pack_reverse(int n, int first, double *buf)
 void AtomVecMolecularKokkos::unpack_reverse(int n, int *list, double *buf)
 {
   if(n > 0)
-    modified(Host,F_MASK);
+    atomKK->modified(Host,F_MASK);
 
   int m = 0;
   for (int i = 0; i < n; i++) {
@@ -1032,9 +1033,9 @@ struct AtomVecMolecularKokkos_UnpackBorder {
 void AtomVecMolecularKokkos::unpack_border_kokkos(const int &n, const int &first,
                                                   const DAT::tdual_xfloat_2d &buf,
                                                   ExecutionSpace space) {
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   while (first+n >= nmax) grow(0);
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
   if(space==Host) {
     struct AtomVecMolecularKokkos_UnpackBorder<LMPHostType>
       f(buf.view<LMPHostType>(),h_x,h_tag,h_type,h_mask,h_molecule,first);
@@ -1056,7 +1057,7 @@ void AtomVecMolecularKokkos::unpack_border(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -1082,7 +1083,7 @@ void AtomVecMolecularKokkos::unpack_border_vel(int n, int first, double *buf)
   last = first + n;
   for (i = first; i < last; i++) {
     if (i == nmax) grow(0);
-    modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK);
     h_x(i,0) = buf[m++];
     h_x(i,1) = buf[m++];
     h_x(i,2) = buf[m++];
@@ -1615,7 +1616,7 @@ int AtomVecMolecularKokkos::unpack_exchange(double *buf)
 {
   int nlocal = atom->nlocal;
   if (nlocal == nmax) grow(0);
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
            ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
@@ -1707,7 +1708,7 @@ int AtomVecMolecularKokkos::size_restart()
 
 int AtomVecMolecularKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
        MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
        ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
@@ -1780,7 +1781,7 @@ int AtomVecMolecularKokkos::unpack_restart(double *buf)
       memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
   }
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
            ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
 
diff --git a/src/KOKKOS/atom_vec_sphere_kokkos.cpp b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
index f05e8d09df5d832f59f9fdbffaca127df29c8117..9e8388488f2702217c775192c7d26349e06447af 100644
--- a/src/KOKKOS/atom_vec_sphere_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
@@ -30,7 +30,7 @@
 
 using namespace LAMMPS_NS;
 
-#define DELTA 10000
+#define DELTA 10
 
 static const double MY_PI  = 3.14159265358979323846; // pi
 
@@ -93,14 +93,15 @@ void AtomVecSphereKokkos::init()
 
 void AtomVecSphereKokkos::grow(int n)
 {
-  if (n == 0) nmax += DELTA;
+  int step = MAX(DELTA,nmax*0.01);
+  if (n == 0) nmax += step;
   else nmax = n;
   atom->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT)
     error->one(FLERR,"Per-processor system is too big");
 
-  sync(Device,ALL_MASK);
-  modified(Device,ALL_MASK);
+  atomKK->sync(Device,ALL_MASK);
+  atomKK->modified(Device,ALL_MASK);
 
   memoryKK->grow_kokkos(atomKK->k_tag,atomKK->tag,nmax,"atom:tag");
   memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
@@ -120,7 +121,7 @@ void AtomVecSphereKokkos::grow(int n)
       modify->fix[atom->extra_grow[iextra]]->grow_arrays(nmax);
 
   grow_reset();
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 }
 
 /* ----------------------------------------------------------------------
@@ -172,7 +173,7 @@ void AtomVecSphereKokkos::grow_reset()
 
 void AtomVecSphereKokkos::copy(int i, int j, int delflag)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | RADIUS_MASK |
             RMASS_MASK | OMEGA_MASK);
 
@@ -197,7 +198,7 @@ void AtomVecSphereKokkos::copy(int i, int j, int delflag)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
       modify->fix[atom->extra_grow[iextra]]->copy_arrays(i,j,delflag);
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK | RADIUS_MASK |
                 RMASS_MASK | OMEGA_MASK);
 }
@@ -277,7 +278,7 @@ int AtomVecSphereKokkos::pack_comm_kokkos(
   // Check whether to always run forward communication on the host
   // Choose correct forward PackComm kernel
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecSphereKokkos_PackComm<LMPHostType,1,1> f(
@@ -316,7 +317,7 @@ int AtomVecSphereKokkos::pack_comm_kokkos(
       }
     }
   } else {
-    sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
         struct AtomVecSphereKokkos_PackComm<LMPDeviceType,1,1> f(
@@ -464,7 +465,7 @@ int AtomVecSphereKokkos::pack_comm_vel_kokkos(
   const int* const pbc)
 {
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
     if(pbc_flag) {
       if(deform_vremap) {
         if(domain->triclinic) {
@@ -595,7 +596,7 @@ int AtomVecSphereKokkos::pack_comm_vel_kokkos(
       }
     }
   } else {
-    sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
     if(pbc_flag) {
       if(deform_vremap) {
         if(domain->triclinic) {
@@ -795,8 +796,8 @@ int AtomVecSphereKokkos::pack_comm_self(
   if (radvary == 0)
     return AtomVecKokkos::pack_comm_self(n,list,iswap,nfirst,pbc_flag,pbc);
   if(commKK->forward_comm_on_host) {
-    sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
-    modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
 	struct AtomVecSphereKokkos_PackCommSelf<LMPHostType,1,1> f(
@@ -835,8 +836,8 @@ int AtomVecSphereKokkos::pack_comm_self(
       }
     }
   } else {
-    sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
-    modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->sync(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
     if(pbc_flag) {
       if(domain->triclinic) {
 	struct AtomVecSphereKokkos_PackCommSelf<LMPDeviceType,1,1> f(
@@ -926,14 +927,14 @@ void AtomVecSphereKokkos::unpack_comm_kokkos(
     return;
   }
   if(commKK->forward_comm_on_host) {
-    modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
     struct AtomVecSphereKokkos_UnpackComm<LMPHostType> f(
       atomKK->k_x,
       atomKK->k_radius,atomKK->k_rmass,
       buf,first);
     Kokkos::parallel_for(n,f);
   } else {
-    modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK);
     struct AtomVecSphereKokkos_UnpackComm<LMPDeviceType> f(
       atomKK->k_x,
       atomKK->k_radius,atomKK->k_rmass,
@@ -998,7 +999,7 @@ void AtomVecSphereKokkos::unpack_comm_vel_kokkos(
   const int &n, const int &first,
   const DAT::tdual_xfloat_2d &buf ) {
   if(commKK->forward_comm_on_host) {
-    modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
     if (radvary == 0) {
       struct AtomVecSphereKokkos_UnpackCommVel<LMPHostType,0> f(
         atomKK->k_x,
@@ -1015,7 +1016,7 @@ void AtomVecSphereKokkos::unpack_comm_vel_kokkos(
       Kokkos::parallel_for(n,f);
     }
   } else {
-    modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->modified(Device,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
     if (radvary == 0) {
       struct AtomVecSphereKokkos_UnpackCommVel<LMPDeviceType,0> f(
         atomKK->k_x,
@@ -1044,7 +1045,7 @@ int AtomVecSphereKokkos::pack_comm(int n, int *list, double *buf,
 
   if (radvary == 0) {
     // Not sure if we need to call sync for X here
-    sync(Host,X_MASK);
+    atomKK->sync(Host,X_MASK);
     m = 0;
     if (pbc_flag == 0) {
       for (i = 0; i < n; i++) {
@@ -1071,7 +1072,7 @@ int AtomVecSphereKokkos::pack_comm(int n, int *list, double *buf,
       }
     }
   } else {
-    sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
     m = 0;
     if (pbc_flag == 0) {
       for (i = 0; i < n; i++) {
@@ -1115,7 +1116,7 @@ int AtomVecSphereKokkos::pack_comm_vel(int n, int *list, double *buf,
   double dx,dy,dz,dvx,dvy,dvz;
 
   if (radvary == 0) {
-    sync(Host,X_MASK|V_MASK|OMEGA_MASK);
+    atomKK->sync(Host,X_MASK|V_MASK|OMEGA_MASK);
     m = 0;
     if (pbc_flag == 0) {
       for (i = 0; i < n; i++) {
@@ -1178,7 +1179,7 @@ int AtomVecSphereKokkos::pack_comm_vel(int n, int *list, double *buf,
       }
     }
   } else {
-    sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
     m = 0;
     if (pbc_flag == 0) {
       for (i = 0; i < n; i++) {
@@ -1257,7 +1258,7 @@ int AtomVecSphereKokkos::pack_comm_hybrid(int n, int *list, double *buf)
 {
   if (radvary == 0) return 0;
 
-  sync(Host,RADIUS_MASK|RMASS_MASK);
+  atomKK->sync(Host,RADIUS_MASK|RMASS_MASK);
 
   int m = 0;
   for (int i = 0; i < n; i++) {
@@ -1280,7 +1281,7 @@ void AtomVecSphereKokkos::unpack_comm(int n, int first, double *buf)
       h_x(i,1) = buf[m++];
       h_x(i,2) = buf[m++];
     }
-    modified(Host,X_MASK);
+    atomKK->modified(Host,X_MASK);
   } else {
     int m = 0;
     const int last = first + n;
@@ -1291,7 +1292,7 @@ void AtomVecSphereKokkos::unpack_comm(int n, int first, double *buf)
       h_radius[i] = buf[m++];
       h_rmass[i] = buf[m++];
     }
-    modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
+    atomKK->modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
   }
 }
 
@@ -1313,7 +1314,7 @@ void AtomVecSphereKokkos::unpack_comm_vel(int n, int first, double *buf)
       h_omega(i,1) = buf[m++];
       h_omega(i,2) = buf[m++];
     }
-    modified(Host,X_MASK|V_MASK|OMEGA_MASK);
+    atomKK->modified(Host,X_MASK|V_MASK|OMEGA_MASK);
   } else {
     int m = 0;
     const int last = first + n;
@@ -1330,7 +1331,7 @@ void AtomVecSphereKokkos::unpack_comm_vel(int n, int first, double *buf)
       h_omega(i,1) = buf[m++];
       h_omega(i,2) = buf[m++];
     }
-    modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+    atomKK->modified(Host,X_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
   }
 }
 
@@ -1346,7 +1347,7 @@ int AtomVecSphereKokkos::unpack_comm_hybrid(int n, int first, double *buf)
     h_radius[i] = buf[m++];
     h_rmass[i] = buf[m++];
   }
-  modified(Host,RADIUS_MASK|RMASS_MASK);
+  atomKK->modified(Host,RADIUS_MASK|RMASS_MASK);
   return m;
 }
 
@@ -1355,7 +1356,7 @@ int AtomVecSphereKokkos::unpack_comm_hybrid(int n, int first, double *buf)
 int AtomVecSphereKokkos::pack_reverse(int n, int first, double *buf)
 {
   if(n > 0)
-    sync(Host,F_MASK|TORQUE_MASK);
+    atomKK->sync(Host,F_MASK|TORQUE_MASK);
 
   int m = 0;
   const int last = first + n;
@@ -1375,7 +1376,7 @@ int AtomVecSphereKokkos::pack_reverse(int n, int first, double *buf)
 int AtomVecSphereKokkos::pack_reverse_hybrid(int n, int first, double *buf)
 {
   if(n > 0)
-    sync(Host,TORQUE_MASK);
+    atomKK->sync(Host,TORQUE_MASK);
 
   int m = 0;
   const int last = first + n;
@@ -1392,7 +1393,7 @@ int AtomVecSphereKokkos::pack_reverse_hybrid(int n, int first, double *buf)
 void AtomVecSphereKokkos::unpack_reverse(int n, int *list, double *buf)
 {
   if(n > 0) {
-    modified(Host,F_MASK|TORQUE_MASK);
+    atomKK->modified(Host,F_MASK|TORQUE_MASK);
   }
 
   int m = 0;
@@ -1412,7 +1413,7 @@ void AtomVecSphereKokkos::unpack_reverse(int n, int *list, double *buf)
 int AtomVecSphereKokkos::unpack_reverse_hybrid(int n, int *list, double *buf)
 {
   if(n > 0) {
-    modified(Host,TORQUE_MASK);
+    atomKK->modified(Host,TORQUE_MASK);
   }
 
   int m = 0;
@@ -1492,7 +1493,7 @@ int AtomVecSphereKokkos::pack_border_kokkos(
   X_FLOAT dx,dy,dz;
 
   // This was in atom_vec_dpd_kokkos but doesn't appear in any other atom_vec
-  sync(space,ALL_MASK);
+  atomKK->sync(space,ALL_MASK);
 
   if (pbc_flag != 0) {
     if (domain->triclinic == 0) {
@@ -1549,7 +1550,7 @@ int AtomVecSphereKokkos::pack_border(
   int i,j,m;
   double dx,dy,dz;
 
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -1686,7 +1687,7 @@ int AtomVecSphereKokkos::pack_border_vel_kokkos(
   X_FLOAT dvx=0,dvy=0,dvz=0;
 
   // This was in atom_vec_dpd_kokkos but doesn't appear in any other atom_vec
-  sync(space,ALL_MASK);
+  atomKK->sync(space,ALL_MASK);
 
   if (pbc_flag != 0) {
     if (domain->triclinic == 0) {
@@ -1776,7 +1777,7 @@ int AtomVecSphereKokkos::pack_border_vel(int n, int *list, double *buf,
   int i,j,m;
   double dx,dy,dz,dvx,dvy,dvz;
 
-  sync(Host,ALL_MASK);
+  atomKK->sync(Host,ALL_MASK);
 
   m = 0;
   if (pbc_flag == 0) {
@@ -1866,7 +1867,7 @@ int AtomVecSphereKokkos::pack_border_vel(int n, int *list, double *buf,
 
 int AtomVecSphereKokkos::pack_border_hybrid(int n, int *list, double *buf)
 {
-  sync(Host,RADIUS_MASK|RMASS_MASK);
+  atomKK->sync(Host,RADIUS_MASK|RMASS_MASK);
 
   int m = 0;
   for (int i = 0; i < n; i++) {
@@ -1942,7 +1943,7 @@ void AtomVecSphereKokkos::unpack_border_kokkos(const int &n, const int &first,
     Kokkos::parallel_for(n,f);
   }
 
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
 	         RADIUS_MASK|RMASS_MASK);
 }
 
@@ -1969,7 +1970,7 @@ void AtomVecSphereKokkos::unpack_border(int n, int first, double *buf)
       m += modify->fix[atom->extra_border[iextra]]->
         unpack_border(n,first,&buf[m]);
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|RADIUS_MASK|RMASS_MASK);
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|RADIUS_MASK|RMASS_MASK);
 }
 
 
@@ -2052,7 +2053,7 @@ void AtomVecSphereKokkos::unpack_border_vel_kokkos(
     Kokkos::parallel_for(n,f);
   }
 
-  modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
+  atomKK->modified(space,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|
 	         RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
 }
 
@@ -2085,7 +2086,7 @@ void AtomVecSphereKokkos::unpack_border_vel(int n, int first, double *buf)
       m += modify->fix[atom->extra_border[iextra]]->
         unpack_border(n,first,&buf[m]);
 
-  modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
+  atomKK->modified(Host,X_MASK|TAG_MASK|TYPE_MASK|MASK_MASK|RADIUS_MASK|RMASS_MASK|V_MASK|OMEGA_MASK);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -2098,7 +2099,7 @@ int AtomVecSphereKokkos::unpack_border_hybrid(int n, int first, double *buf)
     h_radius[i] = buf[m++];
     h_rmass[i] = buf[m++];
   }
-  modified(Host,RADIUS_MASK|RMASS_MASK);
+  atomKK->modified(Host,RADIUS_MASK|RMASS_MASK);
   return m;
 }
 
@@ -2218,7 +2219,7 @@ int AtomVecSphereKokkos::pack_exchange_kokkos(
     int newsize = nsend*17/k_buf.view<LMPHostType>().extent(1)+1;
     k_buf.resize(newsize,k_buf.view<LMPHostType>().extent(1));
   }
-  sync(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
              MASK_MASK | IMAGE_MASK| RADIUS_MASK | RMASS_MASK |
              OMEGA_MASK);
 
@@ -2239,7 +2240,7 @@ int AtomVecSphereKokkos::pack_exchange_kokkos(
 
 int AtomVecSphereKokkos::pack_exchange(int i, double *buf)
 {
-  sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK| RADIUS_MASK | RMASS_MASK |
             OMEGA_MASK);
 
@@ -2354,7 +2355,7 @@ int AtomVecSphereKokkos::unpack_exchange_kokkos(DAT::tdual_xfloat_2d &k_buf,int
     k_count.sync<LMPHostType>();
   }
 
-  modified(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(space,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
                  MASK_MASK | IMAGE_MASK| RADIUS_MASK | RMASS_MASK |
                  OMEGA_MASK);
 
@@ -2391,7 +2392,7 @@ int AtomVecSphereKokkos::unpack_exchange(double *buf)
       m += modify->fix[atom->extra_grow[iextra]]->
         unpack_exchange(nlocal,&buf[m]);
 
-  modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
            MASK_MASK | IMAGE_MASK | RADIUS_MASK | RMASS_MASK |
            OMEGA_MASK);
 
@@ -2427,7 +2428,7 @@ int AtomVecSphereKokkos::size_restart()
 
 int AtomVecSphereKokkos::pack_restart(int i, double *buf)
 {
-  sync(Host,X_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->sync(Host,X_MASK | TAG_MASK | TYPE_MASK |
             MASK_MASK | IMAGE_MASK | V_MASK |
             RADIUS_MASK | RMASS_MASK | OMEGA_MASK);
 
@@ -2494,7 +2495,7 @@ int AtomVecSphereKokkos::unpack_restart(double *buf)
     for (int i = 0; i < size; i++) extra[nlocal][i] = buf[m++];
   }
 
-  modified(Host,X_MASK | TAG_MASK | TYPE_MASK |
+  atomKK->modified(Host,X_MASK | TAG_MASK | TYPE_MASK |
                 MASK_MASK | IMAGE_MASK | V_MASK |
 	        RADIUS_MASK | RMASS_MASK | OMEGA_MASK);
 
@@ -2616,14 +2617,14 @@ int AtomVecSphereKokkos::data_atom_hybrid(int nlocal, char **values)
 
 void AtomVecSphereKokkos::data_vel(int m, char **values)
 {
-  sync(Host,V_MASK|OMEGA_MASK);
+  atomKK->sync(Host,V_MASK|OMEGA_MASK);
   h_v(m,0) = atof(values[0]);
   h_v(m,1) = atof(values[1]);
   h_v(m,2) = atof(values[2]);
   h_omega(m,0) = atof(values[3]);
   h_omega(m,1) = atof(values[4]);
   h_omega(m,2) = atof(values[5]);
-  modified(Host,V_MASK|OMEGA_MASK);
+  atomKK->modified(Host,V_MASK|OMEGA_MASK);
 }
 
 /* ----------------------------------------------------------------------
@@ -2632,11 +2633,11 @@ void AtomVecSphereKokkos::data_vel(int m, char **values)
 
 int AtomVecSphereKokkos::data_vel_hybrid(int m, char **values)
 {
-  sync(Host,OMEGA_MASK);
+  atomKK->sync(Host,OMEGA_MASK);
   omega[m][0] = atof(values[0]);
   omega[m][1] = atof(values[1]);
   omega[m][2] = atof(values[2]);
-  modified(Host,OMEGA_MASK);
+  atomKK->modified(Host,OMEGA_MASK);
   return 3;
 }
 
@@ -2711,7 +2712,7 @@ int AtomVecSphereKokkos::write_data_hybrid(FILE *fp, double *buf)
 
 void AtomVecSphereKokkos::pack_vel(double **buf)
 {
-  sync(Host,TAG_MASK|V_MASK|OMEGA_MASK);
+  atomKK->sync(Host,TAG_MASK|V_MASK|OMEGA_MASK);
 
   int nlocal = atom->nlocal;
   for (int i = 0; i < nlocal; i++) {
@@ -2731,7 +2732,7 @@ void AtomVecSphereKokkos::pack_vel(double **buf)
 
 int AtomVecSphereKokkos::pack_vel_hybrid(int i, double *buf)
 {
-  sync(Host,OMEGA_MASK);
+  atomKK->sync(Host,OMEGA_MASK);
 
   buf[0] = h_omega(i,0);
   buf[1] = h_omega(i,1);
diff --git a/src/KOKKOS/bond_class2_kokkos.cpp b/src/KOKKOS/bond_class2_kokkos.cpp
index cb625f06c161ca1ef897f600458db3586064c43a..798fb41c920544a3674f5b5def85d4b044acf32b 100644
--- a/src/KOKKOS/bond_class2_kokkos.cpp
+++ b/src/KOKKOS/bond_class2_kokkos.cpp
@@ -60,8 +60,7 @@ void BondClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -366,7 +365,7 @@ void BondClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const in
 
 namespace LAMMPS_NS {
 template class BondClass2Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class BondClass2Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/bond_fene_kokkos.cpp b/src/KOKKOS/bond_fene_kokkos.cpp
index 4342223f7ee448bc0e01d25ac1cd876a412db1b4..b5cdc1a05a5042d9197ba95001cfa4d29ecb2c6a 100644
--- a/src/KOKKOS/bond_fene_kokkos.cpp
+++ b/src/KOKKOS/bond_fene_kokkos.cpp
@@ -69,8 +69,7 @@ void BondFENEKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -401,7 +400,7 @@ void BondFENEKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const int
 
 namespace LAMMPS_NS {
 template class BondFENEKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class BondFENEKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp
index 35b957ffd34c72deacef9a1ed41cf9c1fd65908e..51a9fa4389dcbbc98d470f8d56b9d41d392aa7a5 100644
--- a/src/KOKKOS/bond_harmonic_kokkos.cpp
+++ b/src/KOKKOS/bond_harmonic_kokkos.cpp
@@ -61,8 +61,7 @@ void BondHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -340,7 +339,7 @@ void BondHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const
 
 namespace LAMMPS_NS {
 template class BondHarmonicKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class BondHarmonicKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/comm_kokkos.cpp b/src/KOKKOS/comm_kokkos.cpp
index 1d31c0718058d0e564b393f90045b7246df65300..87986a9ca93dcf63e64b56b7b31a8edcaf0ea295 100644
--- a/src/KOKKOS/comm_kokkos.cpp
+++ b/src/KOKKOS/comm_kokkos.cpp
@@ -57,10 +57,9 @@ CommKokkos::CommKokkos(LAMMPS *lmp) : CommBrick(lmp)
   memory->destroy(buf_recv);
   buf_recv = NULL;
 
-  k_exchange_sendlist = DAT::
-    tdual_int_1d("comm:k_exchange_sendlist",100);
-  k_exchange_copylist = DAT::
-    tdual_int_1d("comm:k_exchange_copylist",100);
+  k_exchange_lists = DAT::tdual_int_2d("comm:k_exchange_lists",2,100);
+  k_exchange_sendlist = Kokkos::subview(k_exchange_lists,0,Kokkos::ALL);
+  k_exchange_copylist = Kokkos::subview(k_exchange_lists,1,Kokkos::ALL);
   k_count = DAT::tdual_int_scalar("comm:k_count");
   k_sendflag = DAT::tdual_int_1d("comm:k_sendflag",100);
 
@@ -187,71 +186,80 @@ void CommKokkos::forward_comm_device(int dummy)
   k_sendlist.sync<DeviceType>();
   atomKK->sync(ExecutionSpaceFromDevice<DeviceType>::space,X_MASK);
 
-  for (int iswap = 0; iswap < nswap; iswap++) {
-    if (sendproc[iswap] != me) {
-      if (comm_x_only) {
-        if (size_forward_recv[iswap]) {
-          buf = atomKK->k_x.view<DeviceType>().data() +
-            firstrecv[iswap]*atomKK->k_x.view<DeviceType>().extent(1);
-          MPI_Irecv(buf,size_forward_recv[iswap],MPI_DOUBLE,
-                    recvproc[iswap],0,world,&request);
-        }
-        n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,
-                                   iswap,k_buf_send,pbc_flag[iswap],pbc[iswap]);
-        DeviceType::fence();
-        if (n) {
-          MPI_Send(k_buf_send.view<DeviceType>().data(),
-                   n,MPI_DOUBLE,sendproc[iswap],0,world);
-        }
+  if (comm->nprocs == 1 && !ghost_velocity) {
+    k_swap.sync<DeviceType>();
+    k_swap2.sync<DeviceType>();
+    k_pbc.sync<DeviceType>();
+    n = avec->pack_comm_self_fused(totalsend,k_sendlist,k_sendnum_scan,
+                    k_firstrecv,k_pbc_flag,k_pbc,k_g2l);
+  } else {
 
-        if (size_forward_recv[iswap]) {
-          MPI_Wait(&request,MPI_STATUS_IGNORE);
-          atomKK->modified(ExecutionSpaceFromDevice<DeviceType>::
-                           space,X_MASK);
-        }
-      } else if (ghost_velocity) {
-        if (size_forward_recv[iswap]) {
-          MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
-                    size_forward_recv[iswap],MPI_DOUBLE,
-                    recvproc[iswap],0,world,&request);
-        }
-        n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
-                                       k_buf_send,pbc_flag[iswap],pbc[iswap]);
-        DeviceType::fence();
-        if (n) {
-          MPI_Send(k_buf_send.view<DeviceType>().data(),n,
-                   MPI_DOUBLE,sendproc[iswap],0,world);
+    for (int iswap = 0; iswap < nswap; iswap++) {
+      if (sendproc[iswap] != me) {
+        if (comm_x_only) {
+          if (size_forward_recv[iswap]) {
+            buf = atomKK->k_x.view<DeviceType>().data() +
+              firstrecv[iswap]*atomKK->k_x.view<DeviceType>().extent(1);
+            MPI_Irecv(buf,size_forward_recv[iswap],MPI_DOUBLE,
+                      recvproc[iswap],0,world,&request);
+          }
+          n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,
+                                     iswap,k_buf_send,pbc_flag[iswap],pbc[iswap]);
+          DeviceType::fence();
+          if (n) {
+            MPI_Send(k_buf_send.view<DeviceType>().data(),
+                     n,MPI_DOUBLE,sendproc[iswap],0,world);
+          }
+    
+          if (size_forward_recv[iswap]) {
+            MPI_Wait(&request,MPI_STATUS_IGNORE);
+            atomKK->modified(ExecutionSpaceFromDevice<DeviceType>::
+                             space,X_MASK);
+          }
+        } else if (ghost_velocity) {
+          if (size_forward_recv[iswap]) {
+            MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
+                      size_forward_recv[iswap],MPI_DOUBLE,
+                      recvproc[iswap],0,world,&request);
+          }
+          n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
+                                         k_buf_send,pbc_flag[iswap],pbc[iswap]);
+          DeviceType::fence();
+          if (n) {
+            MPI_Send(k_buf_send.view<DeviceType>().data(),n,
+                     MPI_DOUBLE,sendproc[iswap],0,world);
+          }
+          if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
+          avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
+          DeviceType::fence();
+        } else {
+          if (size_forward_recv[iswap])
+            MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
+                      size_forward_recv[iswap],MPI_DOUBLE,
+                      recvproc[iswap],0,world,&request);
+          n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,iswap,
+                                     k_buf_send,pbc_flag[iswap],pbc[iswap]);
+          DeviceType::fence();
+          if (n)
+            MPI_Send(k_buf_send.view<DeviceType>().data(),n,
+                     MPI_DOUBLE,sendproc[iswap],0,world);
+          if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
+          avec->unpack_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
+          DeviceType::fence();
         }
-        if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
-        avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
-        DeviceType::fence();
-      } else {
-        if (size_forward_recv[iswap])
-          MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
-                    size_forward_recv[iswap],MPI_DOUBLE,
-                    recvproc[iswap],0,world,&request);
-        n = avec->pack_comm_kokkos(sendnum[iswap],k_sendlist,iswap,
-                                   k_buf_send,pbc_flag[iswap],pbc[iswap]);
-        DeviceType::fence();
-        if (n)
-          MPI_Send(k_buf_send.view<DeviceType>().data(),n,
-                   MPI_DOUBLE,sendproc[iswap],0,world);
-        if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
-        avec->unpack_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);
-        DeviceType::fence();
-      }
-    } else {
-      if (!ghost_velocity) {
-        if (sendnum[iswap])
-          n = avec->pack_comm_self(sendnum[iswap],k_sendlist,iswap,
-                                   firstrecv[iswap],pbc_flag[iswap],pbc[iswap]);
-        DeviceType::fence();
       } else {
-        n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
-                                       k_buf_send,pbc_flag[iswap],pbc[iswap]);
-        DeviceType::fence();
-        avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_send);
-        DeviceType::fence();
+        if (!ghost_velocity) {
+          if (sendnum[iswap])
+            n = avec->pack_comm_self(sendnum[iswap],k_sendlist,iswap,
+                                     firstrecv[iswap],pbc_flag[iswap],pbc[iswap]);
+          DeviceType::fence();
+        } else {
+          n = avec->pack_comm_vel_kokkos(sendnum[iswap],k_sendlist,iswap,
+                                         k_buf_send,pbc_flag[iswap],pbc[iswap]);
+          DeviceType::fence();
+          avec->unpack_comm_vel_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_send);
+          DeviceType::fence();
+        }
       }
     }
   }
@@ -496,9 +504,8 @@ void CommKokkos::exchange()
   }
 
   atomKK->sync(Host,ALL_MASK);
-  atomKK->modified(Host,ALL_MASK);
-
   CommBrick::exchange();
+  atomKK->modified(Host,ALL_MASK);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -565,146 +572,149 @@ void CommKokkos::exchange_device()
   atom->nghost = 0;
   atom->avec->clear_bonus();
 
-  // subbox bounds for orthogonal or triclinic
-
-  if (triclinic == 0) {
-    sublo = domain->sublo;
-    subhi = domain->subhi;
-  } else {
-    sublo = domain->sublo_lamda;
-    subhi = domain->subhi_lamda;
-  }
+  if (comm->nprocs > 1) { // otherwise no-op
 
-  atomKK->sync(ExecutionSpaceFromDevice<DeviceType>::space,ALL_MASK);
-
-  // loop over dimensions
-  for (int dim = 0; dim < 3; dim++) {
-
-    // fill buffer with atoms leaving my box, using < and >=
-    // when atom is deleted, fill it in with last atom
-
-    x = atom->x;
-    lo = sublo[dim];
-    hi = subhi[dim];
-    nlocal = atom->nlocal;
-    i = nsend = 0;
-
-    if (true) {
-      if (k_sendflag.h_view.extent(0)<nlocal) k_sendflag.resize(nlocal);
-      k_sendflag.sync<DeviceType>();
-      k_count.h_view() = k_exchange_sendlist.h_view.extent(0);
-      while (k_count.h_view()>=k_exchange_sendlist.h_view.extent(0)) {
-        k_count.h_view() = 0;
-        k_count.modify<LMPHostType>();
-        k_count.sync<DeviceType>();
-
-        BuildExchangeListFunctor<DeviceType>
-          f(atomKK->k_x,k_exchange_sendlist,k_count,k_sendflag,
-            nlocal,dim,lo,hi);
-        Kokkos::parallel_for(nlocal,f);
-        k_exchange_sendlist.modify<DeviceType>();
-        k_sendflag.modify<DeviceType>();
-        k_count.modify<DeviceType>();
-
-        k_count.sync<LMPHostType>();
-        if (k_count.h_view()>=k_exchange_sendlist.h_view.extent(0)) {
-          k_exchange_sendlist.resize(k_count.h_view()*1.1);
-          k_exchange_copylist.resize(k_count.h_view()*1.1);
-          k_count.h_view()=k_exchange_sendlist.h_view.extent(0);
-        }
-      }
-      k_exchange_copylist.sync<LMPHostType>();
-      k_exchange_sendlist.sync<LMPHostType>();
-      k_sendflag.sync<LMPHostType>();
-
-      int sendpos = nlocal-1;
-      nlocal -= k_count.h_view();
-      for(int i = 0; i < k_count.h_view(); i++) {
-        if (k_exchange_sendlist.h_view(i)<nlocal) {
-          while (k_sendflag.h_view(sendpos)) sendpos--;
-          k_exchange_copylist.h_view(i) = sendpos;
-          sendpos--;
-        } else
-          k_exchange_copylist.h_view(i) = -1;
-      }
+    // subbox bounds for orthogonal or triclinic
 
-      k_exchange_copylist.modify<LMPHostType>();
-      k_exchange_copylist.sync<DeviceType>();
-      nsend = k_count.h_view();
-      if (nsend > maxsend) grow_send_kokkos(nsend,1);
-      nsend =
-        avec->pack_exchange_kokkos(k_count.h_view(),k_buf_send,
-                                   k_exchange_sendlist,k_exchange_copylist,
-                                   ExecutionSpaceFromDevice<DeviceType>::space,
-                                   dim,lo,hi);
-      DeviceType::fence();
+    if (triclinic == 0) {
+      sublo = domain->sublo;
+      subhi = domain->subhi;
     } else {
-      while (i < nlocal) {
-        if (x[i][dim] < lo || x[i][dim] >= hi) {
-          if (nsend > maxsend) grow_send_kokkos(nsend,1);
-          nsend += avec->pack_exchange(i,&buf_send[nsend]);
-          avec->copy(nlocal-1,i,1);
-          nlocal--;
-        } else i++;
-      }
+      sublo = domain->sublo_lamda;
+      subhi = domain->subhi_lamda;
     }
-    atom->nlocal = nlocal;
-
-    // send/recv atoms in both directions
-    // if 1 proc in dimension, no send/recv, set recv buf to send buf
-    // if 2 procs in dimension, single send/recv
-    // if more than 2 procs in dimension, send/recv to both neighbors
-
-    if (procgrid[dim] == 1) {
-      nrecv = nsend;
-      if (nrecv) {
-        atom->nlocal=avec->
-          unpack_exchange_kokkos(k_buf_send,nrecv,atom->nlocal,dim,lo,hi,
-                                 ExecutionSpaceFromDevice<DeviceType>::space);
+
+    atomKK->sync(ExecutionSpaceFromDevice<DeviceType>::space,ALL_MASK);
+
+    // loop over dimensions
+    for (int dim = 0; dim < 3; dim++) {
+
+      // fill buffer with atoms leaving my box, using < and >=
+      // when atom is deleted, fill it in with last atom
+
+      x = atom->x;
+      lo = sublo[dim];
+      hi = subhi[dim];
+      nlocal = atom->nlocal;
+      i = nsend = 0;
+
+      if (true) {
+        if (k_sendflag.h_view.extent(0)<nlocal) k_sendflag.resize(nlocal);
+        k_sendflag.sync<DeviceType>();
+        k_count.h_view() = k_exchange_sendlist.h_view.extent(0);
+        while (k_count.h_view()>=k_exchange_sendlist.h_view.extent(0)) {
+          k_count.h_view() = 0;
+          k_count.modify<LMPHostType>();
+          k_count.sync<DeviceType>();
+
+          BuildExchangeListFunctor<DeviceType>
+            f(atomKK->k_x,k_exchange_sendlist,k_count,k_sendflag,
+              nlocal,dim,lo,hi);
+          Kokkos::parallel_for(nlocal,f);
+          k_exchange_sendlist.modify<DeviceType>();
+          k_sendflag.modify<DeviceType>();
+          k_count.modify<DeviceType>();
+
+          k_count.sync<LMPHostType>();
+          if (k_count.h_view()>=k_exchange_sendlist.h_view.extent(0)) {
+            k_exchange_lists.resize(2,k_count.h_view()*1.1);
+            k_exchange_sendlist = Kokkos::subview(k_exchange_lists,0,Kokkos::ALL);
+            k_exchange_copylist = Kokkos::subview(k_exchange_lists,1,Kokkos::ALL);
+            k_count.h_view()=k_exchange_sendlist.h_view.extent(0);
+          }
+        }
+
+        k_exchange_lists.sync<LMPHostType>();
+        k_sendflag.sync<LMPHostType>();
+
+        int sendpos = nlocal-1;
+        nlocal -= k_count.h_view();
+        for(int i = 0; i < k_count.h_view(); i++) {
+          if (k_exchange_sendlist.h_view(i)<nlocal) {
+            while (k_sendflag.h_view(sendpos)) sendpos--;
+            k_exchange_copylist.h_view(i) = sendpos;
+            sendpos--;
+          } else
+            k_exchange_copylist.h_view(i) = -1;
+        }
+
+        k_exchange_copylist.modify<LMPHostType>();
+        k_exchange_copylist.sync<DeviceType>();
+        nsend = k_count.h_view();
+        if (nsend > maxsend) grow_send_kokkos(nsend,1);
+        nsend =
+          avec->pack_exchange_kokkos(k_count.h_view(),k_buf_send,
+                                     k_exchange_sendlist,k_exchange_copylist,
+                                     ExecutionSpaceFromDevice<DeviceType>::space,
+                                     dim,lo,hi);
         DeviceType::fence();
+      } else {
+        while (i < nlocal) {
+          if (x[i][dim] < lo || x[i][dim] >= hi) {
+            if (nsend > maxsend) grow_send_kokkos(nsend,1);
+            nsend += avec->pack_exchange(i,&buf_send[nsend]);
+            avec->copy(nlocal-1,i,1);
+            nlocal--;
+          } else i++;
+        }
       }
-    } else {
-      MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][0],0,
-                   &nrecv1,1,MPI_INT,procneigh[dim][1],0,world,MPI_STATUS_IGNORE);
-      nrecv = nrecv1;
-      if (procgrid[dim] > 2) {
-        MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][1],0,
-                     &nrecv2,1,MPI_INT,procneigh[dim][0],0,world,MPI_STATUS_IGNORE);
-        nrecv += nrecv2;
-      }
-      if (nrecv > maxrecv) grow_recv_kokkos(nrecv);
-
-      MPI_Irecv(k_buf_recv.view<DeviceType>().data(),nrecv1,
-                MPI_DOUBLE,procneigh[dim][1],0,
-                world,&request);
-      MPI_Send(k_buf_send.view<DeviceType>().data(),nsend,
-               MPI_DOUBLE,procneigh[dim][0],0,world);
-      MPI_Wait(&request,MPI_STATUS_IGNORE);
-
-      if (procgrid[dim] > 2) {
-        MPI_Irecv(k_buf_recv.view<DeviceType>().data()+nrecv1,
-                  nrecv2,MPI_DOUBLE,procneigh[dim][0],0,
+      atom->nlocal = nlocal;
+
+      // send/recv atoms in both directions
+      // if 1 proc in dimension, no send/recv, set recv buf to send buf
+      // if 2 procs in dimension, single send/recv
+      // if more than 2 procs in dimension, send/recv to both neighbors
+
+      if (procgrid[dim] == 1) {
+        nrecv = nsend;
+        if (nrecv) {
+          atom->nlocal=avec->
+            unpack_exchange_kokkos(k_buf_send,nrecv,atom->nlocal,dim,lo,hi,
+                                   ExecutionSpaceFromDevice<DeviceType>::space);
+          DeviceType::fence();
+        }
+      } else {
+        MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][0],0,
+                     &nrecv1,1,MPI_INT,procneigh[dim][1],0,world,MPI_STATUS_IGNORE);
+        nrecv = nrecv1;
+        if (procgrid[dim] > 2) {
+          MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][1],0,
+                       &nrecv2,1,MPI_INT,procneigh[dim][0],0,world,MPI_STATUS_IGNORE);
+          nrecv += nrecv2;
+        }
+        if (nrecv > maxrecv) grow_recv_kokkos(nrecv);
+
+        MPI_Irecv(k_buf_recv.view<DeviceType>().data(),nrecv1,
+                  MPI_DOUBLE,procneigh[dim][1],0,
                   world,&request);
         MPI_Send(k_buf_send.view<DeviceType>().data(),nsend,
-                 MPI_DOUBLE,procneigh[dim][1],0,world);
+                 MPI_DOUBLE,procneigh[dim][0],0,world);
         MPI_Wait(&request,MPI_STATUS_IGNORE);
-      }
 
-      if (nrecv) {
-        atom->nlocal = avec->
-          unpack_exchange_kokkos(k_buf_recv,nrecv,atom->nlocal,dim,lo,hi,
-                                 ExecutionSpaceFromDevice<DeviceType>::space);
-        DeviceType::fence();
+        if (procgrid[dim] > 2) {
+          MPI_Irecv(k_buf_recv.view<DeviceType>().data()+nrecv1,
+                    nrecv2,MPI_DOUBLE,procneigh[dim][0],0,
+                    world,&request);
+          MPI_Send(k_buf_send.view<DeviceType>().data(),nsend,
+                   MPI_DOUBLE,procneigh[dim][1],0,world);
+          MPI_Wait(&request,MPI_STATUS_IGNORE);
+        }
+
+        if (nrecv) {
+          atom->nlocal = avec->
+            unpack_exchange_kokkos(k_buf_recv,nrecv,atom->nlocal,dim,lo,hi,
+                                   ExecutionSpaceFromDevice<DeviceType>::space);
+          DeviceType::fence();
+        }
       }
-    }
 
-    // check incoming atoms to see if they are in my box
-    // if so, add to my list
+      // check incoming atoms to see if they are in my box
+      // if so, add to my list
 
+    }
+    atomKK->modified(ExecutionSpaceFromDevice<DeviceType>::space,ALL_MASK);
   }
 
-  atomKK->modified(ExecutionSpaceFromDevice<DeviceType>::space,ALL_MASK);
-
   if (atom->firstgroupname) {
     /* this is not yet implemented with Kokkos */
     atomKK->sync(Host,ALL_MASK);
@@ -742,14 +752,15 @@ void CommKokkos::borders()
   if (!exchange_comm_classic) {
     if (exchange_comm_on_host) borders_device<LMPHostType>();
     else borders_device<LMPDeviceType>();
-    return;
+  } else {
+    atomKK->sync(Host,ALL_MASK);
+    CommBrick::borders();
+    k_sendlist.modify<LMPHostType>();
+    atomKK->modified(Host,ALL_MASK);
   }
 
-  atomKK->sync(Host,ALL_MASK);
-  k_sendlist.sync<LMPHostType>();
-  CommBrick::borders();
-  k_sendlist.modify<LMPHostType>();
-  atomKK->modified(Host,ALL_MASK);
+  if (comm->nprocs == 1 && !ghost_velocity && !forward_comm_classic)
+    copy_swap_info();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -817,7 +828,6 @@ void CommKokkos::borders_device() {
   AtomVecKokkos *avec = (AtomVecKokkos *) atom->avec;
 
   ExecutionSpace exec_space = ExecutionSpaceFromDevice<DeviceType>::space;
-  k_sendlist.sync<DeviceType>();
   atomKK->sync(exec_space,ALL_MASK);
 
   // do swaps over all 3 dimensions
@@ -1037,6 +1047,69 @@ void CommKokkos::borders_device() {
     atom->map_set();
   }
 }
+
+/* ----------------------------------------------------------------------
+   copy swap info
+------------------------------------------------------------------------- */
+
+void CommKokkos::copy_swap_info()
+{
+  if (nswap > k_swap.extent(1)) {
+    k_swap = DAT::tdual_int_2d("comm:swap",2,nswap);
+    k_firstrecv    = Kokkos::subview(k_swap,0,Kokkos::ALL);
+    k_sendnum_scan = Kokkos::subview(k_swap,1,Kokkos::ALL);
+  }
+  int scan = 0;
+  for (int iswap = 0; iswap < nswap; iswap++) {
+    scan += sendnum[iswap];
+    k_sendnum_scan.h_view[iswap] = scan;
+    k_firstrecv.h_view[iswap] = firstrecv[iswap];
+  }
+  totalsend = scan;
+
+  // create map of ghost to local atom id
+  // store periodic boundary transform from local to ghost
+
+  k_sendlist.sync<LMPHostType>();
+
+  if (totalsend > k_pbc.extent(0)) {
+    k_pbc = DAT::tdual_int_2d("comm:pbc",totalsend,6);
+    k_swap2 = DAT::tdual_int_2d("comm:swap2",2,totalsend);
+    k_pbc_flag = Kokkos::subview(k_swap2,0,Kokkos::ALL);
+    k_g2l = Kokkos::subview(k_swap2,1,Kokkos::ALL);
+  }
+
+  for (int iswap = 0; iswap < nswap; iswap++) {
+    for (int i = 0; i < sendnum[iswap]; i++) {
+      int source = sendlist[iswap][i] - atom->nlocal;
+      int dest = firstrecv[iswap] + i - atom->nlocal;
+      k_pbc_flag.h_view(dest) = pbc_flag[iswap];
+      k_pbc.h_view(dest,0) = pbc[iswap][0];
+      k_pbc.h_view(dest,1) = pbc[iswap][1];
+      k_pbc.h_view(dest,2) = pbc[iswap][2];
+      k_pbc.h_view(dest,3) = pbc[iswap][3];
+      k_pbc.h_view(dest,4) = pbc[iswap][4];
+      k_pbc.h_view(dest,5) = pbc[iswap][5];
+      k_g2l.h_view(dest) = atom->nlocal + source;
+
+      if (source >= 0) {
+        k_pbc_flag.h_view(dest) = k_pbc_flag.h_view(dest) || k_pbc_flag.h_view(source);
+        k_pbc.h_view(dest,0) += k_pbc.h_view(source,0);
+        k_pbc.h_view(dest,1) += k_pbc.h_view(source,1);
+        k_pbc.h_view(dest,2) += k_pbc.h_view(source,2);
+        k_pbc.h_view(dest,3) += k_pbc.h_view(source,3);
+        k_pbc.h_view(dest,4) += k_pbc.h_view(source,4);
+        k_pbc.h_view(dest,5) += k_pbc.h_view(source,5);
+        k_g2l.h_view(dest) = k_g2l.h_view(source);
+      }
+    }
+  }
+
+  k_swap.modify<LMPHostType>();
+  k_swap2.modify<LMPHostType>();
+  k_pbc.modify<LMPHostType>();
+}
+
 /* ----------------------------------------------------------------------
    realloc the size of the send buffer as needed with BUFFACTOR and bufextra
    if flag = 1, realloc
diff --git a/src/KOKKOS/comm_kokkos.h b/src/KOKKOS/comm_kokkos.h
index f137655cb8047fb1340d55283acc5e03ef59841f..9d8766e3099038c04e15c901174d9ca0b250909a 100644
--- a/src/KOKKOS/comm_kokkos.h
+++ b/src/KOKKOS/comm_kokkos.h
@@ -58,11 +58,21 @@ class CommKokkos : public CommBrick {
   DAT::tdual_int_2d k_sendlist;
   DAT::tdual_int_scalar k_total_send;
   DAT::tdual_xfloat_2d k_buf_send,k_buf_recv;
+  DAT::tdual_int_2d k_exchange_lists;
   DAT::tdual_int_1d k_exchange_sendlist,k_exchange_copylist,k_sendflag;
   DAT::tdual_int_scalar k_count;
   //double *buf_send;                 // send buffer for all comm
   //double *buf_recv;                 // recv buffer for all comm
 
+  DAT::tdual_int_2d k_swap;
+  DAT::tdual_int_2d k_swap2;
+  DAT::tdual_int_2d k_pbc;
+  DAT::tdual_int_1d k_pbc_flag;
+  DAT::tdual_int_1d k_g2l;
+  DAT::tdual_int_1d k_firstrecv;
+  DAT::tdual_int_1d k_sendnum_scan;
+  int totalsend;
+
   int max_buf_pair;
   DAT::tdual_xfloat_1d k_buf_send_pair;
   DAT::tdual_xfloat_1d k_buf_recv_pair;
@@ -74,6 +84,7 @@ class CommKokkos : public CommBrick {
   void grow_recv_kokkos(int, ExecutionSpace space = Host);
   void grow_list(int, int);
   void grow_swap(int);
+  void copy_swap_info();
 };
 
 }
diff --git a/src/KOKKOS/compute_temp_kokkos.cpp b/src/KOKKOS/compute_temp_kokkos.cpp
index d94c6e76b51df3d2187d52db23be408c6dc07635..7b76f54f5763a5db388e00226cc1adb8a652ac84 100644
--- a/src/KOKKOS/compute_temp_kokkos.cpp
+++ b/src/KOKKOS/compute_temp_kokkos.cpp
@@ -153,7 +153,7 @@ void ComputeTempKokkos<DeviceType>::operator()(TagComputeTempVector<RMASS>, cons
 
 namespace LAMMPS_NS {
 template class ComputeTempKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class ComputeTempKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp
index 9e25dda894f19180553ecf06e23d29cb21bc9e79..61ddcc425adc8a16d1107b03be374ac8d4e45dba 100644
--- a/src/KOKKOS/dihedral_charmm_kokkos.cpp
+++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp
@@ -69,8 +69,7 @@ void DihedralCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
@@ -786,7 +785,7 @@ void DihedralCharmmKokkos<DeviceType>::ev_tally(EVM_FLOAT &evm, const int i, con
 
 namespace LAMMPS_NS {
 template class DihedralCharmmKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class DihedralCharmmKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/dihedral_class2_kokkos.cpp b/src/KOKKOS/dihedral_class2_kokkos.cpp
index de1d9c54586f3f17916140777dcbdd80e20ca703..98436bc696cdf595eb49b0e7c4c79fcfcb8051bf 100644
--- a/src/KOKKOS/dihedral_class2_kokkos.cpp
+++ b/src/KOKKOS/dihedral_class2_kokkos.cpp
@@ -69,8 +69,7 @@ void DihedralClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -1127,7 +1126,7 @@ void DihedralClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, cons
 
 namespace LAMMPS_NS {
 template class DihedralClass2Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class DihedralClass2Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/dihedral_opls_kokkos.cpp b/src/KOKKOS/dihedral_opls_kokkos.cpp
index 3f34c2f5f3332f73f7f6754c6a4c195d32ac970a..f50dea2c369204345ab05dc1a37168fae733c7c1 100644
--- a/src/KOKKOS/dihedral_opls_kokkos.cpp
+++ b/src/KOKKOS/dihedral_opls_kokkos.cpp
@@ -69,8 +69,7 @@ void DihedralOPLSKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -536,7 +535,7 @@ void DihedralOPLSKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, const
 
 namespace LAMMPS_NS {
 template class DihedralOPLSKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class DihedralOPLSKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/domain_kokkos.cpp b/src/KOKKOS/domain_kokkos.cpp
index d9c1332778116bcd6f9e21990c14f0d1ffff7666..4cf3e6ab524d5676ca40e526c588bd925dbade88 100644
--- a/src/KOKKOS/domain_kokkos.cpp
+++ b/src/KOKKOS/domain_kokkos.cpp
@@ -17,6 +17,7 @@
 #include "error.h"
 #include "force.h"
 #include "kspace.h"
+#include "kokkos.h"
 
 using namespace LAMMPS_NS;
 
@@ -339,6 +340,17 @@ struct DomainPBCFunctor {
 
 void DomainKokkos::pbc()
 {
+ 
+  if (lmp->kokkos->exchange_comm_classic) {
+ 
+   // reduce GPU data movement
+ 
+    atomKK->sync(Host,X_MASK|V_MASK|MASK_MASK|IMAGE_MASK);
+    Domain::pbc();
+    atomKK->modified(Host,X_MASK|V_MASK|MASK_MASK|IMAGE_MASK);
+    return;
+  }
+
   double *lo,*hi,*period;
   int nlocal = atomKK->nlocal;
 
diff --git a/src/KOKKOS/domain_kokkos.h b/src/KOKKOS/domain_kokkos.h
index 7b8504dba85d787d3ac2d4a073dc0830542efc81..eccc36a021ec5bc90a8ce3f838b2f9625c78b42b 100644
--- a/src/KOKKOS/domain_kokkos.h
+++ b/src/KOKKOS/domain_kokkos.h
@@ -36,10 +36,12 @@ class DomainKokkos : public Domain {
   void image_flip(int, int, int);
   void x2lamda(int);
   void lamda2x(int);
-  // these lines bring in the x2lamda signatures from Domain
-  // that are not overloaded here
-  using Domain::x2lamda;
-  using Domain::lamda2x;
+  // forward remaining x2lamda() and lambda2x() variants to parent class
+  void x2lamda(double *a, double *b) { Domain::x2lamda(a,b); }
+  void lamda2x(double *a, double *b) { Domain::lamda2x(a,b); }
+  void x2lamda(double *a, double *b, double *c, double *d) {
+    Domain::x2lamda(a,b,c,d);
+  }
 
   int closest_image(const int, int) const;
 
diff --git a/src/KOKKOS/fix_dpd_energy_kokkos.cpp b/src/KOKKOS/fix_dpd_energy_kokkos.cpp
index b12c6a476e0939d26da6c4d20a37cb56fe072e0c..d092cb4802c32ef7bcc3cfc06f955ee2d25dba61 100644
--- a/src/KOKKOS/fix_dpd_energy_kokkos.cpp
+++ b/src/KOKKOS/fix_dpd_energy_kokkos.cpp
@@ -90,7 +90,7 @@ void FixDPDenergyKokkos<DeviceType>::final_integrate()
 
 namespace LAMMPS_NS {
 template class FixDPDenergyKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixDPDenergyKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_enforce2d_kokkos.cpp b/src/KOKKOS/fix_enforce2d_kokkos.cpp
index f4f239123ba819c930eaf3302b245ad825fb7271..346e440f5578f35abae9a2f249a14e4fc27b4ad2 100644
--- a/src/KOKKOS/fix_enforce2d_kokkos.cpp
+++ b/src/KOKKOS/fix_enforce2d_kokkos.cpp
@@ -162,7 +162,7 @@ void FixEnforce2DKokkos<DeviceType>::post_force_item( int i ) const
 
 namespace LAMMPS_NS {
 template class FixEnforce2DKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixEnforce2DKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp
index 39f612ec46e002fbaaab31ae42221b5b6fdf9e72..2f730d1193ab20bd9f2c0a6d2874314c2d67b33b 100644
--- a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp
+++ b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp
@@ -563,7 +563,7 @@ void FixEOStableRXKokkos<DeviceType>::create_kokkos_tables()
 
 namespace LAMMPS_NS {
 template class FixEOStableRXKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixEOStableRXKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_freeze_kokkos.cpp b/src/KOKKOS/fix_freeze_kokkos.cpp
index ccf7c7ff85bf5f501491916d3778a67e6fc654ce..fb0c3841e620b831e02ac7091300c145da9fe0ac 100644
--- a/src/KOKKOS/fix_freeze_kokkos.cpp
+++ b/src/KOKKOS/fix_freeze_kokkos.cpp
@@ -118,7 +118,7 @@ void FixFreezeKokkos<DeviceType>::operator()(const int i, OriginalForce &origina
 
 namespace LAMMPS_NS {
 template class FixFreezeKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixFreezeKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_gravity_kokkos.cpp b/src/KOKKOS/fix_gravity_kokkos.cpp
index 2aff7af56cf74ca970ce9c470379282fbcfd8e41..5d3b4f62fb7a6979ada20e45df05f9b6f5927986 100644
--- a/src/KOKKOS/fix_gravity_kokkos.cpp
+++ b/src/KOKKOS/fix_gravity_kokkos.cpp
@@ -115,7 +115,7 @@ void FixGravityKokkos<DeviceType>::operator()(TagFixGravityMass, const int i, do
 
 namespace LAMMPS_NS {
 template class FixGravityKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixGravityKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_langevin_kokkos.cpp b/src/KOKKOS/fix_langevin_kokkos.cpp
index 63b749a556f541205cbec757ed28ad9a9966c305..0947fee693f8df3d85dcb154135b7b84edd64435 100644
--- a/src/KOKKOS/fix_langevin_kokkos.cpp
+++ b/src/KOKKOS/fix_langevin_kokkos.cpp
@@ -774,7 +774,7 @@ void FixLangevinKokkos<DeviceType>::cleanup_copy()
 
 namespace LAMMPS_NS {
 template class FixLangevinKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixLangevinKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_momentum_kokkos.cpp b/src/KOKKOS/fix_momentum_kokkos.cpp
index 493dffc3d947022f06ccb474a248e089b214cc15..38500531ca73a06997ed7bcb6997175106d67ca9 100644
--- a/src/KOKKOS/fix_momentum_kokkos.cpp
+++ b/src/KOKKOS/fix_momentum_kokkos.cpp
@@ -199,7 +199,7 @@ void FixMomentumKokkos<DeviceType>::end_of_step()
 
 namespace LAMMPS_NS {
 template class FixMomentumKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixMomentumKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_neigh_history_kokkos.cpp b/src/KOKKOS/fix_neigh_history_kokkos.cpp
index ea0bd138f4f959dee327cadc4ec82ea503dbafcf..5f53950fe6f7cb97c0f74121d7cdb973da8494c0 100644
--- a/src/KOKKOS/fix_neigh_history_kokkos.cpp
+++ b/src/KOKKOS/fix_neigh_history_kokkos.cpp
@@ -329,7 +329,7 @@ int FixNeighHistoryKokkos<DeviceType>::unpack_exchange(int nlocal, double *buf)
 
 namespace LAMMPS_NS {
 template class FixNeighHistoryKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNeighHistoryKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_nh_kokkos.cpp b/src/KOKKOS/fix_nh_kokkos.cpp
index 9e86e47bc964de6cb7c019c34b8e189d1af3076f..fae9ef8f30e0d49ea7a38e975d024245e09781e3 100644
--- a/src/KOKKOS/fix_nh_kokkos.cpp
+++ b/src/KOKKOS/fix_nh_kokkos.cpp
@@ -106,8 +106,8 @@ void FixNHKokkos<DeviceType>::setup(int vflag)
 
     if (t0 == 0.0) {
       atomKK->sync(temperature->execution_space,temperature->datamask_read);
-      atomKK->modified(temperature->execution_space,temperature->datamask_modify);
       t0 = temperature->compute_scalar();
+      atomKK->modified(temperature->execution_space,temperature->datamask_modify);
       if (t0 == 0.0) {
         if (strcmp(update->unit_style,"lj") == 0) t0 = 1.0;
         else t0 = 300.0;
@@ -119,8 +119,8 @@ void FixNHKokkos<DeviceType>::setup(int vflag)
   if (pstat_flag) compute_press_target();
 
   atomKK->sync(temperature->execution_space,temperature->datamask_read);
-  atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   t_current = temperature->compute_scalar();
+  atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   tdof = temperature->dof;
 
   if (pstat_flag) {
@@ -250,10 +250,11 @@ void FixNHKokkos<DeviceType>::final_integrate()
   //   per-atom values are invalid if reneigh/comm occurred
   //     since temp->compute() in initial_integrate()
 
-  if (which == BIAS && neighbor->ago == 0)
+  if (which == BIAS && neighbor->ago == 0) {
     atomKK->sync(temperature->execution_space,temperature->datamask_read);
-    atomKK->modified(temperature->execution_space,temperature->datamask_modify);
     t_current = temperature->compute_scalar();
+    atomKK->modified(temperature->execution_space,temperature->datamask_modify);
+  }
 
   if (pstat_flag) nh_v_press();
 
@@ -261,8 +262,8 @@ void FixNHKokkos<DeviceType>::final_integrate()
   // compute appropriately coupled elements of mvv_current
 
   atomKK->sync(temperature->execution_space,temperature->datamask_read);
-  atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   t_current = temperature->compute_scalar();
+  atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   tdof = temperature->dof;
 
   if (pstat_flag) {
@@ -476,8 +477,6 @@ void FixNHKokkos<DeviceType>::remap()
 template<class DeviceType>
 void FixNHKokkos<DeviceType>::nh_v_press()
 {
-  atomKK->sync(execution_space,V_MASK | MASK_MASK);
-
   v = atomKK->k_v.view<DeviceType>();
   mask = atomKK->k_mask.view<DeviceType>();
   int nlocal = atomKK->nlocal;
@@ -493,6 +492,8 @@ void FixNHKokkos<DeviceType>::nh_v_press()
     atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   }
 
+  atomKK->sync(execution_space,V_MASK | MASK_MASK);
+
   copymode = 1;
   if (pstyle == TRICLINIC)
     Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagFixNH_nh_v_press<1> >(0,nlocal),*this);
@@ -536,7 +537,6 @@ template<class DeviceType>
 void FixNHKokkos<DeviceType>::nve_v()
 {
   atomKK->sync(execution_space,X_MASK | V_MASK | F_MASK | MASK_MASK | RMASS_MASK | TYPE_MASK);
-  atomKK->modified(execution_space,V_MASK);
 
   v = atomKK->k_v.view<DeviceType>();
   f = atomKK->k_f.view<DeviceType>();
@@ -553,6 +553,8 @@ void FixNHKokkos<DeviceType>::nve_v()
   else
     Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagFixNH_nve_v<0> >(0,nlocal),*this);
   copymode = 0;
+
+  atomKK->modified(execution_space,V_MASK);
 }
 
 template<class DeviceType>
@@ -616,8 +618,6 @@ void FixNHKokkos<DeviceType>::operator()(TagFixNH_nve_x, const int &i) const {
 template<class DeviceType>
 void FixNHKokkos<DeviceType>::nh_v_temp()
 {
-  atomKK->sync(execution_space,V_MASK | MASK_MASK);
-
   v = atomKK->k_v.view<DeviceType>();
   mask = atomKK->k_mask.view<DeviceType>();
   int nlocal = atomKK->nlocal;
@@ -629,6 +629,8 @@ void FixNHKokkos<DeviceType>::nh_v_temp()
     atomKK->modified(temperature->execution_space,temperature->datamask_modify);
   }
 
+  atomKK->sync(execution_space,V_MASK | MASK_MASK);
+
   copymode = 1;
   Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagFixNH_nh_v_temp>(0,nlocal),*this);
   copymode = 0;
@@ -733,7 +735,7 @@ void FixNHKokkos<DeviceType>::pre_exchange()
 
 namespace LAMMPS_NS {
 template class FixNHKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNHKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_nph_kokkos.cpp b/src/KOKKOS/fix_nph_kokkos.cpp
index ed825ad9ee448a156ecf5e91b1fd329c94a79fa5..c5072e6ae90ece0fdc52c349a89d4578e8db8930 100644
--- a/src/KOKKOS/fix_nph_kokkos.cpp
+++ b/src/KOKKOS/fix_nph_kokkos.cpp
@@ -71,7 +71,7 @@ FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS *lmp, int narg, char **arg) :
 
 namespace LAMMPS_NS {
 template class FixNPHKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNPHKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_npt_kokkos.cpp b/src/KOKKOS/fix_npt_kokkos.cpp
index b33e733aee707b8c4f572cc3ae93a14d09fc7eab..c488c8e4f34060621f364632316c906755893e74 100644
--- a/src/KOKKOS/fix_npt_kokkos.cpp
+++ b/src/KOKKOS/fix_npt_kokkos.cpp
@@ -71,7 +71,7 @@ FixNPTKokkos<DeviceType>::FixNPTKokkos(LAMMPS *lmp, int narg, char **arg) :
 
 namespace LAMMPS_NS {
 template class FixNPTKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNPTKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_nve_kokkos.cpp b/src/KOKKOS/fix_nve_kokkos.cpp
index 621f16f4201c76a25162ec325e0ddae1d705f916..6db8ff8c0f63ef0c8cfeb7cd9b6fd03cc1ab4ff9 100644
--- a/src/KOKKOS/fix_nve_kokkos.cpp
+++ b/src/KOKKOS/fix_nve_kokkos.cpp
@@ -113,8 +113,8 @@ void FixNVEKokkos<DeviceType>::initial_integrate_rmass_item(int i) const
 template<class DeviceType>
 void FixNVEKokkos<DeviceType>::final_integrate()
 {
-  atomKK->sync(execution_space,datamask_read);
-  atomKK->modified(execution_space,datamask_modify);
+  atomKK->sync(execution_space,V_MASK | F_MASK | MASK_MASK | RMASS_MASK | TYPE_MASK);
+  atomKK->modified(execution_space,V_MASK);
 
   v = atomKK->k_v.view<DeviceType>();
   f = atomKK->k_f.view<DeviceType>();
@@ -172,7 +172,7 @@ void FixNVEKokkos<DeviceType>::cleanup_copy()
 
 namespace LAMMPS_NS {
 template class FixNVEKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNVEKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_nve_sphere_kokkos.cpp b/src/KOKKOS/fix_nve_sphere_kokkos.cpp
index 9c408d0630a93f4119db6edcdef5d38ee0cb75fa..95945a858fdb705efc41c54877fbaf099f107c55 100644
--- a/src/KOKKOS/fix_nve_sphere_kokkos.cpp
+++ b/src/KOKKOS/fix_nve_sphere_kokkos.cpp
@@ -149,7 +149,7 @@ void FixNVESphereKokkos<DeviceType>::final_integrate_item(const int i) const
 
 namespace LAMMPS_NS {
 template class FixNVESphereKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNVESphereKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_nvt_kokkos.cpp b/src/KOKKOS/fix_nvt_kokkos.cpp
index 8b2d9362745c98812b367b9df82054ac883158bf..4db42a62fbbf73a1088221dd6fdcbe76db759e38 100644
--- a/src/KOKKOS/fix_nvt_kokkos.cpp
+++ b/src/KOKKOS/fix_nvt_kokkos.cpp
@@ -52,7 +52,7 @@ FixNVTKokkos<DeviceType>::FixNVTKokkos(LAMMPS *lmp, int narg, char **arg) :
 
 namespace LAMMPS_NS {
 template class FixNVTKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixNVTKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_property_atom_kokkos.cpp b/src/KOKKOS/fix_property_atom_kokkos.cpp
index 12f27f99322aaa863da3b77243715183dd951db6..6860676911ae37b1a92204a99125b204d1eb3486 100644
--- a/src/KOKKOS/fix_property_atom_kokkos.cpp
+++ b/src/KOKKOS/fix_property_atom_kokkos.cpp
@@ -19,6 +19,7 @@
 #include "memory_kokkos.h"
 #include "error.h"
 #include "update.h"
+#include "atom_masks.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -61,8 +62,10 @@ void FixPropertyAtomKokkos::grow_arrays(int nmax)
       size_t nbytes = (nmax-nmax_old) * sizeof(int);
       memset(&atom->ivector[index[m]][nmax_old],0,nbytes);
     } else if (style[m] == DOUBLE) {
+      atomKK->sync(Device,DVECTOR_MASK);
       memoryKK->grow_kokkos(atomKK->k_dvector,atomKK->dvector,atomKK->k_dvector.extent(0),nmax,
                           "atom:dvector");
+      atomKK->modified(Device,DVECTOR_MASK);
       //memory->grow(atom->dvector[index[m]],nmax,"atom:dvector");
       //size_t nbytes = (nmax-nmax_old) * sizeof(double);
       //memset(&atom->dvector[index[m]][nmax_old],0,nbytes);
diff --git a/src/KOKKOS/fix_qeq_reax_kokkos.cpp b/src/KOKKOS/fix_qeq_reax_kokkos.cpp
index 52a90eda013ddf2ede77c0e155121a01e60af7cb..12369261b3ff12aafe80964464e36e6b8fbde4c5 100644
--- a/src/KOKKOS/fix_qeq_reax_kokkos.cpp
+++ b/src/KOKKOS/fix_qeq_reax_kokkos.cpp
@@ -12,7 +12,8 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author: Ray Shan (SNL), Stan Moore (SNL)
+   Contributing authors: Ray Shan (SNL), Stan Moore (SNL),
+                          Kamesh Arumugam (NVIDIA)
 ------------------------------------------------------------------------- */
 
 #include <cmath>
@@ -58,7 +59,7 @@ FixQEqReaxKokkos(LAMMPS *lmp, int narg, char **arg) :
   atomKK = (AtomKokkos *) atom;
   execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
 
-  datamask_read = X_MASK | V_MASK | F_MASK | MASK_MASK | Q_MASK | TYPE_MASK;
+  datamask_read = X_MASK | V_MASK | F_MASK | MASK_MASK | Q_MASK | TYPE_MASK | TAG_MASK;
   datamask_modify = Q_MASK | X_MASK;
 
   nmax = nmax = m_cap = 0;
@@ -68,6 +69,8 @@ FixQEqReaxKokkos(LAMMPS *lmp, int narg, char **arg) :
   memory->destroy(s_hist);
   memory->destroy(t_hist);
   grow_arrays(atom->nmax);
+
+  d_mfill_offset = typename AT::t_int_scalar("qeq/kk:mfill_offset");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -164,6 +167,9 @@ void FixQEqReaxKokkos<DeviceType>::init_shielding_k()
 template<class DeviceType>
 void FixQEqReaxKokkos<DeviceType>::init_hist()
 {
+  k_s_hist.clear_sync_state();
+  k_t_hist.clear_sync_state();
+
   Kokkos::deep_copy(d_s_hist,0.0);
   Kokkos::deep_copy(d_t_hist,0.0);
 
@@ -189,7 +195,6 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag)
   if (update->ntimestep % nevery) return;
 
   atomKK->sync(execution_space,datamask_read);
-  atomKK->modified(execution_space,datamask_modify);
 
   x = atomKK->k_x.view<DeviceType>();
   v = atomKK->k_v.view<DeviceType>();
@@ -215,17 +220,46 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag)
   copymode = 1;
 
   // allocate
+
   allocate_array();
 
   // get max number of neighbor
+
   if (!allocated_flag || update->ntimestep == neighbor->lastcall)
     allocate_matrix();
 
   // compute_H
-  FixQEqReaxKokkosComputeHFunctor<DeviceType> computeH_functor(this);
-  Kokkos::parallel_scan(inum,computeH_functor);
+
+  if (lmp->kokkos->ngpus == 0) { // CPU
+    if (neighflag == FULL) {
+      FixQEqReaxKokkosComputeHFunctor<DeviceType, FULL> computeH_functor(this);
+      Kokkos::parallel_scan(inum,computeH_functor);
+    } else { // HALF and HALFTHREAD are the same
+      FixQEqReaxKokkosComputeHFunctor<DeviceType, HALF> computeH_functor(this);
+      Kokkos::parallel_scan(inum,computeH_functor);
+    }
+  } else { // GPU, use teams
+    Kokkos::deep_copy(d_mfill_offset,0);
+
+    int vector_length = 32;
+    int atoms_per_team = 4;
+    int num_teams = inum / atoms_per_team + (inum % atoms_per_team ? 1 : 0);
+
+    Kokkos::TeamPolicy<DeviceType> policy(num_teams, atoms_per_team,
+                                          vector_length);
+    if (neighflag == FULL) {
+      FixQEqReaxKokkosComputeHFunctor<DeviceType, FULL> computeH_functor(
+          this, atoms_per_team, vector_length);
+      Kokkos::parallel_for(policy, computeH_functor);
+    } else { // HALF and HALFTHREAD are the same
+      FixQEqReaxKokkosComputeHFunctor<DeviceType, HALF> computeH_functor(
+          this, atoms_per_team, vector_length);
+      Kokkos::parallel_for(policy, computeH_functor);
+    }
+  }
 
   // init_matvec
+
   k_s_hist.template sync<DeviceType>();
   k_t_hist.template sync<DeviceType>();
   FixQEqReaxKokkosMatVecFunctor<DeviceType> matvec_functor(this);
@@ -255,12 +289,15 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag)
     ndup_o = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonDuplicated> (d_o);
 
   // 1st cg solve over b_s, s
+
   cg_solve1();
 
   // 2nd cg solve over b_t, t
+
   cg_solve2();
 
   // calculate_Q();
+
   calculate_q();
   k_s_hist.template modify<DeviceType>();
   k_t_hist.template modify<DeviceType>();
@@ -271,8 +308,11 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag)
     allocated_flag = 1;
 
   // free duplicated memory
+
   if (need_dup)
     dup_o = decltype(dup_o)();
+
+  atomKK->modified(execution_space,datamask_modify);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -373,6 +413,7 @@ void FixQEqReaxKokkos<DeviceType>::zero_item(int ii) const
 /* ---------------------------------------------------------------------- */
 
 template<class DeviceType>
+template <int NEIGHFLAG>
 KOKKOS_INLINE_FUNCTION
 void FixQEqReaxKokkos<DeviceType>::compute_h_item(int ii, int &m_fill, const bool &final) const
 {
@@ -399,7 +440,7 @@ void FixQEqReaxKokkos<DeviceType>::compute_h_item(int ii, int &m_fill, const boo
       const X_FLOAT dely = x(j,1) - ytmp;
       const X_FLOAT delz = x(j,2) - ztmp;
 
-      if (neighflag != FULL) {
+      if (NEIGHFLAG != FULL) {
         // skip half of the interactions
         const tagint jtag = tag(j);
         if (j >= nlocal) {
@@ -433,6 +474,217 @@ void FixQEqReaxKokkos<DeviceType>::compute_h_item(int ii, int &m_fill, const boo
 
 /* ---------------------------------------------------------------------- */
 
+// Calculate Qeq matrix H where H is a sparse matrix and H[i][j] represents the electrostatic interaction coefficients on atom-i with atom-j
+// d_val     - contains the non-zero entries of sparse matrix H
+// d_numnbrs - d_numnbrs[i] contains the # of non-zero entries in the i-th row of H (which also represents the # of neighbor atoms with electrostatic interaction coefficients with atom-i)
+// d_firstnbr- d_firstnbr[i] contains the beginning index from where the H matrix entries corresponding to row-i is stored in d_val
+// d_jlist   - contains the column index corresponding to each entry in d_val
+
+template <class DeviceType>
+template <int NEIGHFLAG>
+void FixQEqReaxKokkos<DeviceType>::compute_h_team(
+    const typename Kokkos::TeamPolicy<DeviceType>::member_type &team,
+    int atoms_per_team, int vector_length) const {
+
+  // scratch space setup
+  Kokkos::View<int *, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_ilist(team.team_shmem(), atoms_per_team);
+  Kokkos::View<int *, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_numnbrs(team.team_shmem(), atoms_per_team);
+  Kokkos::View<int *, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_firstnbr(team.team_shmem(), atoms_per_team);
+
+  Kokkos::View<int **, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_jtype(team.team_shmem(), atoms_per_team, vector_length);
+  Kokkos::View<int **, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_jlist(team.team_shmem(), atoms_per_team, vector_length);
+  Kokkos::View<F_FLOAT **, Kokkos::ScratchMemorySpace<DeviceType>,
+               Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+      s_r(team.team_shmem(), atoms_per_team, vector_length);
+
+  // team of threads work on atoms with index in [firstatom, lastatom)
+  int firstatom = team.league_rank() * atoms_per_team;
+  int lastatom =
+      (firstatom + atoms_per_team < inum) ? (firstatom + atoms_per_team) : inum;
+
+  // kokkos-thread-0 is used to load info from global memory into scratch space
+  if (team.team_rank() == 0) {
+
+    // copy atom indices from d_ilist[firstatom:lastatom] to scratch space s_ilist[0:atoms_per_team]
+    // copy # of neighbor atoms for all the atoms with indices in d_ilist[firstatom:lastatom] from d_numneigh to scratch space s_numneigh[0:atoms_per_team]
+    // calculate total number of neighbor atoms for all atoms assigned to the current team of threads (Note - Total # of neighbor atoms here provides the
+    // upper bound space requirement to store the H matrix values corresponding to the atoms with indices in d_ilist[firstatom:lastatom])
+
+    Kokkos::parallel_scan(Kokkos::ThreadVectorRange(team, atoms_per_team),
+                          [&](const int &idx, int &totalnbrs, bool final) {
+                            int ii = firstatom + idx;
+
+                            if (ii < inum) {
+                              const int i = d_ilist[ii];
+                              int jnum = d_numneigh[i];
+
+                              if (final) {
+                                s_ilist[idx] = i;
+                                s_numnbrs[idx] = jnum;
+                                s_firstnbr[idx] = totalnbrs;
+                              }
+                              totalnbrs += jnum;
+                            } else {
+                              s_numnbrs[idx] = 0;
+                            }
+                          });
+  }
+
+  // barrier ensures that the data moved to scratch space is visible to all the
+  // threads of the corresponding team
+  team.team_barrier();
+
+  // calculate the global memory offset from where the H matrix values to be
+  // calculated by the current team will be stored in d_val
+  int team_firstnbr_idx = 0;
+  Kokkos::single(Kokkos::PerTeam(team),
+                 [=](int &val) {
+                   int totalnbrs = s_firstnbr[lastatom - firstatom - 1] +
+                                   s_numnbrs[lastatom - firstatom - 1];
+                   val = Kokkos::atomic_fetch_add(&d_mfill_offset(), totalnbrs);
+                 },
+                 team_firstnbr_idx);
+
+  // map the H matrix computation of each atom to kokkos-thread (one atom per
+  // kokkos-thread) neighbor computation for each atom is assigned to vector
+  // lanes of the corresponding thread
+  Kokkos::parallel_for(
+      Kokkos::TeamThreadRange(team, atoms_per_team), [&](const int &idx) {
+        int ii = firstatom + idx;
+
+        if (ii < inum) {
+          const int i = s_ilist[idx];
+
+          if (mask[i] & groupbit) {
+            const X_FLOAT xtmp = x(i, 0);
+            const X_FLOAT ytmp = x(i, 1);
+            const X_FLOAT ztmp = x(i, 2);
+            const int itype = type(i);
+            const tagint itag = tag(i);
+            const int jnum = s_numnbrs[idx];
+
+            // calculate the write-offset for atom-i's first neighbor
+            int atomi_firstnbr_idx = team_firstnbr_idx + s_firstnbr[idx];
+            Kokkos::single(Kokkos::PerThread(team),
+                           [&]() { d_firstnbr[i] = atomi_firstnbr_idx; });
+
+            // current # of neighbor atoms with non-zero electrostatic
+            // interaction coefficients with atom-i which represents the # of
+            // non-zero elements in row-i of H matrix
+            int atomi_nbrs_inH = 0;
+
+            // calculate H matrix values corresponding to atom-i where neighbors
+            // are processed in batches and the batch size is vector_length
+            for (int jj_start = 0; jj_start < jnum; jj_start += vector_length) {
+
+              int atomi_nbr_writeIdx = atomi_firstnbr_idx + atomi_nbrs_inH;
+
+              // count the # of neighbor atoms with non-zero electrostatic
+              // interaction coefficients with atom-i in the current batch
+              int atomi_nbrs_curbatch = 0;
+
+              // compute rsq, jtype, j and store in scratch space which is
+              // reused later
+              Kokkos::parallel_reduce(
+                  Kokkos::ThreadVectorRange(team, vector_length),
+                  [&](const int &idx, int &m_fill) {
+                    const int jj = jj_start + idx;
+
+                    // initialize: -1 represents no interaction with atom-j
+                    // where j = d_neighbors(i,jj)
+                    s_jlist(team.team_rank(), idx) = -1;
+
+                    if (jj < jnum) {
+                      int j = d_neighbors(i, jj);
+                      j &= NEIGHMASK;
+                      const int jtype = type(j);
+
+                      const X_FLOAT delx = x(j, 0) - xtmp;
+                      const X_FLOAT dely = x(j, 1) - ytmp;
+                      const X_FLOAT delz = x(j, 2) - ztmp;
+
+                      // valid nbr interaction
+                      bool valid = true;
+                      if (NEIGHFLAG != FULL) {
+                        // skip half of the interactions
+                        const tagint jtag = tag(j);
+                        if (j >= nlocal) {
+                          if (itag > jtag) {
+                            if ((itag + jtag) % 2 == 0)
+                              valid = false;
+                          } else if (itag < jtag) {
+                            if ((itag + jtag) % 2 == 1)
+                              valid = false;
+                          } else {
+                            if (x(j, 2) < ztmp)
+                              valid = false;
+                            if (x(j, 2) == ztmp && x(j, 1) < ytmp)
+                              valid = false;
+                            if (x(j, 2) == ztmp && x(j, 1) == ytmp &&
+                                x(j, 0) < xtmp)
+                              valid = false;
+                          }
+                        }
+                      }
+
+                      const F_FLOAT rsq =
+                          delx * delx + dely * dely + delz * delz;
+                      if (rsq > cutsq)
+                        valid = false;
+
+                      if (valid) {
+                        s_jlist(team.team_rank(), idx) = j;
+                        s_jtype(team.team_rank(), idx) = jtype;
+                        s_r(team.team_rank(), idx) = sqrt(rsq);
+                        m_fill++;
+                      }
+                    }
+                  },
+                  atomi_nbrs_curbatch);
+
+              // write non-zero entries of H to global memory
+              Kokkos::parallel_scan(
+                  Kokkos::ThreadVectorRange(team, vector_length),
+                  [&](const int &idx, int &m_fill, bool final) {
+                    int j = s_jlist(team.team_rank(), idx);
+                    if (final) {
+                      if (j != -1) {
+                        const int jtype = s_jtype(team.team_rank(), idx);
+                        const F_FLOAT r = s_r(team.team_rank(), idx);
+                        const F_FLOAT shldij = d_shield(itype, jtype);
+
+                        d_jlist[atomi_nbr_writeIdx + m_fill] = j;
+                        d_val[atomi_nbr_writeIdx + m_fill] =
+                            calculate_H_k(r, shldij);
+                      }
+                    }
+
+                    if (j != -1) {
+                      m_fill++;
+                    }
+                  });
+              atomi_nbrs_inH += atomi_nbrs_curbatch;
+            }
+
+            Kokkos::single(Kokkos::PerThread(team),
+                           [&]() { d_numnbrs[i] = atomi_nbrs_inH; });
+          }
+        }
+      });
+}
+
+/* ---------------------------------------------------------------------- */
+
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 double FixQEqReaxKokkos<DeviceType>::calculate_H_k(const F_FLOAT &r, const F_FLOAT &shld) const
@@ -1199,9 +1451,12 @@ double FixQEqReaxKokkos<DeviceType>::memory_usage()
 template<class DeviceType>
 void FixQEqReaxKokkos<DeviceType>::grow_arrays(int nmax)
 {
-  k_s_hist.template sync<LMPHostType>(); // force reallocation on host
+  k_s_hist.template sync<LMPHostType>();
   k_t_hist.template sync<LMPHostType>();
 
+  k_s_hist.template modify<LMPHostType>(); // force reallocation on host
+  k_t_hist.template modify<LMPHostType>();
+
   memoryKK->grow_kokkos(k_s_hist,s_hist,nmax,nprev,"qeq:s_hist");
   memoryKK->grow_kokkos(k_t_hist,t_hist,nmax,nprev,"qeq:t_hist");
 
@@ -1266,7 +1521,7 @@ int FixQEqReaxKokkos<DeviceType>::unpack_exchange(int nlocal, double *buf)
 
 namespace LAMMPS_NS {
 template class FixQEqReaxKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixQEqReaxKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_qeq_reax_kokkos.h b/src/KOKKOS/fix_qeq_reax_kokkos.h
index 23bb4f32eea1e46e3bb9d04b0e36a571c3626826..cd69aa9283da380882f8d8b9d528bf66ec2b4e2d 100644
--- a/src/KOKKOS/fix_qeq_reax_kokkos.h
+++ b/src/KOKKOS/fix_qeq_reax_kokkos.h
@@ -53,9 +53,14 @@ class FixQEqReaxKokkos : public FixQEqReax {
   KOKKOS_INLINE_FUNCTION
   void zero_item(int) const;
 
+  template<int NEIGHFLAG>
   KOKKOS_INLINE_FUNCTION
   void compute_h_item(int, int &, const bool &) const;
 
+  template<int NEIGHFLAG>
+  KOKKOS_INLINE_FUNCTION
+  void compute_h_team(const typename Kokkos::TeamPolicy <DeviceType> ::member_type &team, int, int) const;
+
   KOKKOS_INLINE_FUNCTION
   void matvec_item(int) const;
 
@@ -150,6 +155,8 @@ class FixQEqReaxKokkos : public FixQEqReax {
   int allocated_flag;
   int need_dup;
 
+  typename AT::t_int_scalar d_mfill_offset;
+
   typedef Kokkos::DualView<int***,DeviceType> tdual_int_1d;
   Kokkos::DualView<params_qeq*,Kokkos::LayoutRight,DeviceType> k_params;
   typename Kokkos::DualView<params_qeq*, Kokkos::LayoutRight,DeviceType>::t_dev_const params;
@@ -247,16 +254,51 @@ struct FixQEqReaxKokkosMatVecFunctor  {
   }
 };
 
-template <class DeviceType>
-struct FixQEqReaxKokkosComputeHFunctor  {
-  typedef DeviceType  device_type ;
+template <class DeviceType, int NEIGHFLAG>
+struct FixQEqReaxKokkosComputeHFunctor {
+  int atoms_per_team, vector_length;
+  typedef int value_type;
+  typedef Kokkos::ScratchMemorySpace<DeviceType> scratch_space;
   FixQEqReaxKokkos<DeviceType> c;
+
   FixQEqReaxKokkosComputeHFunctor(FixQEqReaxKokkos<DeviceType>* c_ptr):c(*c_ptr) {
     c.cleanup_copy();
   };
+
+  FixQEqReaxKokkosComputeHFunctor(FixQEqReaxKokkos<DeviceType> *c_ptr,
+                                  int _atoms_per_team, int _vector_length)
+      : c(*c_ptr), atoms_per_team(_atoms_per_team),
+        vector_length(_vector_length) {
+    c.cleanup_copy();
+  };
+
   KOKKOS_INLINE_FUNCTION
   void operator()(const int ii, int &m_fill, const bool &final) const {
-    c.compute_h_item(ii,m_fill,final);
+    c.template compute_h_item<NEIGHFLAG>(ii,m_fill,final);
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(
+      const typename Kokkos::TeamPolicy<DeviceType>::member_type &team) const {
+    c.template compute_h_team<NEIGHFLAG>(team, atoms_per_team, vector_length);
+  }
+
+  size_t team_shmem_size(int team_size) const {
+    size_t shmem_size =
+        Kokkos::View<int *, scratch_space, Kokkos::MemoryUnmanaged>::shmem_size(
+            atoms_per_team) + // s_ilist
+        Kokkos::View<int *, scratch_space, Kokkos::MemoryUnmanaged>::shmem_size(
+            atoms_per_team) + // s_numnbrs
+        Kokkos::View<int *, scratch_space, Kokkos::MemoryUnmanaged>::shmem_size(
+            atoms_per_team) + // s_firstnbr
+        Kokkos::View<int **, scratch_space, Kokkos::MemoryUnmanaged>::
+            shmem_size(atoms_per_team, vector_length) + // s_jtype
+        Kokkos::View<int **, scratch_space, Kokkos::MemoryUnmanaged>::
+            shmem_size(atoms_per_team, vector_length) + // s_j
+        Kokkos::View<F_FLOAT **, scratch_space,
+                     Kokkos::MemoryUnmanaged>::shmem_size(atoms_per_team,
+                                                          vector_length); // s_r
+    return shmem_size;
   }
 };
 
diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp
index f636f6454d17874737a9e951bb271da0755328b9..80333e1e9b6ee6ad140ed02d87fe9aaac820ff3e 100644
--- a/src/KOKKOS/fix_rx_kokkos.cpp
+++ b/src/KOKKOS/fix_rx_kokkos.cpp
@@ -2276,7 +2276,7 @@ void FixRxKokkos<DeviceType>::unpack_reverse_comm(int n, int *list, double *buf)
 
 namespace LAMMPS_NS {
 template class FixRxKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixRxKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_setforce_kokkos.cpp b/src/KOKKOS/fix_setforce_kokkos.cpp
index 5150c71249dd7611e006241ba735de2176329ef9..5d15b88d76336c6be6338b7e8a957ace6bd8e6bd 100644
--- a/src/KOKKOS/fix_setforce_kokkos.cpp
+++ b/src/KOKKOS/fix_setforce_kokkos.cpp
@@ -184,7 +184,7 @@ void FixSetForceKokkos<DeviceType>::operator()(TagFixSetForceNonConstant, const
 
 namespace LAMMPS_NS {
 template class FixSetForceKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixSetForceKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp
index 99e51ebe38e0a154683ff6b5476a467e3fba4941..968f877abd4411aaac30fa587f262f4e4058775a 100644
--- a/src/KOKKOS/fix_shardlow_kokkos.cpp
+++ b/src/KOKKOS/fix_shardlow_kokkos.cpp
@@ -808,7 +808,7 @@ double FixShardlowKokkos<DeviceType>::memory_usage()
 
 namespace LAMMPS_NS {
 template class FixShardlowKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixShardlowKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_wall_lj93_kokkos.cpp b/src/KOKKOS/fix_wall_lj93_kokkos.cpp
index 3aaa45f8a8d0237be4cad83bd12d4f0ecfa81b8a..5dbb05417513aee425ad980bd6da7a7722f2a14b 100644
--- a/src/KOKKOS/fix_wall_lj93_kokkos.cpp
+++ b/src/KOKKOS/fix_wall_lj93_kokkos.cpp
@@ -98,7 +98,7 @@ void FixWallLJ93Kokkos<DeviceType>::wall_particle_item(int i, value_type ewall)
 
 namespace LAMMPS_NS {
 template class FixWallLJ93Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixWallLJ93Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.cpp b/src/KOKKOS/fix_wall_reflect_kokkos.cpp
index 2516ac6577000b6f0c0de347b5e5dc60f0868b92..75a5c1a81e51bc9a7fe71aef7ccbf55be44e43bd 100644
--- a/src/KOKKOS/fix_wall_reflect_kokkos.cpp
+++ b/src/KOKKOS/fix_wall_reflect_kokkos.cpp
@@ -107,7 +107,7 @@ void FixWallReflectKokkos<DeviceType>::operator()(TagFixWallReflectPostIntegrate
 
 namespace LAMMPS_NS {
 template class FixWallReflectKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class FixWallReflectKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/gridcomm_kokkos.cpp b/src/KOKKOS/gridcomm_kokkos.cpp
index 64a9d6992f0f56a64e5cbbb3d6fb674929f5ca41..14b84a5733bcfc170baa15233014cf2dc01dd0f5 100644
--- a/src/KOKKOS/gridcomm_kokkos.cpp
+++ b/src/KOKKOS/gridcomm_kokkos.cpp
@@ -652,7 +652,7 @@ double GridCommKokkos<DeviceType>::memory_usage()
 
 namespace LAMMPS_NS {
 template class GridCommKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class GridCommKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/improper_class2_kokkos.cpp b/src/KOKKOS/improper_class2_kokkos.cpp
index 2a7e8076d4be08d8f9c4a9a68d45dc92393db8ed..ad32e6da4e152123826e65d2099fcc87878c12a2 100644
--- a/src/KOKKOS/improper_class2_kokkos.cpp
+++ b/src/KOKKOS/improper_class2_kokkos.cpp
@@ -71,8 +71,7 @@ void ImproperClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -1134,7 +1133,7 @@ void ImproperClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, cons
 
 namespace LAMMPS_NS {
 template class ImproperClass2Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class ImproperClass2Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/improper_harmonic_kokkos.cpp b/src/KOKKOS/improper_harmonic_kokkos.cpp
index b364d0b0c78a873527483ff768a5ab800d0ddea1..bb397a2c2f43a1bffacaec450880dc76a84f2b6c 100644
--- a/src/KOKKOS/improper_harmonic_kokkos.cpp
+++ b/src/KOKKOS/improper_harmonic_kokkos.cpp
@@ -71,8 +71,7 @@ void ImproperHarmonicKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   eflag = eflag_in;
   vflag = vflag_in;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -484,7 +483,7 @@ void ImproperHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, co
 
 namespace LAMMPS_NS {
 template class ImproperHarmonicKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class ImproperHarmonicKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/kokkos.cpp b/src/KOKKOS/kokkos.cpp
index 9973b5a68812be2d162874a348547a9b226fec88..3fa84d98b21f91b1a3771d3ce8fe1e843945ce11 100644
--- a/src/KOKKOS/kokkos.cpp
+++ b/src/KOKKOS/kokkos.cpp
@@ -26,7 +26,7 @@
 #include "error.h"
 #include "memory_kokkos.h"
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 
 // for detecting GPU-direct support:
 // the function  int have_gpu_direct()
@@ -55,7 +55,7 @@ GPU_DIRECT_UNKNOWN
 GPU_DIRECT_UNKNOWN
 #endif
 
-#endif // KOKKOS_HAVE_CUDA
+#endif // KOKKOS_ENABLE_CUDA
 
 using namespace LAMMPS_NS;
 
@@ -78,9 +78,9 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   // process any command-line args that invoke Kokkos settings
 
-  ngpu = 0;
+  ngpus = 0;
   int device = 0;
-  num_threads = 1;
+  nthreads = 1;
   numa = 1;
 
   int iarg = 0;
@@ -92,11 +92,11 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
     } else if (strcmp(arg[iarg],"g") == 0 ||
                strcmp(arg[iarg],"gpus") == 0) {
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
       error->all(FLERR,"GPUs are requested but Kokkos has not been compiled for CUDA");
 #endif
       if (iarg+2 > narg) error->all(FLERR,"Invalid Kokkos command-line args");
-      ngpu = atoi(arg[iarg+1]);
+      ngpus = atoi(arg[iarg+1]);
 
       int skip_gpu = 9999;
       if (iarg+2 < narg && isdigit(arg[iarg+2][0])) {
@@ -108,23 +108,23 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
       char *str;
       if ((str = getenv("SLURM_LOCALID"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
       if ((str = getenv("MV2_COMM_WORLD_LOCAL_RANK"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
       if ((str = getenv("OMPI_COMM_WORLD_LOCAL_RANK"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
 
     } else if (strcmp(arg[iarg],"t") == 0 ||
                strcmp(arg[iarg],"threads") == 0) {
-      num_threads = atoi(arg[iarg+1]);
+      nthreads = atoi(arg[iarg+1]);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"n") == 0 ||
@@ -138,12 +138,12 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   // initialize Kokkos
 
   if (me == 0) {
-    if (screen) fprintf(screen,"  will use up to %d GPU(s) per node\n",ngpu);
-    if (logfile) fprintf(logfile,"  will use up to %d GPU(s) per node\n",ngpu);
+    if (screen) fprintf(screen,"  will use up to %d GPU(s) per node\n",ngpus);
+    if (logfile) fprintf(logfile,"  will use up to %d GPU(s) per node\n",ngpus);
   }
 
-#ifdef KOKKOS_HAVE_CUDA
-  if (ngpu <= 0)
+#ifdef KOKKOS_ENABLE_CUDA
+  if (ngpus <= 0)
     error->all(FLERR,"Kokkos has been compiled for CUDA but no GPUs are requested");
 
   // check and warn about GPU-direct availability when using multiple MPI tasks
@@ -166,15 +166,15 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   }
 #endif
 
-#ifndef KOKKOS_HAVE_SERIAL
-  if (num_threads == 1)
+#ifndef KOKKOS_ENABLE_SERIAL
+  if (nthreads == 1)
     error->warning(FLERR,"When using a single thread, the Kokkos Serial backend "
                          "(i.e. Makefile.kokkos_mpi_only) gives better performance "
                          "than the OpenMP backend");
 #endif
 
   Kokkos::InitArguments args;
-  args.num_threads = num_threads;
+  args.num_threads = nthreads;
   args.num_numa = numa;
   args.device_id = device;
 
@@ -182,16 +182,29 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   // default settings for package kokkos command
 
-  neighflag = FULL;
-  neighflag_qeq = FULL;
-  neighflag_qeq_set = 0;
-  exchange_comm_classic = 0;
-  forward_comm_classic = 0;
-  reverse_comm_classic = 0;
-  exchange_comm_on_host = 0;
-  forward_comm_on_host = 0;
-  reverse_comm_on_host = 0;
+  binsize = 0.0;
   gpu_direct_flag = 1;
+  neigh_thread = 0;
+  neigh_thread_set = 0;
+  neighflag_qeq_set = 0;
+  if (ngpus > 0) {
+    neighflag = FULL;
+    neighflag_qeq = FULL;
+    newtonflag = 0;
+    exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 0;
+    exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
+  } else {
+    if (nthreads > 1) {
+      neighflag = HALFTHREAD;
+      neighflag_qeq = HALFTHREAD;
+    } else {
+      neighflag = HALF;
+      neighflag_qeq = HALF;
+    }
+    newtonflag = 1;
+    exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 1;
+    exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
+  }
 
 #if KOKKOS_USE_CUDA
   // only if we can safely detect, that GPU-direct is not available, change default
@@ -218,24 +231,13 @@ KokkosLMP::~KokkosLMP()
 
 void KokkosLMP::accelerator(int narg, char **arg)
 {
-  // defaults
-
-  neighflag = FULL;
-  neighflag_qeq = FULL;
-  neighflag_qeq_set = 0;
-  int newtonflag = 0;
-  double binsize = 0.0;
-  exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 0;
-  exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
-  gpu_direct_flag = 1;
-
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"neigh") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
       if (strcmp(arg[iarg+1],"full") == 0) neighflag = FULL;
       else if (strcmp(arg[iarg+1],"half") == 0) {
-        if (num_threads > 1 || ngpu > 0)
+        if (nthreads > 1 || ngpus > 0)
           neighflag = HALFTHREAD;
         else
           neighflag = HALF;
@@ -247,7 +249,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
       if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
       if (strcmp(arg[iarg+1],"full") == 0) neighflag_qeq = FULL;
       else if (strcmp(arg[iarg+1],"half") == 0) {
-        if (num_threads > 1 || ngpu > 0)
+        if (nthreads > 1 || ngpus > 0)
           neighflag_qeq = HALFTHREAD;
         else
           neighflag_qeq = HALF;
@@ -317,6 +319,13 @@ void KokkosLMP::accelerator(int narg, char **arg)
       else if (strcmp(arg[iarg+1],"on") == 0) gpu_direct_flag = 1;
       else error->all(FLERR,"Illegal package kokkos command");
       iarg += 2;
+    } else if (strcmp(arg[iarg],"neigh/thread") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
+      if (strcmp(arg[iarg+1],"off") == 0) neigh_thread = 0;
+      else if (strcmp(arg[iarg+1],"on") == 0) neigh_thread = 1;
+      else error->all(FLERR,"Illegal package kokkos command");
+      neigh_thread_set = 1;
+      iarg += 2;
     } else error->all(FLERR,"Illegal package kokkos command");
   }
 
@@ -336,6 +345,9 @@ void KokkosLMP::accelerator(int narg, char **arg)
 
   force->newton = force->newton_pair = force->newton_bond = newtonflag;
 
+  if (neigh_thread && neighflag != FULL)
+    error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'neigh/thread on'");
+
   neighbor->binsize_user = binsize;
   if (binsize <= 0.0) neighbor->binsizeflag = 0;
   else neighbor->binsizeflag = 1;
diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h
index cd429d5c1cb343924c16347a7c9dc44002ef34ff..46044799c4612a160333c849df943664944f15f8 100644
--- a/src/KOKKOS/kokkos.h
+++ b/src/KOKKOS/kokkos.h
@@ -32,10 +32,14 @@ class KokkosLMP : protected Pointers {
   int exchange_comm_on_host;
   int forward_comm_on_host;
   int reverse_comm_on_host;
-  int num_threads,ngpu;
+  int nthreads,ngpus;
   int numa;
   int auto_sync;
   int gpu_direct_flag;
+  int neigh_thread;
+  int neigh_thread_set;
+  int newtonflag;
+  double binsize;
 
   KokkosLMP(class LAMMPS *, int, char **);
   ~KokkosLMP();
@@ -85,4 +89,8 @@ U: Must use Kokkos half/thread or full neighbor list with threads or GPUs
 
 Using Kokkos half-neighbor lists with threading is not allowed.
 
+E: Must use KOKKOS package option 'neigh full' with 'neigh/thread on'
+
+The 'neigh/thread on' option requires a full neighbor list
+
 */
diff --git a/src/KOKKOS/kokkos_type.h b/src/KOKKOS/kokkos_type.h
index b88c92ff7309667fa2c300efdd31b4590ebd2b4a..942c2af2412d8de02c2c27c61c73f4b995730dc6 100644
--- a/src/KOKKOS/kokkos_type.h
+++ b/src/KOKKOS/kokkos_type.h
@@ -24,7 +24,7 @@
 
 enum{FULL=1u,HALFTHREAD=2u,HALF=4u,N2=8u};
 
-#if defined(KOKKOS_HAVE_CXX11)
+#if defined(KOKKOS_ENABLE_CXX11)
 #undef ISFINITE
 #define ISFINITE(x) std::isfinite(x)
 #endif
@@ -201,7 +201,7 @@ template<>
 struct ExecutionSpaceFromDevice<LMPHostType> {
   static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Host;
 };
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template<>
 struct ExecutionSpaceFromDevice<Kokkos::Cuda> {
   static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Device;
@@ -448,6 +448,52 @@ struct s_EV_FLOAT_REAX {
 };
 typedef struct s_EV_FLOAT_REAX EV_FLOAT_REAX;
 
+struct s_FEV_FLOAT {
+  F_FLOAT f[3];
+  E_FLOAT evdwl;
+  E_FLOAT ecoul;
+  E_FLOAT v[6];
+  KOKKOS_INLINE_FUNCTION
+  s_FEV_FLOAT() {
+    f[0] = 0; f[1] = 0; f[2] = 0;
+    evdwl = 0;
+    ecoul = 0;
+    v[0] = 0; v[1] = 0; v[2] = 0;
+    v[3] = 0; v[4] = 0; v[5] = 0;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator+=(const s_FEV_FLOAT &rhs) {
+    f[0] += rhs.f[0];
+    f[1] += rhs.f[1];
+    f[2] += rhs.f[2];
+    evdwl += rhs.evdwl;
+    ecoul += rhs.ecoul;
+    v[0] += rhs.v[0];
+    v[1] += rhs.v[1];
+    v[2] += rhs.v[2];
+    v[3] += rhs.v[3];
+    v[4] += rhs.v[4];
+    v[5] += rhs.v[5];
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator+=(const volatile s_FEV_FLOAT &rhs) volatile {
+    f[0] += rhs.f[0];
+    f[1] += rhs.f[1];
+    f[2] += rhs.f[2];
+    evdwl += rhs.evdwl;
+    ecoul += rhs.ecoul;
+    v[0] += rhs.v[0];
+    v[1] += rhs.v[1];
+    v[2] += rhs.v[2];
+    v[3] += rhs.v[3];
+    v[4] += rhs.v[4];
+    v[5] += rhs.v[5];
+  }
+};
+typedef struct s_FEV_FLOAT FEV_FLOAT;
+
 #ifndef PREC_POS
 #define PREC_POS PRECISION
 #endif
@@ -776,7 +822,7 @@ typedef tdual_int_64::t_dev_um t_int_64_um;
 
 };
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template <>
 struct ArrayTypes<LMPHostType> {
 
@@ -1074,7 +1120,7 @@ void memset_kokkos (ViewType &view) {
   #ifndef KOKKOS_USING_DEPRECATED_VIEW
   Kokkos::parallel_for(view.span()*sizeof(typename ViewType::value_type)/4, f);
   #else
-  Kokkos::parallel_for(view.capacity()*sizeof(typename ViewType::value_type)/4, f);
+  Kokkos::parallel_for(view.span()*sizeof(typename ViewType::value_type)/4, f);
   #endif
   ViewType::execution_space::fence();
 }
@@ -1087,12 +1133,12 @@ struct params_lj_coul {
   F_FLOAT cut_ljsq,cut_coulsq,lj1,lj2,lj3,lj4,offset;
 };
 
-#if defined(KOKKOS_HAVE_CXX11)
+#if defined(KOKKOS_ENABLE_CXX11)
 #undef ISFINITE
 #define ISFINITE(x) std::isfinite(x)
 #endif
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 #define LAMMPS_LAMBDA [=] __device__
 #else
 #define LAMMPS_LAMBDA [=]
diff --git a/src/KOKKOS/nbin_kokkos.cpp b/src/KOKKOS/nbin_kokkos.cpp
index c35c34967517291b67407a3f78f81773d7e9fe68..090519a5a8ec465f32ea36ead2585c69c3d77f2a 100644
--- a/src/KOKKOS/nbin_kokkos.cpp
+++ b/src/KOKKOS/nbin_kokkos.cpp
@@ -146,7 +146,7 @@ void NBinKokkos<DeviceType>::binatomsItem(const int &i) const
 
 namespace LAMMPS_NS {
 template class NBinKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NBinKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/nbin_ssa_kokkos.cpp b/src/KOKKOS/nbin_ssa_kokkos.cpp
index d040ee2c83f55194402830e76173d600474b275d..ecf0e08535ca53de6b1d6547a984b636954b9ef2 100644
--- a/src/KOKKOS/nbin_ssa_kokkos.cpp
+++ b/src/KOKKOS/nbin_ssa_kokkos.cpp
@@ -301,7 +301,7 @@ void NBinSSAKokkos<DeviceType>::sortBin(
 
 namespace LAMMPS_NS {
 template class NBinSSAKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NBinSSAKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/neigh_bond_kokkos.cpp b/src/KOKKOS/neigh_bond_kokkos.cpp
index 615dc94ee2faf6d2c690557909757b9a0525181d..34858ff1e101e86910d6c80321629ae50cd174ec 100644
--- a/src/KOKKOS/neigh_bond_kokkos.cpp
+++ b/src/KOKKOS/neigh_bond_kokkos.cpp
@@ -200,6 +200,7 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()
 {
   atomKK->sync(execution_space, X_MASK | TAG_MASK);
   int nall = atom->nlocal + atom->nghost;
+  int nmax = atom->nmax;
 
   nlocal = atom->nlocal;
   x = atomKK->k_x.view<DeviceType>();
@@ -215,7 +216,9 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()
 
   int* map_array_host = atom->get_map_array();
   int map_size = atom->get_map_size();
-  k_map_array = DAT::tdual_int_1d("NeighBond:map_array",map_size);
+  int map_maxarray = atom->get_map_maxarray();
+  if (map_maxarray > k_map_array.extent(0))
+    k_map_array = DAT::tdual_int_1d("NeighBond:map_array",map_maxarray);
   for (int i=0; i<map_size; i++)
     k_map_array.h_view[i] = map_array_host[i];
   k_map_array.template modify<LMPHostType>();
@@ -223,7 +226,8 @@ void NeighBondKokkos<DeviceType>::build_topology_kk()
   map_array = k_map_array.view<DeviceType>();
 
   int* sametag_host = atomKK->sametag;
-  k_sametag = DAT::tdual_int_1d("NeighBond:sametag",nall);
+  if (nmax > k_sametag.extent(0))
+    k_sametag = DAT::tdual_int_1d("NeighBond:sametag",nmax);
   for (int i=0; i<nall; i++)
     k_sametag.h_view[i] = sametag_host[i];
   k_sametag.template modify<LMPHostType>();
@@ -1301,7 +1305,7 @@ void NeighBondKokkos<DeviceType>::update_domain_variables()
 
 namespace LAMMPS_NS {
 template class NeighBondKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NeighBondKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/neigh_list_kokkos.cpp b/src/KOKKOS/neigh_list_kokkos.cpp
index 93cf0af937a5e695e8f19f1d6bb18a12032deab7..1c78fe3a685f583bbb5c2c5a08040f82f1f08864 100644
--- a/src/KOKKOS/neigh_list_kokkos.cpp
+++ b/src/KOKKOS/neigh_list_kokkos.cpp
@@ -53,7 +53,7 @@ void NeighListKokkos<Device>::grow(int nmax)
 
 namespace LAMMPS_NS {
 template class NeighListKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NeighListKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/neighbor_kokkos.cpp b/src/KOKKOS/neighbor_kokkos.cpp
index 6cd5c4e6e597c93c306156550bc7bd73787d6c28..e912956a3f94a8eac0133151f396e06bdb694bfb 100644
--- a/src/KOKKOS/neighbor_kokkos.cpp
+++ b/src/KOKKOS/neighbor_kokkos.cpp
@@ -30,6 +30,7 @@
 #include "style_nstencil.h"
 #include "style_npair.h"
 #include "style_ntopo.h"
+#include "comm.h"
 
 using namespace LAMMPS_NS;
 
@@ -359,6 +360,14 @@ void NeighborKokkos::modify_mol_intra_grow_kokkos(){
   k_ex_mol_intra.modify<LMPHostType>();
 }
 
+/* ---------------------------------------------------------------------- */
+void NeighborKokkos::set_binsize_kokkos() {
+  if (!binsizeflag && lmp->kokkos->ngpus > 0) {
+    binsize_user = cutneighmax;
+    binsizeflag = 1;
+  }
+}
+
 /* ---------------------------------------------------------------------- */
 
 void NeighborKokkos::init_topology() {
diff --git a/src/KOKKOS/neighbor_kokkos.h b/src/KOKKOS/neighbor_kokkos.h
index 5c98c4d26db2d74b70747f705f0e9f755bae8edd..3829502c0d967117c350a5ac9eee22014cf7dcd1 100644
--- a/src/KOKKOS/neighbor_kokkos.h
+++ b/src/KOKKOS/neighbor_kokkos.h
@@ -87,6 +87,7 @@ class NeighborKokkos : public Neighbor {
   void modify_ex_group_grow_kokkos();
   void modify_mol_group_grow_kokkos();
   void modify_mol_intra_grow_kokkos();
+  void set_binsize_kokkos();
 };
 
 }
diff --git a/src/KOKKOS/npair_copy_kokkos.cpp b/src/KOKKOS/npair_copy_kokkos.cpp
index 8702816033799d00aa871d47012404326f831ce8..7dde05745ceea4131756524c9c43746ee5617854 100644
--- a/src/KOKKOS/npair_copy_kokkos.cpp
+++ b/src/KOKKOS/npair_copy_kokkos.cpp
@@ -53,7 +53,7 @@ void NPairCopyKokkos<DeviceType>::build(NeighList *list)
 
 namespace LAMMPS_NS {
 template class NPairCopyKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NPairCopyKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/npair_halffull_kokkos.cpp b/src/KOKKOS/npair_halffull_kokkos.cpp
index 67481985da1e578c390ebbe4b6728dc7215d4656..cc8f663ef23fe37080eb88b284ecc0204f6b52c1 100644
--- a/src/KOKKOS/npair_halffull_kokkos.cpp
+++ b/src/KOKKOS/npair_halffull_kokkos.cpp
@@ -121,7 +121,7 @@ void NPairHalffullKokkos<DeviceType,NEWTON>::operator()(TagNPairHalffullCompute,
 namespace LAMMPS_NS {
 template class NPairHalffullKokkos<LMPDeviceType,0>;
 template class NPairHalffullKokkos<LMPDeviceType,1>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NPairHalffullKokkos<LMPHostType,0>;
 template class NPairHalffullKokkos<LMPHostType,1>;
 #endif
diff --git a/src/KOKKOS/npair_kokkos.cpp b/src/KOKKOS/npair_kokkos.cpp
index 88017c3f9dddef582fc9d95549280ed07ec79e95..4daf4b84c55bdb5a13b4c7f11b3545476cbc1f99 100644
--- a/src/KOKKOS/npair_kokkos.cpp
+++ b/src/KOKKOS/npair_kokkos.cpp
@@ -15,6 +15,7 @@
 #include "atom_kokkos.h"
 #include "atom_masks.h"
 #include "domain_kokkos.h"
+#include "update.h"
 #include "neighbor_kokkos.h"
 #include "nbin_kokkos.h"
 #include "nstencil.h"
@@ -27,6 +28,16 @@ namespace LAMMPS_NS {
 template<class DeviceType, int HALF_NEIGH, int GHOST, int TRI, int SIZE>
 NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::NPairKokkos(LAMMPS *lmp) : NPair(lmp) {
 
+  // use 1D view for scalars to reduce GPU memory operations
+
+  d_scalars = typename AT::t_int_1d("neighbor:scalars",2);
+  h_scalars = HAT::t_int_1d("neighbor:scalars_mirror",2);
+
+  d_resize = Kokkos::subview(d_scalars,0);
+  d_new_maxneighs = Kokkos::subview(d_scalars,1);
+
+  h_resize = Kokkos::subview(h_scalars,0);
+  h_new_maxneighs = Kokkos::subview(h_scalars,1);
 }
 
 /* ----------------------------------------------------------------------
@@ -84,27 +95,30 @@ template<class DeviceType, int HALF_NEIGH, int GHOST, int TRI, int SIZE>
 void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::copy_stencil_info()
 {
   NPair::copy_stencil_info();
-
   nstencil = ns->nstencil;
 
-  int maxstencil = ns->get_maxstencil();
-
-  if (maxstencil > k_stencil.extent(0))
-    k_stencil = DAT::tdual_int_1d("neighlist:stencil",maxstencil);
-  for (int k = 0; k < maxstencil; k++)
-    k_stencil.h_view(k) = ns->stencil[k];
-    k_stencil.modify<LMPHostType>();
-    k_stencil.sync<DeviceType>();
-  if (GHOST) {
-    if (maxstencil > k_stencilxyz.extent(0))
-      k_stencilxyz = DAT::tdual_int_1d_3("neighlist:stencilxyz",maxstencil);
-    for (int k = 0; k < maxstencil; k++) {
-      k_stencilxyz.h_view(k,0) = ns->stencilxyz[k][0];
-      k_stencilxyz.h_view(k,1) = ns->stencilxyz[k][1];
-      k_stencilxyz.h_view(k,2) = ns->stencilxyz[k][2];
+  if (neighbor->last_setup_bins == update->ntimestep) {
+    // copy stencil to device as it may have changed
+
+    int maxstencil = ns->get_maxstencil();
+    
+    if (maxstencil > k_stencil.extent(0))
+      k_stencil = DAT::tdual_int_1d("neighlist:stencil",maxstencil);
+    for (int k = 0; k < maxstencil; k++)
+      k_stencil.h_view(k) = ns->stencil[k];
+      k_stencil.modify<LMPHostType>();
+      k_stencil.sync<DeviceType>();
+    if (GHOST) {
+      if (maxstencil > k_stencilxyz.extent(0))
+        k_stencilxyz = DAT::tdual_int_1d_3("neighlist:stencilxyz",maxstencil);
+      for (int k = 0; k < maxstencil; k++) {
+        k_stencilxyz.h_view(k,0) = ns->stencilxyz[k][0];
+        k_stencilxyz.h_view(k,1) = ns->stencilxyz[k][1];
+        k_stencilxyz.h_view(k,2) = ns->stencilxyz[k][2];
+      }
+      k_stencilxyz.modify<LMPHostType>();
+      k_stencilxyz.sync<DeviceType>();
     }
-    k_stencilxyz.modify<LMPHostType>();
-    k_stencilxyz.sync<DeviceType>();
   }
 }
 
@@ -126,7 +140,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
          k_bincount.view<DeviceType>(),
          k_bins.view<DeviceType>(),
          k_atom2bin.view<DeviceType>(),
-         nstencil,
+         mbins,nstencil,
          k_stencil.view<DeviceType>(),
          k_stencilxyz.view<DeviceType>(),
          nlocal,
@@ -157,7 +171,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
          bboxhi,bboxlo,
          domain->xperiodic,domain->yperiodic,domain->zperiodic,
          domain->xprd_half,domain->yprd_half,domain->zprd_half,
-	 skin);
+         skin,d_resize,h_resize,d_new_maxneighs,h_new_maxneighs);
 
   k_cutneighsq.sync<DeviceType>();
   k_ex1_type.sync<DeviceType>();
@@ -173,7 +187,18 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
   k_bincount.sync<DeviceType>();
   k_bins.sync<DeviceType>();
   k_atom2bin.sync<DeviceType>();
-  atomKK->sync(Device,X_MASK|RADIUS_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK|TAG_MASK|SPECIAL_MASK);
+
+  if (atom->molecular) {
+    if (exclude)
+      atomKK->sync(Device,X_MASK|RADIUS_MASK|TYPE_MASK|MASK_MASK|MOLECULE_MASK|TAG_MASK|SPECIAL_MASK);
+    else
+      atomKK->sync(Device,X_MASK|RADIUS_MASK|TYPE_MASK|TAG_MASK|SPECIAL_MASK);
+  } else {
+    if (exclude)
+      atomKK->sync(Device,X_MASK|RADIUS_MASK|TYPE_MASK|MASK_MASK);
+    else
+      atomKK->sync(Device,X_MASK|RADIUS_MASK|TYPE_MASK);
+  }
 
   data.special_flag[0] = special_flag[0];
   data.special_flag[1] = special_flag[1];
@@ -185,9 +210,8 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
     data.h_new_maxneighs() = list->maxneighs;
     data.h_resize() = 0;
 
-    Kokkos::deep_copy(data.resize, data.h_resize);
-    Kokkos::deep_copy(data.new_maxneighs, data.h_new_maxneighs);
-#ifdef KOKKOS_HAVE_CUDA
+    Kokkos::deep_copy(d_scalars, h_scalars);
+#ifdef KOKKOS_ENABLE_CUDA
     #define BINS_PER_BLOCK 2
     const int factor = atoms_per_bin<64?2:1;
     Kokkos::TeamPolicy<DeviceType> config((mbins+factor-1)/factor,atoms_per_bin*factor);
@@ -202,7 +226,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
       if (newton_pair) {
 	if (SIZE) {
 	  NPairKokkosBuildFunctorSize<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 	  if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
 	    Kokkos::parallel_for(config, f);
 	  else
@@ -212,7 +236,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
 #endif
 	} else {
 	  NPairKokkosBuildFunctor<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 	  if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
 	    Kokkos::parallel_for(config, f);
 	  else
@@ -224,7 +248,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
       } else {
 	if (SIZE) {
 	  NPairKokkosBuildFunctorSize<DeviceType,HALF_NEIGH,0,0> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 	  if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
 	    Kokkos::parallel_for(config, f);
 	  else
@@ -234,7 +258,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
 #endif
 	} else {
 	  NPairKokkosBuildFunctor<DeviceType,HALF_NEIGH,0,0> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 	  if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
 	    Kokkos::parallel_for(config, f);
 	  else
@@ -245,10 +269,9 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
 	}
       }
     }
-    deep_copy(data.h_resize, data.resize);
+    Kokkos::deep_copy(h_scalars, d_scalars);
 
     if(data.h_resize()) {
-      deep_copy(data.h_new_maxneighs, data.new_maxneighs);
       list->maxneighs = data.h_new_maxneighs() * 1.2;
       list->d_neighbors = typename ArrayTypes<DeviceType>::t_neighbors_2d("neighbors", list->d_neighbors.extent(0), list->maxneighs);
       data.neigh_list.d_neighbors = list->d_neighbors;
@@ -470,7 +493,7 @@ void NeighborKokkosExecute<DeviceType>::
 
 /* ---------------------------------------------------------------------- */
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 extern __shared__ X_FLOAT sharedmem[];
 
 /* ---------------------------------------------------------------------- */
@@ -488,7 +511,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemCuda(typename Kokkos::TeamPoli
 
   const int ibin = dev.league_rank()*BINS_PER_TEAM+MY_BIN;
 
-  if(ibin >=c_bincount.extent(0)) return;
+  if(ibin >= mbins) return;
   X_FLOAT* other_x = sharedmem;
   other_x = other_x + 5*atoms_per_bin*MY_BIN;
 
@@ -910,7 +933,7 @@ void NeighborKokkosExecute<DeviceType>::
 
 /* ---------------------------------------------------------------------- */
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template<class DeviceType> template<int HalfNeigh,int Newton,int Tri>
 __device__ inline
 void NeighborKokkosExecute<DeviceType>::build_ItemSizeCuda(typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const
@@ -924,7 +947,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeCuda(typename Kokkos::Team
 
   const int ibin = dev.league_rank()*BINS_PER_TEAM+MY_BIN;
 
-  if(ibin >=c_bincount.extent(0)) return;
+  if(ibin >= mbins) return;
   X_FLOAT* other_x = sharedmem;
   other_x = other_x + 6*atoms_per_bin*MY_BIN;
 
@@ -1093,7 +1116,7 @@ template class NPairKokkos<LMPDeviceType,1,1,0,0>;
 template class NPairKokkos<LMPDeviceType,1,0,1,0>;
 template class NPairKokkos<LMPDeviceType,1,0,0,1>;
 template class NPairKokkos<LMPDeviceType,1,0,1,1>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NPairKokkos<LMPHostType,0,0,0,0>;
 template class NPairKokkos<LMPHostType,0,1,0,0>;
 template class NPairKokkos<LMPHostType,1,0,0,0>;
diff --git a/src/KOKKOS/npair_kokkos.h b/src/KOKKOS/npair_kokkos.h
index 970e40c9fca0f2a54f2c6a342d5ac994b9d70fbc..2a3994f584992d5248a17c666166751b8bca6894 100644
--- a/src/KOKKOS/npair_kokkos.h
+++ b/src/KOKKOS/npair_kokkos.h
@@ -95,6 +95,8 @@ namespace LAMMPS_NS {
 
 template<class DeviceType, int HALF_NEIGH, int GHOST, int TRI, int SIZE>
 class NPairKokkos : public NPair {
+  typedef ArrayTypes<DeviceType> AT;
+
  public:
   NPairKokkos(class LAMMPS *);
   ~NPairKokkos() {}
@@ -105,6 +107,12 @@ class NPairKokkos : public NPair {
 
  private:
   int newton_pair;
+  typename AT::t_int_1d d_scalars;
+  HAT::t_int_1d h_scalars;
+  typename AT::t_int_scalar d_resize;
+  typename AT::t_int_scalar d_new_maxneighs;
+  HAT::t_int_scalar h_resize;
+  HAT::t_int_scalar h_new_maxneighs;
 
   // data from Neighbor class
 
@@ -165,6 +173,7 @@ class NeighborKokkosExecute
 
   // data from NBin class
 
+  const int mbins;
   const typename AT::t_int_1d bincount;
   const typename AT::t_int_1d_const c_bincount;
   typename AT::t_int_2d bins;
@@ -218,7 +227,7 @@ class NeighborKokkosExecute
                         const typename AT::t_int_1d &_bincount,
                         const typename AT::t_int_2d &_bins,
                         const typename AT::t_int_1d &_atom2bin,
-                        const int _nstencil,
+                        const int _mbins,const int _nstencil,
                         const typename AT::t_int_1d &_d_stencil,
                         const typename AT::t_int_1d_3 &_d_stencilxyz,
                         const int _nlocal,
@@ -251,8 +260,12 @@ class NeighborKokkosExecute
                         const X_FLOAT *_bboxhi, const X_FLOAT* _bboxlo,
                         const int & _xperiodic, const int & _yperiodic, const int & _zperiodic,
                         const int & _xprd_half, const int & _yprd_half, const int & _zprd_half,
-                        const X_FLOAT _skin):
-    neigh_list(_neigh_list), cutneighsq(_cutneighsq),
+                        const X_FLOAT _skin,
+                        const typename AT::t_int_scalar _resize,
+                        const typename ArrayTypes<LMPHostType>::t_int_scalar _h_resize,
+                        const typename AT::t_int_scalar _new_maxneighs,
+                        const typename ArrayTypes<LMPHostType>::t_int_scalar _h_new_maxneighs):
+    neigh_list(_neigh_list), cutneighsq(_cutneighsq),mbins(_mbins),
     bincount(_bincount),c_bincount(_bincount),bins(_bins),c_bins(_bins),
     atom2bin(_atom2bin),c_atom2bin(_atom2bin),
     nstencil(_nstencil),d_stencil(_d_stencil),d_stencilxyz(_d_stencilxyz),
@@ -272,7 +285,8 @@ class NeighborKokkosExecute
     ex_mol_intra(_ex_mol_intra),
     xperiodic(_xperiodic),yperiodic(_yperiodic),zperiodic(_zperiodic),
     xprd_half(_xprd_half),yprd_half(_yprd_half),zprd_half(_zprd_half),
-    skin(_skin) {
+    skin(_skin),resize(_resize),h_resize(_h_resize),
+    new_maxneighs(_new_maxneighs),h_new_maxneighs(_h_new_maxneighs) {
 
     if (molecular == 2) moltemplate = 1;
     else moltemplate = 0;
@@ -280,20 +294,7 @@ class NeighborKokkosExecute
     bboxlo[0] = _bboxlo[0]; bboxlo[1] = _bboxlo[1]; bboxlo[2] = _bboxlo[2];
     bboxhi[0] = _bboxhi[0]; bboxhi[1] = _bboxhi[1]; bboxhi[2] = _bboxhi[2];
 
-    resize = typename AT::t_int_scalar("NeighborKokkosFunctor::resize");
-#ifndef KOKKOS_USE_CUDA_UVM
-    h_resize = Kokkos::create_mirror_view(resize);
-#else
-    h_resize = resize;
-#endif
     h_resize() = 1;
-    new_maxneighs = typename AT::
-      t_int_scalar("NeighborKokkosFunctor::new_maxneighs");
-#ifndef KOKKOS_USE_CUDA_UVM
-    h_new_maxneighs = Kokkos::create_mirror_view(new_maxneighs);
-#else
-    h_new_maxneighs = new_maxneighs;
-#endif
     h_new_maxneighs() = neigh_list.maxneighs;
   };
 
@@ -311,7 +312,7 @@ class NeighborKokkosExecute
   KOKKOS_FUNCTION
   void build_ItemSize(const int &i) const;
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
   template<int HalfNeigh, int Newton, int Tri>
   __device__ inline
   void build_ItemCuda(typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const;
@@ -388,7 +389,7 @@ struct NPairKokkosBuildFunctor {
   void operator() (const int & i) const {
     c.template build_Item<HALF_NEIGH,GHOST_NEWTON,TRI>(i);
   }
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
   __device__ inline
 
   void operator() (typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const {
@@ -449,7 +450,7 @@ struct NPairKokkosBuildFunctorSize {
     c.template build_ItemSize<HALF_NEIGH,GHOST_NEWTON,TRI>(i);
   }
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
   __device__ inline
   void operator() (typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const {
     c.template build_ItemSizeCuda<HALF_NEIGH,GHOST_NEWTON,TRI>(dev);
diff --git a/src/KOKKOS/npair_skip_kokkos.cpp b/src/KOKKOS/npair_skip_kokkos.cpp
index c537afaa6b8344d110e9f6d6f52430f92ba47e91..e614e624c91cc738d46b06f29fe147800cbed3b6 100644
--- a/src/KOKKOS/npair_skip_kokkos.cpp
+++ b/src/KOKKOS/npair_skip_kokkos.cpp
@@ -151,7 +151,7 @@ void NPairSkipKokkos<DeviceType>::operator()(TagNPairSkipCountLocal, const int &
 
 namespace LAMMPS_NS {
 template class NPairSkipKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NPairSkipKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/npair_ssa_kokkos.cpp b/src/KOKKOS/npair_ssa_kokkos.cpp
index d17e341f15e3ed9f8135ddfc84bcdea51d3cecd9..5234c4e6d27bc7b2009d37924dead90d53a2e090 100644
--- a/src/KOKKOS/npair_ssa_kokkos.cpp
+++ b/src/KOKKOS/npair_ssa_kokkos.cpp
@@ -751,7 +751,7 @@ void NPairSSAKokkosExecute<DeviceType>::build_ghosts_onePhase(int workPhase) con
 
 namespace LAMMPS_NS {
 template class NPairSSAKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class NPairSSAKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp b/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp
index 9c12d2c978f7a385dfb11f82e34b55984cc0ec76..57ac3a9c57eb9735597cb8546b05071b1f8d7e52 100644
--- a/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp
+++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp
@@ -92,8 +92,7 @@ void PairBuckCoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -360,7 +359,7 @@ double PairBuckCoulCutKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairBuckCoulCutKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairBuckCoulCutKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
index 4978d3d7fc3b210ecb98dbd55413014aff67ae8a..349c4c060139fe2d2a5e8b7255920f91454de6c5 100644
--- a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
@@ -111,8 +111,7 @@ void PairBuckCoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -522,7 +521,7 @@ double PairBuckCoulLongKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairBuckCoulLongKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairBuckCoulLongKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_buck_kokkos.cpp b/src/KOKKOS/pair_buck_kokkos.cpp
index 8785700186a94aa2a081873348c69b9712715e6c..02c02c986eeb93f67e27fff80d20d1bf4aa4acaa 100644
--- a/src/KOKKOS/pair_buck_kokkos.cpp
+++ b/src/KOKKOS/pair_buck_kokkos.cpp
@@ -81,8 +81,7 @@ void PairBuckKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -274,7 +273,7 @@ double PairBuckKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairBuckKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairBuckKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_coul_cut_kokkos.cpp b/src/KOKKOS/pair_coul_cut_kokkos.cpp
index b6e36d4f0ddaae5d9db211607c0493623d0b76b7..54ba0b63ce3de907fa71b54399b623fad296ef48 100644
--- a/src/KOKKOS/pair_coul_cut_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_cut_kokkos.cpp
@@ -80,8 +80,7 @@ void PairCoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -280,7 +279,7 @@ double PairCoulCutKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairCoulCutKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairCoulCutKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_coul_debye_kokkos.cpp b/src/KOKKOS/pair_coul_debye_kokkos.cpp
index 5d15be7d769a16ff4185a8db0acb7c76d562538f..8966e30394c94506d5237f69e37b55d81348bb23 100644
--- a/src/KOKKOS/pair_coul_debye_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_debye_kokkos.cpp
@@ -87,8 +87,7 @@ void PairCoulDebyeKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -323,7 +322,7 @@ double PairCoulDebyeKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairCoulDebyeKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairCoulDebyeKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.cpp b/src/KOKKOS/pair_coul_dsf_kokkos.cpp
index a714f665f7f14e3424c66f5aadaf5b6c355a4c54..748fed71a7079aba25eff145c293127db85b7452 100644
--- a/src/KOKKOS/pair_coul_dsf_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_dsf_kokkos.cpp
@@ -80,8 +80,7 @@ void PairCoulDSFKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -422,7 +421,7 @@ int PairCoulDSFKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairCoulDSFKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairCoulDSFKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_coul_long_kokkos.cpp b/src/KOKKOS/pair_coul_long_kokkos.cpp
index 1e8c6c5f4e69f7f0f78ff927f9757c35b2046195..a21cb050ffe90fad62216989f25e0b950b614832 100644
--- a/src/KOKKOS/pair_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_long_kokkos.cpp
@@ -104,8 +104,7 @@ void PairCoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -471,7 +470,7 @@ double PairCoulLongKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairCoulLongKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairCoulLongKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.cpp b/src/KOKKOS/pair_coul_wolf_kokkos.cpp
index 2bff824c3dd395e602d08243da7a5426805e9303..20391d95303602974fc58d3a3c403622736ef7b1 100644
--- a/src/KOKKOS/pair_coul_wolf_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_wolf_kokkos.cpp
@@ -75,8 +75,7 @@ void PairCoulWolfKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -424,7 +423,7 @@ int PairCoulWolfKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairCoulWolfKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairCoulWolfKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp
index 3282c9da1e24057e8b8169faf8e525a035cf25f5..a44ef1790e938c60e4c7717783a3d189114647d3 100644
--- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp
+++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp
@@ -165,8 +165,7 @@ void PairDPDfdtEnergyKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   vflag = vflag_in;
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -795,7 +794,7 @@ int PairDPDfdtEnergyKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairDPDfdtEnergyKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairDPDfdtEnergyKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp
index e198ddb85a9fa0072e0f0bc1aea58a7cf93a9e21..b5442c0d29ae604bae9f696d3daa962d426bb6fe 100644
--- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp
@@ -74,8 +74,7 @@ void PairEAMAlloyKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -570,13 +569,13 @@ void PairEAMAlloyKokkos<DeviceType>::operator()(TagPairEAMAlloyKernelA<NEIGHFLAG
                   d_rhor_spline(d_type2rhor_ji,m,5))*p + d_rhor_spline(d_type2rhor_ji,m,6);
       if (NEWTON_PAIR || j < nlocal) {
         const int d_type2rhor_ij = d_type2rhor(itype,jtype);
-        rho[j] += ((d_rhor_spline(d_type2rhor_ij,m,3)*p + d_rhor_spline(d_type2rhor_ij,m,4))*p +
+       a_rho[j] += ((d_rhor_spline(d_type2rhor_ij,m,3)*p + d_rhor_spline(d_type2rhor_ij,m,4))*p +
                     d_rhor_spline(d_type2rhor_ij,m,5))*p + d_rhor_spline(d_type2rhor_ij,m,6);
       }
     }
 
   }
-  rho[i] += rhotmp;
+  a_rho[i] += rhotmp;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1199,7 +1198,7 @@ void PairEAMAlloyKokkos<DeviceType>::file2array_alloy()
 
 namespace LAMMPS_NS {
 template class PairEAMAlloyKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairEAMAlloyKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp
index f5e4445db3a2f7854ae2609e7dce414d9f586fcd..16701febd6d195eb7daa1d4de82a109f8d52fd2c 100644
--- a/src/KOKKOS/pair_eam_fs_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp
@@ -74,8 +74,7 @@ void PairEAMFSKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -570,13 +569,13 @@ void PairEAMFSKokkos<DeviceType>::operator()(TagPairEAMFSKernelA<NEIGHFLAG,NEWTO
                   d_rhor_spline(d_type2rhor_ji,m,5))*p + d_rhor_spline(d_type2rhor_ji,m,6);
       if (NEWTON_PAIR || j < nlocal) {
         const int d_type2rhor_ij = d_type2rhor(itype,jtype);
-        rho[j] += ((d_rhor_spline(d_type2rhor_ij,m,3)*p + d_rhor_spline(d_type2rhor_ij,m,4))*p +
+       a_rho[j] += ((d_rhor_spline(d_type2rhor_ij,m,3)*p + d_rhor_spline(d_type2rhor_ij,m,4))*p +
                     d_rhor_spline(d_type2rhor_ij,m,5))*p + d_rhor_spline(d_type2rhor_ij,m,6);
       }
     }
 
   }
-  rho[i] += rhotmp;
+  a_rho[i] += rhotmp;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1208,7 +1207,7 @@ void PairEAMFSKokkos<DeviceType>::file2array_fs()
 
 namespace LAMMPS_NS {
 template class PairEAMFSKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairEAMFSKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp
index 6ef3d99ac3934783c9ed4887db6c81bd37aba9d0..d423f2c9276cb83ef38b583cec88246660020aca 100644
--- a/src/KOKKOS/pair_eam_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_kokkos.cpp
@@ -68,8 +68,7 @@ void PairEAMKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -899,7 +898,7 @@ void PairEAMKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const int &
 
 namespace LAMMPS_NS {
 template class PairEAMKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairEAMKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp
index f38feea5f4ec027f0d07d74d32eba56118360ec1..3a857a6485ceb75a64267655b3da23bda799ae5a 100644
--- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp
@@ -36,6 +36,10 @@
 #include "atom_kokkos.h"
 #include "kokkos.h"
 
+#ifdef _OPENMP
+#include <omp.h>
+#endif
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecialKokkos;
@@ -147,8 +151,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   vflag = vflag_in;
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -232,7 +235,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
      } else
        Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxZeroMixingWeights>(0,np_total),*this);
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
      Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxgetMixingWeights>(0,np_total),*this);
 #else
      int errorFlag = 0;
@@ -277,7 +280,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   EV_FLOAT ev;
 
-#ifdef KOKKOS_HAVE_CUDA  // Use atomics
+#ifdef KOKKOS_ENABLE_CUDA  // Use atomics
 
   if (neighflag == HALF) {
     if (newton_pair) {
@@ -307,12 +310,12 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
 #else // No atomics
 
-  num_threads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
   int nmax = f.extent(0);
   if (nmax > t_f.extent(1)) {
-    t_f = t_f_array_thread("pair_exp6_rx:t_f",num_threads,nmax);
-    t_uCG = t_efloat_1d_thread("pair_exp6_rx:t_uCG",num_threads,nmax);
-    t_uCGnew = t_efloat_1d_thread("pair_exp6_rx:t_UCGnew",num_threads,nmax);
+    t_f = t_f_array_thread("pair_exp6_rx:t_f",nthreads,nmax);
+    t_uCG = t_efloat_1d_thread("pair_exp6_rx:t_uCG",nthreads,nmax);
+    t_uCGnew = t_efloat_1d_thread("pair_exp6_rx:t_UCGnew",nthreads,nmax);
   }
 
   Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxZeroDupViews>(0,nmax),*this);
@@ -814,7 +817,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
   }
 
   int tid = 0;
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
   typedef Kokkos::Experimental::UniqueToken<
     DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type;
   unique_token_type unique_token;
@@ -1156,7 +1159,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
   t_uCG(tid,i) += uCG_i;
   t_uCGnew(tid,i) += uCGnew_i;
 
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
   unique_token.release(tid);
 #endif
 }
@@ -1189,7 +1192,7 @@ void PairExp6rxKokkos<DeviceType>::vectorized_operator(const int &ii, EV_FLOAT&
   Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > a_uCGnew = uCGnew;
 
   int tid = 0;
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
   typedef Kokkos::Experimental::UniqueToken<
     DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type;
   unique_token_type unique_token;
@@ -1623,7 +1626,7 @@ void PairExp6rxKokkos<DeviceType>::vectorized_operator(const int &ii, EV_FLOAT&
     t_uCGnew(tid,i) += uCGnew_i;
   }
 
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
   unique_token.release(tid);
 #endif
 }
@@ -1639,7 +1642,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxCollapseDupViews, const int &i) const {
-  for (int n = 0; n < num_threads; n++) {
+  for (int n = 0; n < nthreads; n++) {
     f(i,0) += t_f(n,i,0);
     f(i,1) += t_f(n,i,1);
     f(i,2) += t_f(n,i,2);
@@ -1651,7 +1654,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxCollapseDupViews, con
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxZeroDupViews, const int &i) const {
-  for (int n = 0; n < num_threads; n++) {
+  for (int n = 0; n < nthreads; n++) {
     t_f(n,i,0) = 0.0;
     t_f(n,i,1) = 0.0;
     t_f(n,i,2) = 0.0;
@@ -2128,7 +2131,7 @@ void partition_range( const int begin, const int end, int &thread_begin, int &th
 
 /* ---------------------------------------------------------------------- */
 
-#ifndef KOKKOS_HAVE_CUDA
+#ifndef KOKKOS_ENABLE_CUDA
 template<class DeviceType>
   template<class ArrayT>
 void PairExp6rxKokkos<DeviceType>::getMixingWeightsVect(const int np_total, int errorFlag,
@@ -2654,7 +2657,7 @@ int PairExp6rxKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairExp6rxKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairExp6rxKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.h b/src/KOKKOS/pair_exp6_rx_kokkos.h
index 5e44048ae2cd461e8e5f6ad8e28d887ed8085c75..f3801db631a7edc35625340b4203bc1b8babee4f 100644
--- a/src/KOKKOS/pair_exp6_rx_kokkos.h
+++ b/src/KOKKOS/pair_exp6_rx_kokkos.h
@@ -145,7 +145,7 @@ class PairExp6rxKokkos : public PairExp6rx {
   int eflag,vflag;
   int nlocal,newton_pair,neighflag;
   double special_lj[4];
-  int num_threads,ntypes;
+  int nthreads,ntypes;
 
   typename AT::t_x_array_randomread x;
   typename AT::t_f_array f;
diff --git a/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp b/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
index 09e6c709a464d29ff2da4d123bf1f1424b2cbf54..068580b52556a607c2f89f55e5901b2528decbc4 100644
--- a/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
+++ b/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
@@ -111,8 +111,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   int shearupdate = 1;
   if (update->setupflag) shearupdate = 0;
@@ -581,7 +580,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::ev_tally_xyz_atom(EV_FLOAT &ev, int
 
 namespace LAMMPS_NS {
 template class PairGranHookeHistoryKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairGranHookeHistoryKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_hybrid_kokkos.cpp b/src/KOKKOS/pair_hybrid_kokkos.cpp
index 03ad77c34af8d0cc2b7760224ba7eac6814a9043..00df4a8f3cf21acd3770d48e7c21847077ecc8b6 100644
--- a/src/KOKKOS/pair_hybrid_kokkos.cpp
+++ b/src/KOKKOS/pair_hybrid_kokkos.cpp
@@ -78,9 +78,7 @@ void PairHybridKokkos::compute(int eflag, int vflag)
 
   if (no_virial_fdotr_compute && vflag % 4 == 2) vflag = 1 + vflag/4 * 4;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // check if global component of incoming vflag = 2
   // if so, reset vflag passed to substyle as if it were 0
diff --git a/src/KOKKOS/pair_kokkos.h b/src/KOKKOS/pair_kokkos.h
index ab616d2c07ab5cca684821483ab81766ae83fca4..9ca5d9578d41983d614dc641a02582af06e2b745 100644
--- a/src/KOKKOS/pair_kokkos.h
+++ b/src/KOKKOS/pair_kokkos.h
@@ -86,6 +86,7 @@ struct PairComputeFunctor  {
                           NeighListKokkos<device_type>* list_ptr):
   c(*c_ptr),list(*list_ptr) {
     // allocate duplicated memory
+    f = c.f;
     dup_f     = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, NeedDup<NEIGHFLAG,device_type>::value >(c.f);
     dup_eatom = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, NeedDup<NEIGHFLAG,device_type>::value >(c.d_eatom);
     dup_vatom = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, NeedDup<NEIGHFLAG,device_type>::value >(c.d_vatom);
@@ -255,6 +256,328 @@ struct PairComputeFunctor  {
     return ev;
   }
 
+  // Use TeamPolicy, assume Newton off, Full Neighborlist, and no energy/virial
+  // Loop over neighbors of one atom without coulomb interaction
+  // This function is called in parallel
+  KOKKOS_FUNCTION
+  void compute_item_team(Kokkos::TeamPolicy<>::member_type team,
+                         const NeighListKokkos<device_type> &list, const NoCoulTag&) const {
+
+    const int inum = team.league_size();
+    const int atoms_per_team = team.team_size();
+    const int firstatom = team.league_rank()*atoms_per_team;
+    const int lastatom = firstatom + atoms_per_team < inum ? firstatom + atoms_per_team : inum;
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, firstatom, lastatom), [&] (const int &ii) {
+
+      const int i = list.d_ilist[ii];
+      const X_FLOAT xtmp = c.x(i,0);
+      const X_FLOAT ytmp = c.x(i,1);
+      const X_FLOAT ztmp = c.x(i,2);
+      const int itype = c.type(i);
+
+      const AtomNeighborsConst neighbors_i = list.get_neighbors_const(i);
+      const int jnum = list.d_numneigh[i];
+
+      t_scalar3<double> fsum;
+
+      Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,jnum),
+        [&] (const int jj, t_scalar3<double>& ftmp) {
+
+        int j = neighbors_i(jj);
+        const F_FLOAT factor_lj = c.special_lj[sbmask(j)];
+        j &= NEIGHMASK;
+        const X_FLOAT delx = xtmp - c.x(j,0);
+        const X_FLOAT dely = ytmp - c.x(j,1);
+        const X_FLOAT delz = ztmp - c.x(j,2);
+        const int jtype = c.type(j);
+        const F_FLOAT rsq = delx*delx + dely*dely + delz*delz;
+
+        if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) {
+    
+          const F_FLOAT fpair = factor_lj*c.template compute_fpair<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+
+          ftmp.x += delx*fpair;
+          ftmp.y += dely*fpair;
+          ftmp.z += delz*fpair;
+        }
+
+      },fsum);
+
+      Kokkos::single(Kokkos::PerThread(team), [&] (){
+        f(i,0) += fsum.x;
+        f(i,1) += fsum.y;
+        f(i,2) += fsum.z;
+      });
+
+    });
+  }
+
+  // Use TeamPolicy, assume Newton off, Full Neighborlist, and no energy/virial
+  // Loop over neighbors of one atom with coulomb interaction
+  // This function is called in parallel
+  KOKKOS_FUNCTION
+  void compute_item_team(Kokkos::TeamPolicy<>::member_type team,
+                         const NeighListKokkos<device_type> &list, const CoulTag& ) const {
+
+    const int inum = team.league_size();
+    const int atoms_per_team = team.team_size();
+    int firstatom = team.league_rank()*atoms_per_team;
+    int lastatom = firstatom + atoms_per_team < inum ? firstatom + atoms_per_team : inum;
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, firstatom, lastatom), [&] (const int &ii) {
+
+      const int i = list.d_ilist[ii];
+      const X_FLOAT xtmp = c.x(i,0);
+      const X_FLOAT ytmp = c.x(i,1);
+      const X_FLOAT ztmp = c.x(i,2);
+      const int itype = c.type(i);
+      const F_FLOAT qtmp = c.q(i);
+
+      const AtomNeighborsConst neighbors_i = list.get_neighbors_const(i);
+      const int jnum = list.d_numneigh[i];
+
+      t_scalar3<double> fsum;
+
+      Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,jnum),
+        [&] (const int jj, t_scalar3<double>& ftmp) {
+        int j = neighbors_i(jj);
+        const F_FLOAT factor_lj = c.special_lj[sbmask(j)];
+        const F_FLOAT factor_coul = c.special_coul[sbmask(j)];
+        j &= NEIGHMASK;
+        const X_FLOAT delx = xtmp - c.x(j,0);
+        const X_FLOAT dely = ytmp - c.x(j,1);
+        const X_FLOAT delz = ztmp - c.x(j,2);
+        const int jtype = c.type(j);
+        const F_FLOAT rsq = delx*delx + dely*dely + delz*delz;
+
+        if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) {
+
+          F_FLOAT fpair = F_FLOAT();
+
+          if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype)))
+            fpair+=factor_lj*c.template compute_fpair<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+          if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype)))
+            fpair+=c.template compute_fcoul<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype,factor_coul,qtmp);
+
+          ftmp.x += delx*fpair;
+          ftmp.y += dely*fpair;
+          ftmp.z += delz*fpair;
+        }
+      },fsum);
+
+      Kokkos::single(Kokkos::PerThread(team), [&] (){
+      f(i,0) += fsum.x;
+      f(i,1) += fsum.y;
+      f(i,2) += fsum.z;
+      });
+    });
+  }
+
+
+  // Use TeamPolicy, assume Newton off, Full Neighborlist, and energy/virial
+  // Loop over neighbors of one atom without coulomb interaction
+  // This function is called in parallel
+  KOKKOS_FUNCTION
+  EV_FLOAT compute_item_team_ev(Kokkos::TeamPolicy<>::member_type team,
+                                const NeighListKokkos<device_type> &list, const NoCoulTag&) const {
+
+    EV_FLOAT ev;
+
+    const int inum = team.league_size();
+    const int atoms_per_team = team.team_size();
+    const int firstatom = team.league_rank()*atoms_per_team;
+    const int lastatom = firstatom + atoms_per_team < inum ? firstatom + atoms_per_team : inum;
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, firstatom, lastatom), [&] (const int &ii) {
+
+      const int i = list.d_ilist[ii];
+      const X_FLOAT xtmp = c.x(i,0);
+      const X_FLOAT ytmp = c.x(i,1);
+      const X_FLOAT ztmp = c.x(i,2);
+      const int itype = c.type(i);
+
+      const AtomNeighborsConst neighbors_i = list.get_neighbors_const(i);
+      const int jnum = list.d_numneigh[i];
+
+      FEV_FLOAT fev;
+
+      Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,jnum),
+        [&] (const int jj, FEV_FLOAT& fev_tmp) {
+
+        int j = neighbors_i(jj);
+        const F_FLOAT factor_lj = c.special_lj[sbmask(j)];
+        j &= NEIGHMASK;
+        const X_FLOAT delx = xtmp - c.x(j,0);
+        const X_FLOAT dely = ytmp - c.x(j,1);
+        const X_FLOAT delz = ztmp - c.x(j,2);
+        const int jtype = c.type(j);
+        const F_FLOAT rsq = delx*delx + dely*dely + delz*delz;
+
+        if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) {
+    
+          const F_FLOAT fpair = factor_lj*c.template compute_fpair<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+
+          fev_tmp.f[0] += delx*fpair;
+          fev_tmp.f[1] += dely*fpair;
+          fev_tmp.f[2] += delz*fpair;
+
+          F_FLOAT evdwl = 0.0;
+          if (c.eflag) {
+            evdwl = factor_lj * c.template compute_evdwl<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+            fev.evdwl += 0.5*evdwl;
+          }
+          if (c.vflag_either) {
+            fev.v[0] += 0.5*delx*delx*fpair;
+            fev.v[1] += 0.5*dely*dely*fpair;
+            fev.v[2] += 0.5*delz*delz*fpair;
+            fev.v[3] += 0.5*delx*dely*fpair;
+            fev.v[4] += 0.5*delx*delz*fpair;
+            fev.v[5] += 0.5*dely*delz*fpair;
+          }
+        }
+      },fev);
+
+      Kokkos::single(Kokkos::PerThread(team), [&] (){
+        f(i,0) += fev.f[0];
+        f(i,1) += fev.f[1];
+        f(i,2) += fev.f[2];
+
+        if (c.eflag_global)
+          ev.evdwl += fev.evdwl;
+
+        if (c.eflag_atom)
+          d_eatom(i,0) += fev.evdwl;
+
+        if (c.vflag_global) {
+          ev.v[0] += fev.v[0];
+          ev.v[1] += fev.v[1];
+          ev.v[2] += fev.v[2];
+          ev.v[3] += fev.v[3];
+          ev.v[4] += fev.v[4];
+          ev.v[5] += fev.v[5];
+        }
+
+        if (c.vflag_atom) {
+          d_vatom(i,0) += fev.v[0];
+          d_vatom(i,1) += fev.v[1];
+          d_vatom(i,2) += fev.v[2];
+          d_vatom(i,3) += fev.v[3];
+          d_vatom(i,4) += fev.v[4];
+          d_vatom(i,5) += fev.v[5];
+        }
+      });
+    });
+    return ev;
+  }
+
+  // Use TeamPolicy, assume Newton off, Full Neighborlist, and energy/virial
+  // Loop over neighbors of one atom with coulomb interaction
+  // This function is called in parallel
+  KOKKOS_FUNCTION
+  EV_FLOAT compute_item_team_ev(Kokkos::TeamPolicy<>::member_type team,
+                                const NeighListKokkos<device_type> &list, const CoulTag& ) const {
+
+    EV_FLOAT ev;
+
+    const int inum = team.league_size();
+    const int atoms_per_team = team.team_size();
+    int firstatom = team.league_rank()*atoms_per_team;
+    int lastatom = firstatom + atoms_per_team < inum ? firstatom + atoms_per_team : inum;
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team, firstatom, lastatom), [&] (const int &ii) {
+
+      const int i = list.d_ilist[ii];
+      const X_FLOAT xtmp = c.x(i,0);
+      const X_FLOAT ytmp = c.x(i,1);
+      const X_FLOAT ztmp = c.x(i,2);
+      const int itype = c.type(i);
+      const F_FLOAT qtmp = c.q(i);
+
+      const AtomNeighborsConst neighbors_i = list.get_neighbors_const(i);
+      const int jnum = list.d_numneigh[i];
+
+      FEV_FLOAT fev;
+
+      Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,jnum),
+        [&] (const int jj, FEV_FLOAT& fev_tmp) {
+        int j = neighbors_i(jj);
+        const F_FLOAT factor_lj = c.special_lj[sbmask(j)];
+        const F_FLOAT factor_coul = c.special_coul[sbmask(j)];
+        j &= NEIGHMASK;
+        const X_FLOAT delx = xtmp - c.x(j,0);
+        const X_FLOAT dely = ytmp - c.x(j,1);
+        const X_FLOAT delz = ztmp - c.x(j,2);
+        const int jtype = c.type(j);
+        const F_FLOAT rsq = delx*delx + dely*dely + delz*delz;
+
+        if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) {
+
+          F_FLOAT fpair = F_FLOAT();
+
+          if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype)))
+            fpair+=factor_lj*c.template compute_fpair<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+          if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype)))
+            fpair+=c.template compute_fcoul<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype,factor_coul,qtmp);
+
+          fev.f[0] += delx*fpair;
+          fev.f[1] += dely*fpair;
+          fev.f[2] += delz*fpair;
+
+          F_FLOAT evdwl = 0.0;
+          F_FLOAT ecoul = 0.0;
+          if (c.eflag) {
+            if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) {
+              evdwl = factor_lj * c.template compute_evdwl<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype);
+              ev.evdwl += 0.5*evdwl;
+            }
+            if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) {
+              ecoul = c.template compute_ecoul<STACKPARAMS,Specialisation>(rsq,i,j,itype,jtype,factor_coul,qtmp);
+              ev.ecoul += 0.5*ecoul;
+            }
+          }
+          if (c.vflag) {
+            fev.v[0] += 0.5*delx*delx*fpair;
+            fev.v[1] += 0.5*dely*dely*fpair;
+            fev.v[2] += 0.5*delz*delz*fpair;
+            fev.v[3] += 0.5*delx*dely*fpair;
+            fev.v[4] += 0.5*delx*delz*fpair;
+            fev.v[5] += 0.5*dely*delz*fpair;
+          }
+        }
+      },fev);
+
+      Kokkos::single(Kokkos::PerThread(team), [&] (){
+        f(i,0) += fev.f[0];
+        f(i,1) += fev.f[1];
+        f(i,2) += fev.f[2];
+
+        if (c.eflag_global) {
+          ev.evdwl += fev.evdwl;
+          ev.ecoul += fev.ecoul;
+        }
+
+        if (c.eflag_atom)
+          d_eatom(i,0) += fev.evdwl + fev.ecoul;
+
+        if (c.vflag_global) {
+          ev.v[0] += fev.v[0];
+          ev.v[1] += fev.v[1];
+          ev.v[2] += fev.v[2];
+          ev.v[3] += fev.v[3];
+          ev.v[4] += fev.v[4];
+          ev.v[5] += fev.v[5];
+        }
+
+        if (c.vflag_atom) {
+          d_vatom(i,0) += fev.v[0];
+          d_vatom(i,1) += fev.v[1];
+          d_vatom(i,2) += fev.v[2];
+          d_vatom(i,3) += fev.v[3];
+          d_vatom(i,4) += fev.v[4];
+          d_vatom(i,5) += fev.v[5];
+        }
+      });
+    });
+    return ev;
+  }
+
   KOKKOS_INLINE_FUNCTION
     void ev_tally(EV_FLOAT &ev, const int &i, const int &j,
       const F_FLOAT &epair, const F_FLOAT &fpair, const F_FLOAT &delx,
@@ -355,6 +678,16 @@ struct PairComputeFunctor  {
     else
       energy_virial += compute_item<1,0>(i,list,typename DoCoul<PairStyle::COUL_FLAG>::type());
   }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(const typename Kokkos::TeamPolicy<>::member_type& team) const {
+    compute_item_team(team,list,typename DoCoul<PairStyle::COUL_FLAG>::type());
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(const typename Kokkos::TeamPolicy<>::member_type& team, value_type &energy_virial) const {
+    energy_virial += compute_item_team_ev(team,list,typename DoCoul<PairStyle::COUL_FLAG>::type());
+  }
 };
 
 template <class PairStyle, bool STACKPARAMS, class Specialisation>
@@ -489,6 +822,15 @@ struct PairComputeFunctor<PairStyle,N2,STACKPARAMS,Specialisation>  {
   void operator()(const int i, value_type &energy_virial) const {
     energy_virial += compute_item<1,0>(i,list,typename DoCoul<PairStyle::COUL_FLAG>::type());
   }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(const typename Kokkos::TeamPolicy<>::member_type& team) const
+  {}
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(const typename Kokkos::TeamPolicy<>::member_type& team, value_type &energy_virial) const
+  {}
+
 };
 
 // Filter out Neighflags which are not supported for PairStyle
@@ -507,20 +849,57 @@ EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename Kokkos::Impl::enable
   return ev;
 }
 
+template<class FunctorStyle>
+int GetTeamSize(FunctorStyle& functor, int team_size, int vector_length) {
+    int team_size_max = Kokkos::TeamPolicy<>::team_size_max(functor);
+
+#ifdef KOKKOS_ENABLE_CUDA
+    if(team_size*vector_length > team_size_max)
+      team_size = team_size_max/vector_length;
+#else
+    team_size = 1;
+#endif
+    return team_size;
+}
+
 // Submit ParallelFor for NEIGHFLAG=HALF,HALFTHREAD,FULL,N2
 template<class PairStyle, unsigned NEIGHFLAG, class Specialisation>
 EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename Kokkos::Impl::enable_if<(NEIGHFLAG&PairStyle::EnabledNeighFlags) != 0, NeighListKokkos<typename PairStyle::device_type>*>::type list) {
   EV_FLOAT ev;
-  if(fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) {
-    PairComputeFunctor<PairStyle,NEIGHFLAG,false,Specialisation > ff(fpair,list);
-    if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev);
-    else                              Kokkos::parallel_for(list->inum,ff);
-    ff.contribute();
+
+  if (!fpair->lmp->kokkos->neigh_thread_set)
+    if (list->inum <= 16384 && NEIGHFLAG == FULL)
+      fpair->lmp->kokkos->neigh_thread = 1;
+
+  if (fpair->lmp->kokkos->neigh_thread) {
+    int vector_length = 8;
+    int atoms_per_team = 32;
+
+    if(fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) {
+      PairComputeFunctor<PairStyle,NEIGHFLAG,false,Specialisation > ff(fpair,list);
+      atoms_per_team = GetTeamSize(ff, atoms_per_team, vector_length);
+      Kokkos::TeamPolicy<Kokkos::IndexType<int> > policy(list->inum,atoms_per_team,vector_length);
+      if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(policy,ff,ev);
+      else                              Kokkos::parallel_for(policy,ff);
+    } else {
+      PairComputeFunctor<PairStyle,NEIGHFLAG,true,Specialisation > ff(fpair,list);
+      atoms_per_team = GetTeamSize(ff, atoms_per_team, vector_length);
+      Kokkos::TeamPolicy<Kokkos::IndexType<int> > policy(list->inum,atoms_per_team,vector_length);
+      if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(policy,ff,ev);
+      else                              Kokkos::parallel_for(policy,ff);
+    }
   } else {
-    PairComputeFunctor<PairStyle,NEIGHFLAG,true,Specialisation > ff(fpair,list);
-    if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev);
-    else                              Kokkos::parallel_for(list->inum,ff);
-    ff.contribute();
+    if(fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) {
+      PairComputeFunctor<PairStyle,NEIGHFLAG,false,Specialisation > ff(fpair,list);
+      if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev);
+      else                              Kokkos::parallel_for(list->inum,ff);
+      ff.contribute();
+    } else {
+      PairComputeFunctor<PairStyle,NEIGHFLAG,true,Specialisation > ff(fpair,list);
+      if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev);
+      else                              Kokkos::parallel_for(list->inum,ff);
+      ff.contribute();
+    }
   }
   return ev;
 }
diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
index d0d290d1f1c437df18718504e150b6a39f8fdf4c..510740112a218117f2a4fac0bdf88005b1449c7e 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
@@ -112,8 +112,7 @@ void PairLJCharmmCoulCharmmImplicitKokkos<DeviceType>::compute(int eflag_in, int
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -528,7 +527,7 @@ double PairLJCharmmCoulCharmmImplicitKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCharmmCoulCharmmImplicitKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCharmmCoulCharmmImplicitKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
index 2203dfa2a01821771943a3afa7c19ff32cb2ece2..51c96354f94c8e029eab2729d92f9b9cd98f4d3f 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
@@ -112,8 +112,7 @@ void PairLJCharmmCoulCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_i
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -529,7 +528,7 @@ double PairLJCharmmCoulCharmmKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCharmmCoulCharmmKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCharmmCoulCharmmKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
index e1ecfbac3c14ce9fe31151077a0ff99a58d8195b..22faa9893519451b4ee7792eb77d6b98e8965326 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
@@ -112,8 +112,7 @@ void PairLJCharmmCoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -536,7 +535,7 @@ double PairLJCharmmCoulLongKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCharmmCoulLongKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCharmmCoulLongKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp
index abd0183e213b679560f8ea685b5da048d9c5580f..60d480188b20b2f91e654ac1b8ab7a754f484278 100644
--- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp
@@ -89,8 +89,7 @@ void PairLJClass2CoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -364,7 +363,7 @@ double PairLJClass2CoulCutKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJClass2CoulCutKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJClass2CoulCutKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
index 5f850689d427154ddaeed02d0f23ae6650ca2cdb..4c8aea8e929bd240bd6c912a0e16b952931ef644 100644
--- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
@@ -97,8 +97,7 @@ void PairLJClass2CoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -517,7 +516,7 @@ double PairLJClass2CoulLongKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJClass2CoulLongKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJClass2CoulLongKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_class2_kokkos.cpp b/src/KOKKOS/pair_lj_class2_kokkos.cpp
index 063753f1f8ccba97326bb580cdd74dd83aab66df..dd42baa4e0a4503cacb88faf5dc143aa6c86412c 100644
--- a/src/KOKKOS/pair_lj_class2_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_class2_kokkos.cpp
@@ -89,8 +89,7 @@ void PairLJClass2Kokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -292,7 +291,7 @@ double PairLJClass2Kokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJClass2Kokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJClass2Kokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp
index a2067f8cf90f4dac64a3d3dadd4be69ff8e51323..cb5ab9687138887534c6bcb63beab7344286b720 100644
--- a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp
@@ -89,8 +89,7 @@ void PairLJCutCoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -357,7 +356,7 @@ double PairLJCutCoulCutKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCutCoulCutKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCutCoulCutKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp
index 277f1f658c2feabbdcff1ab678f4c8e08dc19d20..800092a09b5f9fb538238ac8005d10dc08bbdd33 100644
--- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp
@@ -93,8 +93,7 @@ void PairLJCutCoulDebyeKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -386,7 +385,7 @@ double PairLJCutCoulDebyeKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCutCoulDebyeKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCutCoulDebyeKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp
index 165bd972763ef52019096ed66566af34ebb552fd..f793485b47b83f3bc40a50581d48949bf9e8908c 100644
--- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp
@@ -101,8 +101,7 @@ void PairLJCutCoulDSFKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -377,7 +376,7 @@ double PairLJCutCoulDSFKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCutCoulDSFKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCutCoulDSFKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
index d02e83eb116060f95ed7177a29e9424e8865d3e1..02150586f43b24025f94c449044076ceba7a5d24 100644
--- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
@@ -101,8 +101,7 @@ void PairLJCutCoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
 
   // reallocate per-atom arrays if necessary
@@ -515,7 +514,7 @@ double PairLJCutCoulLongKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCutCoulLongKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCutCoulLongKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_cut_kokkos.cpp b/src/KOKKOS/pair_lj_cut_kokkos.cpp
index daaab8d29ea45cc19c73f8c8b26a5ed8826684f6..4ba8c00f88517dc3bafc183411ceeb7385dfa852 100644
--- a/src/KOKKOS/pair_lj_cut_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_kokkos.cpp
@@ -89,8 +89,7 @@ void PairLJCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -289,7 +288,7 @@ double PairLJCutKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJCutKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJCutKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_expand_kokkos.cpp b/src/KOKKOS/pair_lj_expand_kokkos.cpp
index 55c8b200efc4c411b629503b47836b227ce9860e..5ea6c9e438b1ee071febcd8527ce4a9e24e0ebee 100644
--- a/src/KOKKOS/pair_lj_expand_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_expand_kokkos.cpp
@@ -88,8 +88,7 @@ void PairLJExpandKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -297,7 +296,7 @@ double PairLJExpandKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJExpandKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJExpandKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp
index b7fb5acccb7d147bc04e8498ae3a1808d9c2a169..2421d059da2c203913f6ac888e4a1db368d274fb 100644
--- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp
@@ -103,8 +103,7 @@ void PairLJGromacsCoulGromacsKokkos<DeviceType>::compute(int eflag_in, int vflag
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -516,7 +515,7 @@ double PairLJGromacsCoulGromacsKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJGromacsCoulGromacsKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJGromacsCoulGromacsKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.cpp b/src/KOKKOS/pair_lj_gromacs_kokkos.cpp
index 5d2725ccddf7dd778271d7155b08b50a88af8754..09a0261ae12e209cfb6bb4f8a3c5438cd5e6ba79 100644
--- a/src/KOKKOS/pair_lj_gromacs_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_gromacs_kokkos.cpp
@@ -100,8 +100,7 @@ void PairLJGromacsKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -348,7 +347,7 @@ double PairLJGromacsKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJGromacsKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJGromacsKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_lj_sdk_kokkos.cpp b/src/KOKKOS/pair_lj_sdk_kokkos.cpp
index 8f719582fa981d4d856cabc4cc8b19740531a22f..c2375fa7a83720c931b41ef44442c7f14178e6b7 100644
--- a/src/KOKKOS/pair_lj_sdk_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_sdk_kokkos.cpp
@@ -88,8 +88,7 @@ void PairLJSDKKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -326,7 +325,7 @@ double PairLJSDKKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairLJSDKKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairLJSDKKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_morse_kokkos.cpp b/src/KOKKOS/pair_morse_kokkos.cpp
index 97c5f9be84ae10ecf3a1c98a8880701da08556d9..b308330eadc6785ba2d6de535c8eb669b64c841b 100644
--- a/src/KOKKOS/pair_morse_kokkos.cpp
+++ b/src/KOKKOS/pair_morse_kokkos.cpp
@@ -93,8 +93,7 @@ void PairMorseKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -303,7 +302,7 @@ double PairMorseKokkos<DeviceType>::init_one(int i, int j)
 
 namespace LAMMPS_NS {
 template class PairMorseKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairMorseKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
index a6af26cb0ffa891584ad622d2c6510e190f03b09..7d17ac3f4316ea95c4efbd9c208fdef12adacd6f 100644
--- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
@@ -148,8 +148,7 @@ void PairMultiLucyRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in
   vflag = vflag_in;
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -993,7 +992,7 @@ void PairMultiLucyRXKokkos<DeviceType>::settings(int narg, char **arg)
 
 namespace LAMMPS_NS {
 template class PairMultiLucyRXKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairMultiLucyRXKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp
index 9930894f452105913e4c2dc1cd52b05a2c68b0f8..64651be270b1d1441e818aa8ee82e96643ef3b39 100644
--- a/src/KOKKOS/pair_reaxc_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxc_kokkos.cpp
@@ -143,7 +143,7 @@ template<class DeviceType>
 void PairReaxCKokkos<DeviceType>::init_style()
 {
   PairReaxC::init_style();
-  if (fix_reax) modify->delete_fix("REAXC"); // not needed in the Kokkos version
+  if (fix_reax) modify->delete_fix(fix_id); // not needed in the Kokkos version
   fix_reax = NULL;
 
   // irequest = neigh request made by parent class
@@ -340,6 +340,7 @@ void PairReaxCKokkos<DeviceType>::init_md()
 {
   // init_taper()
   F_FLOAT d1, d7, swa, swa2, swa3, swb, swb2, swb3;
+  LR_lookup_table ** & LR = system->LR;
 
   swa = control->nonb_low;
   swb = control->nonb_cut;
@@ -437,6 +438,7 @@ int PairReaxCKokkos<DeviceType>::Init_Lookup_Tables()
   double dr;
   double *h, *fh, *fvdw, *fele, *fCEvd, *fCEclmb;
   double v0_vdw, v0_ele, vlast_vdw, vlast_ele;
+  LR_lookup_table ** & LR = system->LR;
 
   /* initializations */
   v0_vdw = 0;
@@ -447,23 +449,23 @@ int PairReaxCKokkos<DeviceType>::Init_Lookup_Tables()
   num_atom_types = atom->ntypes;
   dr = control->nonb_cut / control->tabulate;
   h = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:h", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:h");
   fh = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fh", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:fh");
   fvdw = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fvdw", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:fvdw");
   fCEvd = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fCEvd", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:fCEvd");
   fele = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fele", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:fele");
   fCEclmb = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fCEclmb", world );
+    smalloc( control->error_ptr, (control->tabulate+2) * sizeof(double), "lookup:fCEclmb");
 
   LR = (LR_lookup_table**)
-    scalloc( num_atom_types+1, sizeof(LR_lookup_table*), "lookup:LR", world );
+    scalloc( control->error_ptr, num_atom_types+1, sizeof(LR_lookup_table*), "lookup:LR");
   for( i = 0; i < num_atom_types+1; ++i )
     LR[i] = (LR_lookup_table*)
-      scalloc( num_atom_types+1, sizeof(LR_lookup_table), "lookup:LR[i]", world );
+      scalloc( control->error_ptr, num_atom_types+1, sizeof(LR_lookup_table), "lookup:LR[i]");
 
   for( i = 1; i <= num_atom_types; ++i ) {
     for( j = i; j <= num_atom_types; ++j ) {
@@ -473,22 +475,18 @@ int PairReaxCKokkos<DeviceType>::Init_Lookup_Tables()
       LR[i][j].dx = dr;
       LR[i][j].inv_dx = control->tabulate / control->nonb_cut;
       LR[i][j].y = (LR_data*)
-        smalloc( LR[i][j].n * sizeof(LR_data), "lookup:LR[i,j].y", world );
+        smalloc( control->error_ptr, LR[i][j].n * sizeof(LR_data), "lookup:LR[i,j].y");
       LR[i][j].H = (cubic_spline_coef*)
-        smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].H" ,
-                 world );
+        smalloc( control->error_ptr, LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].H");
       LR[i][j].vdW = (cubic_spline_coef*)
-        smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].vdW",
-                 world);
+        smalloc( control->error_ptr, LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].vdW");
       LR[i][j].CEvd = (cubic_spline_coef*)
-        smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].CEvd",
-                 world);
+        smalloc( control->error_ptr, LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].CEvd");
       LR[i][j].ele = (cubic_spline_coef*)
-        smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].ele",
-                 world );
+        smalloc( control->error_ptr, LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].ele");
       LR[i][j].CEclmb = (cubic_spline_coef*)
-        smalloc( LR[i][j].n*sizeof(cubic_spline_coef),
-                 "lookup:LR[i,j].CEclmb", world );
+        smalloc( control->error_ptr, LR[i][j].n*sizeof(cubic_spline_coef),
+                 "lookup:LR[i,j].CEclmb");
 
       for( r = 1; r <= control->tabulate; ++r ) {
         LR_vdW_Coulomb(i, j, r * dr, &(LR[i][j].y[r]) );
@@ -512,24 +510,20 @@ int PairReaxCKokkos<DeviceType>::Init_Lookup_Tables()
       vlast_vdw = fCEvd[r-1];
       vlast_ele = fele[r-1];
 
-      Natural_Cubic_Spline( &h[1], &fh[1],
-                            &(LR[i][j].H[1]), control->tabulate+1, world );
+      Natural_Cubic_Spline( control->error_ptr, &h[1], &fh[1],
+                            &(LR[i][j].H[1]), control->tabulate+1 );
 
-      Complete_Cubic_Spline( &h[1], &fvdw[1], v0_vdw, vlast_vdw,
-                             &(LR[i][j].vdW[1]), control->tabulate+1,
-                             world );
+      Complete_Cubic_Spline( control->error_ptr, &h[1], &fvdw[1], v0_vdw, vlast_vdw,
+                             &(LR[i][j].vdW[1]), control->tabulate+1 );
 
-      Natural_Cubic_Spline( &h[1], &fCEvd[1],
-                            &(LR[i][j].CEvd[1]), control->tabulate+1,
-                            world );
+      Natural_Cubic_Spline( control->error_ptr, &h[1], &fCEvd[1],
+                            &(LR[i][j].CEvd[1]), control->tabulate+1 );
 
-      Complete_Cubic_Spline( &h[1], &fele[1], v0_ele, vlast_ele,
-                             &(LR[i][j].ele[1]), control->tabulate+1,
-                             world );
+      Complete_Cubic_Spline( control->error_ptr, &h[1], &fele[1], v0_ele, vlast_ele,
+                             &(LR[i][j].ele[1]), control->tabulate+1 );
 
-      Natural_Cubic_Spline( &h[1], &fCEclmb[1],
-                            &(LR[i][j].CEclmb[1]), control->tabulate+1,
-                            world );
+      Natural_Cubic_Spline( control->error_ptr, &h[1], &fCEclmb[1],
+                            &(LR[i][j].CEclmb[1]), control->tabulate+1 );
     }
   }
   free(h);
@@ -549,22 +543,23 @@ void PairReaxCKokkos<DeviceType>::Deallocate_Lookup_Tables()
 {
   int i, j;
   int ntypes;
+  LR_lookup_table ** & LR = system->LR;
 
   ntypes = atom->ntypes;
 
   for( i = 0; i <= ntypes; ++i ) {
     for( j = i; j <= ntypes; ++j )
       if (LR[i][j].n) {
-        sfree( LR[i][j].y, "LR[i,j].y" );
-        sfree( LR[i][j].H, "LR[i,j].H" );
-        sfree( LR[i][j].vdW, "LR[i,j].vdW" );
-        sfree( LR[i][j].CEvd, "LR[i,j].CEvd" );
-        sfree( LR[i][j].ele, "LR[i,j].ele" );
-        sfree( LR[i][j].CEclmb, "LR[i,j].CEclmb" );
+        sfree( control->error_ptr, LR[i][j].y, "LR[i,j].y" );
+        sfree( control->error_ptr, LR[i][j].H, "LR[i,j].H" );
+        sfree( control->error_ptr, LR[i][j].vdW, "LR[i,j].vdW" );
+        sfree( control->error_ptr, LR[i][j].CEvd, "LR[i,j].CEvd" );
+        sfree( control->error_ptr, LR[i][j].ele, "LR[i,j].ele" );
+        sfree( control->error_ptr, LR[i][j].CEclmb, "LR[i,j].CEclmb" );
       }
-    sfree( LR[i], "LR[i]" );
+    sfree( control->error_ptr, LR[i], "LR[i]" );
   }
-  sfree( LR, "LR" );
+  sfree( control->error_ptr, LR, "LR" );
 }
 
 /* ---------------------------------------------------------------------- */
@@ -677,8 +672,7 @@ void PairReaxCKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   atomKK->sync(execution_space,datamask_read);
   k_params_sing.template sync<DeviceType>();
@@ -4292,7 +4286,7 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxFindBondSpecies, const int
 }
 
 template class PairReaxCKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairReaxCKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_snap_kokkos.cpp b/src/KOKKOS/pair_snap_kokkos.cpp
index 32510721d3dbceaff6928d2cbd40899c92a9ca58..76d6aa5462edef387463b5f542977decf669e8d8 100644
--- a/src/KOKKOS/pair_snap_kokkos.cpp
+++ b/src/KOKKOS/pair_snap_kokkos.cpp
@@ -16,7 +16,7 @@
 
 namespace LAMMPS_NS {
 template class PairSNAPKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairSNAPKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_snap_kokkos.h b/src/KOKKOS/pair_snap_kokkos.h
index b2019879edf0449459d734c69e6d204e818282d2..8be0bf9afbf9075296f330c329c5bbf57b782a57 100644
--- a/src/KOKKOS/pair_snap_kokkos.h
+++ b/src/KOKKOS/pair_snap_kokkos.h
@@ -31,7 +31,10 @@ PairStyle(snap/kk/host,PairSNAPKokkos<LMPHostType>)
 namespace LAMMPS_NS {
 
 template<int NEIGHFLAG, int EVFLAG>
-struct TagPairSNAP{};
+struct TagPairSNAPCompute{};
+
+struct TagPairSNAPBeta{};
+struct TagPairSNAPBispectrum{};
 
 template<class DeviceType>
 class PairSNAPKokkos : public PairSNAP {
@@ -53,11 +56,17 @@ public:
 
   template<int NEIGHFLAG, int EVFLAG>
   KOKKOS_INLINE_FUNCTION
-  void operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<NEIGHFLAG,EVFLAG> >::member_type& team) const;
+  void operator() (TagPairSNAPCompute<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<NEIGHFLAG,EVFLAG> >::member_type& team) const;
 
   template<int NEIGHFLAG, int EVFLAG>
   KOKKOS_INLINE_FUNCTION
-  void operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<NEIGHFLAG,EVFLAG> >::member_type& team, EV_FLOAT&) const;
+  void operator() (TagPairSNAPCompute<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<NEIGHFLAG,EVFLAG> >::member_type& team, EV_FLOAT&) const;
+
+  KOKKOS_INLINE_FUNCTION
+  void operator() (TagPairSNAPBeta,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBeta>::member_type& team) const;
+
+  KOKKOS_INLINE_FUNCTION
+  void operator() (TagPairSNAPBispectrum,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBispectrum>::member_type& team) const;
 
   template<int NEIGHFLAG>
   KOKKOS_INLINE_FUNCTION
@@ -82,10 +91,14 @@ protected:
   SNAKokkos<DeviceType> snaKK;
 
   // How much parallelism to use within an interaction
-  int vector_length;
+  int vector_length,team_size;
+  int team_scratch_size;
+  int thread_scratch_size;
 
   int eflag,vflag;
 
+  void compute_beta();
+  void compute_bispectrum();
   void allocate();
   //void read_files(char *, char *);
   /*template<class DeviceType>
@@ -117,7 +130,9 @@ inline double dist2(double* x,double* y);
   Kokkos::View<F_FLOAT*, DeviceType> d_radelem;              // element radii
   Kokkos::View<F_FLOAT*, DeviceType> d_wjelem;               // elements weights
   Kokkos::View<F_FLOAT**, Kokkos::LayoutRight, DeviceType> d_coeffelem;           // element bispectrum coefficients
-  Kokkos::View<T_INT*, DeviceType> d_map;                     // mapping from atom types to elements
+  Kokkos::View<T_INT*, DeviceType> d_map;                    // mapping from atom types to elements
+  Kokkos::View<F_FLOAT**, DeviceType> d_beta;                // betas for all atoms in list
+  Kokkos::View<F_FLOAT**, DeviceType> d_bispectrum;          // bispectrum components for all atoms in list
 
   typedef Kokkos::DualView<F_FLOAT**, DeviceType> tdual_fparams;
   tdual_fparams k_cutsq;
diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h
index 998e75fabe80ffa69b54c655ee42917ff47b0fc4..8d72d1fac4b92af1052c311b2167facb2eb21891 100644
--- a/src/KOKKOS/pair_snap_kokkos_impl.h
+++ b/src/KOKKOS/pair_snap_kokkos_impl.h
@@ -32,7 +32,7 @@
 #define MAXLINE 1024
 #define MAXWORD 3
 
-using namespace LAMMPS_NS;
+namespace LAMMPS_NS {
 
 // Outstanding issues with quadratic term
 // 1. there seems to a problem with compute_optimized energy calc
@@ -85,9 +85,6 @@ void PairSNAPKokkos<DeviceType>::init_style()
   if (force->newton_pair == 0)
     error->all(FLERR,"Pair style SNAP requires newton pair on");
 
-  if (diagonalstyle != 3)
-    error->all(FLERR,"Must use diagonal style = 3 with pair snap/kk");
-
   // irequest = neigh request made by parent class
 
   neighflag = lmp->kokkos->neighflag;
@@ -137,8 +134,7 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -190,31 +186,45 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   snaKK.nmax = max_neighs;
 
-  T_INT team_scratch_size = snaKK.size_team_scratch_arrays();
-  T_INT thread_scratch_size = snaKK.size_thread_scratch_arrays();
+  team_scratch_size = snaKK.size_team_scratch_arrays();
+  thread_scratch_size = snaKK.size_thread_scratch_arrays();
 
   //printf("Sizes: %i %i\n",team_scratch_size/1024,thread_scratch_size/1024);
   int team_size_max = Kokkos::TeamPolicy<DeviceType>::team_size_max(*this);
-  int vector_length = 8;
+  vector_length = 8;
 #ifdef KOKKOS_ENABLE_CUDA
-  int team_size = 32;//max_neighs;
+  team_size = 32;//max_neighs;
   if (team_size*vector_length > team_size_max)
     team_size = team_size_max/vector_length;
 #else
-  int team_size = 1;
+  team_size = 1;
 #endif
 
+  if (beta_max < list->inum) {
+    d_beta = Kokkos::View<F_FLOAT**, DeviceType>("PairSNAPKokkos:beta",
+     list->inum,ncoeff);
+    d_bispectrum = Kokkos::View<F_FLOAT**, DeviceType>("PairSNAPKokkos:bispectrum",
+     list->inum,ncoeff);
+    beta_max = list->inum;
+  }
+
+  // compute dE_i/dB_i = beta_i for all i in list
+
+  if (quadraticflag || eflag) 
+    compute_bispectrum();
+  compute_beta();
+
   EV_FLOAT ev;
 
   if (eflag) {
     if (neighflag == HALF) {
-      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<HALF,1> > policy(inum,team_size,vector_length);
+      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<HALF,1> > policy(inum,team_size,vector_length);
       Kokkos::parallel_reduce(policy
           .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
           .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
         ,*this,ev);
     } else if (neighflag == HALFTHREAD) {
-      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<HALFTHREAD,1> > policy(inum,team_size,vector_length);
+      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<HALFTHREAD,1> > policy(inum,team_size,vector_length);
       Kokkos::parallel_reduce(policy
           .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
           .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
@@ -222,13 +232,13 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
     }
   } else {
     if (neighflag == HALF) {
-      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<HALF,0> > policy(inum,team_size,vector_length);
+      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<HALF,0> > policy(inum,team_size,vector_length);
       Kokkos::parallel_for(policy
           .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
           .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
         ,*this);
     } else if (neighflag == HALFTHREAD) {
-      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<HALFTHREAD,0> > policy(inum,team_size,vector_length);
+      typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<HALFTHREAD,0> > policy(inum,team_size,vector_length);
       Kokkos::parallel_for(policy
           .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
           .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
@@ -236,11 +246,6 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
     }
   }
 
-//static int step =0;
-//step++;
-//if (step%10==0)
-//        printf(" %e %e %e %e %e (%e %e): %e\n",t1,t2,t3,t4,t5,t6,t7,t1+t2+t3+t4+t5);
-
   if (need_dup)
     Kokkos::Experimental::contribute(f, dup_f);
 
@@ -279,6 +284,153 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   }
 }
 
+/* ----------------------------------------------------------------------
+   compute beta
+------------------------------------------------------------------------- */
+
+template<class DeviceType>
+void PairSNAPKokkos<DeviceType>::compute_beta()
+{
+  // TODO: use RangePolicy instead, or thread over ncoeff?
+  int inum = list->inum;
+  typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBeta> policy(inum,team_size,vector_length);
+  Kokkos::parallel_for(policy
+      .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
+      .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
+    ,*this);
+}
+
+/* ---------------------------------------------------------------------- */
+
+template<class DeviceType>
+KOKKOS_INLINE_FUNCTION
+void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPBeta,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBeta>::member_type& team) const {
+
+  const int ii = team.league_rank();
+  const int i = d_ilist[ii];
+  const int itype = type[i];
+  const int ielem = d_map[itype];
+  Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+    d_coeffi(d_coeffelem,ielem,Kokkos::ALL);
+
+  for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+    d_beta(ii,icoeff) = d_coeffi[icoeff+1];
+
+  if (quadraticflag) {
+    int k = ncoeff+1;
+    for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
+      double bveci = d_bispectrum(ii,icoeff);
+      d_beta(ii,icoeff) += d_coeffi[k]*bveci;
+      k++;
+      for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
+        double bvecj = d_bispectrum(ii,jcoeff);
+        d_beta(ii,icoeff) += d_coeffi[k]*bvecj;
+        d_beta(ii,jcoeff) += d_coeffi[k]*bveci;
+        k++;
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute bispectrum
+------------------------------------------------------------------------- */
+
+template<class DeviceType>
+void PairSNAPKokkos<DeviceType>::compute_bispectrum()
+{
+  int inum = list->inum;
+  typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBispectrum> policy(inum,team_size,vector_length);
+  Kokkos::parallel_for(policy
+      .set_scratch_size(1,Kokkos::PerThread(thread_scratch_size))
+      .set_scratch_size(1,Kokkos::PerTeam(team_scratch_size))
+    ,*this);
+}
+
+/* ---------------------------------------------------------------------- */
+
+template<class DeviceType>
+KOKKOS_INLINE_FUNCTION
+void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPBispectrum,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBispectrum>::member_type& team) const {
+
+  const int ii = team.league_rank();
+  const int i = d_ilist[ii];
+  SNAKokkos<DeviceType> my_sna(snaKK,team);
+  const double xtmp = x(i,0);
+  const double ytmp = x(i,1);
+  const double ztmp = x(i,2);
+  const int itype = type[i];
+  const int ielem = d_map[itype];
+  const double radi = d_radelem[ielem];
+
+  const int num_neighs = d_numneigh[i];
+
+  // rij[][3] = displacements between atom I and those neighbors
+  // inside = indices of neighbors of I within cutoff
+  // wj = weights for neighbors of I within cutoff
+  // rcutij = cutoffs for neighbors of I within cutoff
+  // note Rij sign convention => dU/dRij = dU/dRj = -dU/dRi
+
+  int ninside = 0;
+  Kokkos::parallel_reduce(Kokkos::TeamThreadRange(team,num_neighs),
+      [&] (const int jj, int& count) {
+    Kokkos::single(Kokkos::PerThread(team), [&] (){
+      T_INT j = d_neighbors(i,jj);
+      const F_FLOAT dx = x(j,0) - xtmp;
+      const F_FLOAT dy = x(j,1) - ytmp;
+      const F_FLOAT dz = x(j,2) - ztmp;
+
+      const int jtype = type(j);
+      const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
+      const int elem_j = d_map[jtype];
+
+      if ( rsq < rnd_cutsq(itype,jtype) )
+       count++;
+    });
+  },ninside);
+
+  if (team.team_rank() == 0)
+  Kokkos::parallel_scan(Kokkos::ThreadVectorRange(team,num_neighs),
+      [&] (const int jj, int& offset, bool final) {
+  //for (int jj = 0; jj < num_neighs; jj++) {
+    T_INT j = d_neighbors(i,jj);
+    const F_FLOAT dx = x(j,0) - xtmp;
+    const F_FLOAT dy = x(j,1) - ytmp;
+    const F_FLOAT dz = x(j,2) - ztmp;
+
+    const int jtype = type(j);
+    const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
+    const int elem_j = d_map[jtype];
+
+    if ( rsq < rnd_cutsq(itype,jtype) ) {
+      if (final) {
+        my_sna.rij(offset,0) = dx;
+        my_sna.rij(offset,1) = dy;
+        my_sna.rij(offset,2) = dz;
+        my_sna.inside[offset] = j;
+        my_sna.wj[offset] = d_wjelem[elem_j];
+        my_sna.rcutij[offset] = (radi + d_radelem[elem_j])*rcutfac;
+      }
+      offset++;
+    }
+  });
+  team.team_barrier();
+
+  // compute Ui, Zi, and Bi for atom I
+
+  my_sna.compute_ui(team,ninside);
+  team.team_barrier();
+
+  my_sna.compute_zi(team);
+  team.team_barrier();
+
+  my_sna.compute_bi(team);
+  team.team_barrier();
+
+  for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+    d_bispectrum(ii,icoeff) = my_sna.blist[icoeff];
+}
+
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
@@ -344,23 +496,12 @@ void PairSNAPKokkos<DeviceType>::coeff(int narg, char **arg)
   Kokkos::deep_copy(d_coeffelem,h_coeffelem);
   Kokkos::deep_copy(d_map,h_map);
 
-  // deallocate non-kokkos sna
-
-  if (sna) {
-    for (int tid = 0; tid<nthreads; tid++)
-      delete sna[tid];
-    delete [] sna;
-    sna = NULL;
-  }
-
   // allocate memory for per OpenMP thread data which
   // is wrapped into the sna class
 
   snaKK = SNAKokkos<DeviceType>(rfac0,twojmax,
-                  diagonalstyle,use_shared_arrays,
                   rmin0,switchflag,bzeroflag);
-    //if (!use_shared_arrays)
-  snaKK.grow_rij(nmax);
+  snaKK.grow_rij(0);
   snaKK.init();
 }
 
@@ -369,7 +510,7 @@ void PairSNAPKokkos<DeviceType>::coeff(int narg, char **arg)
 template<class DeviceType>
 template<int NEIGHFLAG, int EVFLAG>
 KOKKOS_INLINE_FUNCTION
-void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAP<NEIGHFLAG,EVFLAG> >::member_type& team, EV_FLOAT& ev) const {
+void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPCompute<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPCompute<NEIGHFLAG,EVFLAG> >::member_type& team, EV_FLOAT& ev) const {
 
   // The f array is duplicated for OpenMP, atomic for CUDA, and neither for Serial
 
@@ -379,12 +520,12 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const
   const int ii = team.league_rank();
   const int i = d_ilist[ii];
   SNAKokkos<DeviceType> my_sna(snaKK,team);
-  const double x_i = x(i,0);
-  const double y_i = x(i,1);
-  const double z_i = x(i,2);
-  const int type_i = type[i];
-  const int elem_i = d_map[type_i];
-  const double radi = d_radelem[elem_i];
+  const double xtmp = x(i,0);
+  const double ytmp = x(i,1);
+  const double ztmp = x(i,2);
+  const int itype = type[i];
+  const int ielem = d_map[itype];
+  const double radi = d_radelem[ielem];
 
   const int num_neighs = d_numneigh[i];
 
@@ -394,41 +535,38 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const
   // rcutij = cutoffs for neighbors of I within cutoff
   // note Rij sign convention => dU/dRij = dU/dRj = -dU/dRi
 
-  //Kokkos::Timer timer;
   int ninside = 0;
   Kokkos::parallel_reduce(Kokkos::TeamThreadRange(team,num_neighs),
       [&] (const int jj, int& count) {
     Kokkos::single(Kokkos::PerThread(team), [&] (){
       T_INT j = d_neighbors(i,jj);
-      const F_FLOAT dx = x(j,0) - x_i;
-      const F_FLOAT dy = x(j,1) - y_i;
-      const F_FLOAT dz = x(j,2) - z_i;
+      const F_FLOAT dx = x(j,0) - xtmp;
+      const F_FLOAT dy = x(j,1) - ytmp;
+      const F_FLOAT dz = x(j,2) - ztmp;
 
-      const int type_j = type(j);
+      const int jtype = type(j);
       const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
-      const int elem_j = d_map[type_j];
+      const int elem_j = d_map[jtype];
 
-      if ( rsq < rnd_cutsq(type_i,type_j) )
+      if ( rsq < rnd_cutsq(itype,jtype) )
        count++;
     });
   },ninside);
 
-  //t1 += timer.seconds(); timer.reset();
-
   if (team.team_rank() == 0)
   Kokkos::parallel_scan(Kokkos::ThreadVectorRange(team,num_neighs),
-      [&] (const int jj, int& offset, bool final){
+      [&] (const int jj, int& offset, bool final) {
   //for (int jj = 0; jj < num_neighs; jj++) {
     T_INT j = d_neighbors(i,jj);
-    const F_FLOAT dx = x(j,0) - x_i;
-    const F_FLOAT dy = x(j,1) - y_i;
-    const F_FLOAT dz = x(j,2) - z_i;
+    const F_FLOAT dx = x(j,0) - xtmp;
+    const F_FLOAT dy = x(j,1) - ytmp;
+    const F_FLOAT dz = x(j,2) - ztmp;
 
-    const int type_j = type(j);
+    const int jtype = type(j);
     const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
-    const int elem_j = d_map[type_j];
+    const int elem_j = d_map[jtype];
 
-    if ( rsq < rnd_cutsq(type_i,type_j) ) {
+    if ( rsq < rnd_cutsq(itype,jtype) ) {
       if (final) {
         my_sna.rij(offset,0) = dx;
         my_sna.rij(offset,1) = dy;
@@ -440,157 +578,84 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const
       offset++;
     }
   });
+  team.team_barrier();
 
-  //t2 += timer.seconds(); timer.reset();
+  // compute Ui, Yi for atom I
 
-  team.team_barrier();
-  // compute Ui, Zi, and Bi for atom I
   my_sna.compute_ui(team,ninside);
-  //t3 += timer.seconds(); timer.reset();
-  team.team_barrier();
-  my_sna.compute_zi(team);
-  //t4 += timer.seconds(); timer.reset();
   team.team_barrier();
 
-  if (quadraticflag) {
-    my_sna.compute_bi(team);
-    team.team_barrier();
-    my_sna.copy_bi2bvec(team);
-    team.team_barrier();
-  }
-
   // for neighbors of I within cutoff:
-  // compute dUi/drj and dBi/drj
-  // Fij = dEi/dRj = -dEi/dRi => add to Fi, subtract from Fj
+  // compute Fij = dEi/dRj = -dEi/dRi 
+  // add to Fi, subtract from Fj
+
+  my_sna.compute_yi(team,d_beta,ii);
+  team.team_barrier();
 
   Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
-    d_coeffi(d_coeffelem,elem_i,Kokkos::ALL);
+    d_coeffi(d_coeffelem,ielem,Kokkos::ALL);
 
   Kokkos::parallel_for (Kokkos::TeamThreadRange(team,ninside),
       [&] (const int jj) {
   //for (int jj = 0; jj < ninside; jj++) {
     int j = my_sna.inside[jj];
 
-    //Kokkos::Timer timer2;
     my_sna.compute_duidrj(team,&my_sna.rij(jj,0),
-                           my_sna.wj[jj],my_sna.rcutij[jj]);
-    //t6 += timer2.seconds(); timer2.reset();
-    my_sna.compute_dbidrj(team);
-    //t7 += timer2.seconds(); timer2.reset();
-    my_sna.copy_dbi2dbvec(team);
+                           my_sna.wj[jj],my_sna.rcutij[jj],jj);
 
-    Kokkos::single(Kokkos::PerThread(team), [&] (){
     F_FLOAT fij[3];
+    my_sna.compute_deidrj(team,fij);
 
-    fij[0] = 0.0;
-    fij[1] = 0.0;
-    fij[2] = 0.0;
-
-    // linear contributions
-
-    for (int k = 1; k <= ncoeff; k++) {
-      double bgb = d_coeffi[k];
-      fij[0] += bgb*my_sna.dbvec(k-1,0);
-      fij[1] += bgb*my_sna.dbvec(k-1,1);
-      fij[2] += bgb*my_sna.dbvec(k-1,2);
-    }
-
-    if (quadraticflag) {
-
-      int k = ncoeff+1;
-      for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-        double bveci = my_sna.bvec[icoeff];
-        double fack = d_coeffi[k]*bveci;
-        double dbvecix = my_sna.dbvec(icoeff,0);
-        double dbveciy = my_sna.dbvec(icoeff,1);
-        double dbveciz = my_sna.dbvec(icoeff,2);
-        fij[0] += fack*dbvecix;
-        fij[1] += fack*dbveciy;
-        fij[2] += fack*dbveciz;
-        k++;
-        for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-          double facki = d_coeffi[k]*bveci;
-          double fackj = d_coeffi[k]*my_sna.bvec[jcoeff];
-          fij[0] += facki*my_sna.dbvec(jcoeff,0)+fackj*dbvecix;
-          fij[1] += facki*my_sna.dbvec(jcoeff,1)+fackj*dbveciy;
-          fij[2] += facki*my_sna.dbvec(jcoeff,2)+fackj*dbveciz;
-          k++;
+    Kokkos::single(Kokkos::PerThread(team), [&] (){
+      a_f(i,0) += fij[0];
+      a_f(i,1) += fij[1];
+      a_f(i,2) += fij[2];
+      a_f(j,0) -= fij[0];
+      a_f(j,1) -= fij[1];
+      a_f(j,2) -= fij[2];
+      
+      // tally global and per-atom virial contribution
+      
+      if (EVFLAG) {
+        if (vflag_either) {
+          v_tally_xyz<NEIGHFLAG>(ev,i,j,
+            fij[0],fij[1],fij[2],
+            -my_sna.rij(jj,0),-my_sna.rij(jj,1),
+            -my_sna.rij(jj,2));
         }
       }
-    }
-
-    // Hard-coded ZBL potential
-    //const double dx = my_sna.rij(jj,0);
-    //const double dy = my_sna.rij(jj,1);
-    //const double dz = my_sna.rij(jj,2);
-    //const double fdivr = -1.5e6/pow(dx*dx + dy*dy + dz*dz,7.0);
-    //fij[0] += dx*fdivr;
-    //fij[1] += dy*fdivr;
-    //fij[2] += dz*fdivr;
-
-    //OK
-    //printf("%lf %lf %lf %lf %lf %lf %lf %lf %lf SNAP-COMPARE: FIJ\n"
-    //    ,x(i,0),x(i,1),x(i,2),x(j,0),x(j,1),x(j,2),fij[0],fij[1],fij[2] );
-    a_f(i,0) += fij[0];
-    a_f(i,1) += fij[1];
-    a_f(i,2) += fij[2];
-    a_f(j,0) -= fij[0];
-    a_f(j,1) -= fij[1];
-    a_f(j,2) -= fij[2];
-
-    // tally global and per-atom virial contribution
-
-    if (EVFLAG) {
-      if (vflag_either) {
-        v_tally_xyz<NEIGHFLAG>(ev,i,j,
-          fij[0],fij[1],fij[2],
-          -my_sna.rij(jj,0),-my_sna.rij(jj,1),
-          -my_sna.rij(jj,2));
-      }
-    }
-
+      
     });
   });
-  //t5 += timer.seconds(); timer.reset();
 
   // tally energy contribution
 
   if (EVFLAG) {
     if (eflag_either) {
 
-      if (!quadraticflag) {
-        my_sna.compute_bi(team);
-        team.team_barrier();
-        my_sna.copy_bi2bvec(team);
-        team.team_barrier();
-      }
-
-      // E = beta.B + 0.5*B^t.alpha.B
-      // coeff[k] = beta[k-1] or
-      // coeff[k] = alpha_ii or
-      // coeff[k] = alpha_ij = alpha_ji, j != i
-
       Kokkos::single(Kokkos::PerTeam(team), [&] () {
 
         // evdwl = energy of atom I, sum over coeffs_k * Bi_k
 
         double evdwl = d_coeffi[0];
-
+        
+        // E = beta.B + 0.5*B^t.alpha.B
+        
         // linear contributions
-        // could use thread vector range on this loop
-
-        for (int k = 1; k <= ncoeff; k++)
-          evdwl += d_coeffi[k]*my_sna.bvec[k-1];
-
+        
+        for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+          evdwl += d_coeffi[icoeff+1]*d_bispectrum(ii,icoeff);
+        
         // quadratic contributions
-
+        
         if (quadraticflag) {
           int k = ncoeff+1;
           for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-            double bveci = my_sna.bvec[icoeff];
+            double bveci = d_bispectrum(ii,icoeff);
             evdwl += 0.5*d_coeffi[k++]*bveci*bveci;
             for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-              evdwl += d_coeffi[k++]*bveci*my_sna.bvec[jcoeff];
+              double bvecj = d_bispectrum(ii,jcoeff);
+              evdwl += d_coeffi[k++]*bveci*bvecj;
             }
           }
         }
@@ -606,9 +671,9 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const
 template<class DeviceType>
 template<int NEIGHFLAG, int EVFLAG>
 KOKKOS_INLINE_FUNCTION
-void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAP<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType,TagPairSNAP<NEIGHFLAG,EVFLAG> >::member_type& team) const {
+void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPCompute<NEIGHFLAG,EVFLAG>,const typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPCompute<NEIGHFLAG,EVFLAG> >::member_type& team) const {
   EV_FLOAT ev;
-  this->template operator()<NEIGHFLAG,EVFLAG>(TagPairSNAP<NEIGHFLAG,EVFLAG>(), team, ev);
+  this->template operator()<NEIGHFLAG,EVFLAG>(TagPairSNAPCompute<NEIGHFLAG,EVFLAG>(), team, ev);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -668,10 +733,9 @@ double PairSNAPKokkos<DeviceType>::memory_usage()
   int n = atom->ntypes+1;
   bytes += n*n*sizeof(int);
   bytes += n*n*sizeof(double);
-  bytes += 3*nmax*sizeof(double);
-  bytes += nmax*sizeof(int);
   bytes += (2*ncoeffall)*sizeof(double);
   bytes += (ncoeff*3)*sizeof(double);
   bytes += snaKK.memory_usage();
   return bytes;
 }
+}
diff --git a/src/KOKKOS/pair_sw_kokkos.cpp b/src/KOKKOS/pair_sw_kokkos.cpp
index 5452d2293f269f59abeed800b7bb1ebc6bef4a0d..da4737a2c146d399ae1b3110b4e4c7442284d17e 100644
--- a/src/KOKKOS/pair_sw_kokkos.cpp
+++ b/src/KOKKOS/pair_sw_kokkos.cpp
@@ -80,8 +80,7 @@ void PairSWKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -972,7 +971,7 @@ void PairSWKokkos<DeviceType>::ev_tally3_atom(EV_FLOAT &ev, const int &i,
 
 namespace LAMMPS_NS {
 template class PairSWKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairSWKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_table_kokkos.cpp b/src/KOKKOS/pair_table_kokkos.cpp
index b72df04c5f626479ad0d8304e36a523d26f60e91..737d600d1e969a3e0207e4fb93068e8862c7a2a5 100644
--- a/src/KOKKOS/pair_table_kokkos.cpp
+++ b/src/KOKKOS/pair_table_kokkos.cpp
@@ -86,8 +86,7 @@ void PairTableKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -550,7 +549,7 @@ void PairTableKokkos<DeviceType>::cleanup_copy() {
 
 namespace LAMMPS_NS {
 template class PairTableKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairTableKokkos<LMPHostType>;
 #endif
 
diff --git a/src/KOKKOS/pair_table_rx_kokkos.cpp b/src/KOKKOS/pair_table_rx_kokkos.cpp
index 30ca54986b7d378d1ed88e26cf86597f8a775709..ec7a2ffb943b5be765cae3ab9a41b44fb1f31834 100644
--- a/src/KOKKOS/pair_table_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_table_rx_kokkos.cpp
@@ -619,8 +619,7 @@ void PairTableRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   if (eflag_atom) {
     memoryKK->destroy_kokkos(k_eatom,eatom);
@@ -1301,7 +1300,7 @@ void PairTableRXKokkos<DeviceType>::cleanup_copy() {
 
 namespace LAMMPS_NS {
 template class PairTableRXKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairTableRXKokkos<LMPHostType>;
 #endif
 
diff --git a/src/KOKKOS/pair_tersoff_kokkos.cpp b/src/KOKKOS/pair_tersoff_kokkos.cpp
index c3e1494d0b172676e29266817d9434b6c8d601ff..9252e3de5237a6df7e0f95cf729d12ba233947b1 100644
--- a/src/KOKKOS/pair_tersoff_kokkos.cpp
+++ b/src/KOKKOS/pair_tersoff_kokkos.cpp
@@ -164,8 +164,7 @@ void PairTersoffKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -1289,7 +1288,7 @@ int PairTersoffKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairTersoffKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairTersoffKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp
index 61493794baa68ee5672b48845262f4d718c1cf59..585074b12863af62e7f1aa3fb8769dd4acc53cc3 100644
--- a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp
+++ b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp
@@ -164,8 +164,7 @@ void PairTersoffMODKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -1292,7 +1291,7 @@ int PairTersoffMODKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairTersoffMODKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairTersoffMODKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
index f51da2afde8779e2898ca2cdb1be9a68c94618e3..e1e2211ab5e5b4cf677dab916abc811674db1060 100644
--- a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
+++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
@@ -178,8 +178,7 @@ void PairTersoffZBLKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -1386,7 +1385,7 @@ int PairTersoffZBLKokkos<DeviceType>::sbmask(const int& j) const {
 
 namespace LAMMPS_NS {
 template class PairTersoffZBLKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairTersoffZBLKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_vashishta_kokkos.cpp b/src/KOKKOS/pair_vashishta_kokkos.cpp
index 3d4bd22a3cb33913e7b8e96eb4bff020e7a27627..4a1f291b17443f8a452ae48f8312e2548f2d99af 100644
--- a/src/KOKKOS/pair_vashishta_kokkos.cpp
+++ b/src/KOKKOS/pair_vashishta_kokkos.cpp
@@ -79,8 +79,7 @@ void PairVashishtaKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -947,7 +946,7 @@ void PairVashishtaKokkos<DeviceType>::ev_tally3_atom(EV_FLOAT &ev, const int &i,
 
 namespace LAMMPS_NS {
 template class PairVashishtaKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairVashishtaKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_yukawa_kokkos.cpp b/src/KOKKOS/pair_yukawa_kokkos.cpp
index 8fc2fda1207a74c21ebda02a136348a796142b28..27e18533a289c90b0c4deda7db3a5b123be08857 100644
--- a/src/KOKKOS/pair_yukawa_kokkos.cpp
+++ b/src/KOKKOS/pair_yukawa_kokkos.cpp
@@ -177,8 +177,7 @@ void PairYukawaKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -295,7 +294,7 @@ compute_evdwl(const F_FLOAT& rsq, const int& i, const int&j,
 
 namespace LAMMPS_NS {
 template class PairYukawaKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairYukawaKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pair_zbl_kokkos.cpp b/src/KOKKOS/pair_zbl_kokkos.cpp
index f57d5eaad0cccf6751a839a96e3926270cfcb7a3..06c84e5189fa5fd6e480182f5ed2709e41f90f27 100644
--- a/src/KOKKOS/pair_zbl_kokkos.cpp
+++ b/src/KOKKOS/pair_zbl_kokkos.cpp
@@ -129,8 +129,7 @@ void PairZBLKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
   if (neighflag == FULL) no_virial_fdotr_compute = 1;
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag,0);
 
   // reallocate per-atom arrays if necessary
 
@@ -433,7 +432,7 @@ void PairZBLKokkos<DeviceType>::cleanup_copy() {
 
 namespace LAMMPS_NS {
 template class PairZBLKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PairZBLKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/pppm_kokkos.cpp b/src/KOKKOS/pppm_kokkos.cpp
index 7a02e973b1dac132bbbfeceedfa76e7844cd6e2c..7c01adc510567062fdddd034b8844bc4f422da1b 100644
--- a/src/KOKKOS/pppm_kokkos.cpp
+++ b/src/KOKKOS/pppm_kokkos.cpp
@@ -615,8 +615,7 @@ void PPPMKokkos<DeviceType>::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag,0);
-  else evflag = evflag_atom = eflag_global = vflag_global =
+  ev_init(eflag,vflag,0);
          eflag_atom = vflag_atom = 0;
 
   // reallocate per-atom arrays if necessary
@@ -1648,7 +1647,7 @@ void PPPMKokkos<DeviceType>::make_rho()
 
   nlocal = atomKK->nlocal;
 
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
   copymode = 1;
   Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPPPM_make_rho_atomic>(0,nlocal),*this);
   copymode = 0;
@@ -1657,7 +1656,7 @@ void PPPMKokkos<DeviceType>::make_rho()
   iy = nyhi_out-nylo_out + 1;
 
   copymode = 1;
-  Kokkos::TeamPolicy<DeviceType, TagPPPM_make_rho> config(lmp->kokkos->num_threads,1);
+  Kokkos::TeamPolicy<DeviceType, TagPPPM_make_rho> config(lmp->kokkos->nthreads,1);
   Kokkos::parallel_for(config,*this);
   copymode = 0;
 #endif
@@ -3121,7 +3120,7 @@ double PPPMKokkos<DeviceType>::memory_usage()
 
 namespace LAMMPS_NS {
 template class PPPMKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class PPPMKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/rand_pool_wrap_kokkos.cpp b/src/KOKKOS/rand_pool_wrap_kokkos.cpp
index 39b91f160016fd8f10cdeb9276aacb46a81aa935..51ebcb154e6c4aad1d80647111a14ef1fac0151f 100644
--- a/src/KOKKOS/rand_pool_wrap_kokkos.cpp
+++ b/src/KOKKOS/rand_pool_wrap_kokkos.cpp
@@ -25,7 +25,7 @@ using namespace LAMMPS_NS;
 RandPoolWrap::RandPoolWrap(int, LAMMPS *lmp) : Pointers(lmp)
 {
   random_thr =  NULL;
-  nthreads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -59,7 +59,7 @@ void RandPoolWrap::init(RanMars* random, int seed)
   // allocate pool of RNGs
   // generate a random number generator instance for
   // all threads != 0. make sure we use unique seeds.
-  nthreads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
   random_thr = new RanMars*[nthreads];
   for (int tid = 1; tid < nthreads; ++tid) {
     random_thr[tid] = new RanMars(lmp, seed + comm->me
diff --git a/src/KOKKOS/rand_pool_wrap_kokkos.h b/src/KOKKOS/rand_pool_wrap_kokkos.h
index 12255a8a62fc9f8eaabd520f29c9fe0ce1103b1e..c1461c52162d6f285bfab490a5e6f44405b7297e 100644
--- a/src/KOKKOS/rand_pool_wrap_kokkos.h
+++ b/src/KOKKOS/rand_pool_wrap_kokkos.h
@@ -50,7 +50,7 @@ class RandPoolWrap : protected Pointers {
   KOKKOS_INLINE_FUNCTION
   RandWrap get_state() const
   {
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
     error->all(FLERR,"Cannot use Marsaglia RNG with GPUs");
 #endif
 
diff --git a/src/KOKKOS/region_block_kokkos.cpp b/src/KOKKOS/region_block_kokkos.cpp
index 8ff6e8937d0919f905599c7b95bb6c01a9f7c0d6..730ef81466d698412827962c347265b3a8bdaf21 100644
--- a/src/KOKKOS/region_block_kokkos.cpp
+++ b/src/KOKKOS/region_block_kokkos.cpp
@@ -167,7 +167,7 @@ void RegBlockKokkos<DeviceType>::rotate(double &x, double &y, double &z, double
 
 namespace LAMMPS_NS {
 template class RegBlockKokkos<LMPDeviceType>;
-#ifdef KOKKOS_HAVE_CUDA
+#ifdef KOKKOS_ENABLE_CUDA
 template class RegBlockKokkos<LMPHostType>;
 #endif
 }
diff --git a/src/KOKKOS/sna_kokkos.h b/src/KOKKOS/sna_kokkos.h
index 7a80b262b7ceea7d21c58efd355c5adabea35732..a53a6142290ec6ae7ec576a303347e4b7e6f5d6c 100644
--- a/src/KOKKOS/sna_kokkos.h
+++ b/src/KOKKOS/sna_kokkos.h
@@ -25,7 +25,11 @@
 
 namespace LAMMPS_NS {
 
-struct SNAKK_LOOPINDICES {
+struct SNAKK_ZINDICES {
+  int j1, j2, j, ma1min, ma2max, mb1min, mb2max, na, nb, jju;
+};
+
+struct SNAKK_BINDICES {
   int j1, j2, j;
 };
 
@@ -35,9 +39,9 @@ class SNAKokkos {
 public:
   typedef Kokkos::View<int*, DeviceType> t_sna_1i;
   typedef Kokkos::View<double*, DeviceType> t_sna_1d;
+  typedef Kokkos::View<double*, Kokkos::LayoutRight, DeviceType, Kokkos::MemoryTraits<Kokkos::Atomic> > t_sna_1d_atomic;
   typedef Kokkos::View<double**, Kokkos::LayoutRight, DeviceType> t_sna_2d;
   typedef Kokkos::View<double***, Kokkos::LayoutRight, DeviceType> t_sna_3d;
-  typedef Kokkos::View<double***, Kokkos::LayoutRight, DeviceType, Kokkos::MemoryTraits<Kokkos::Atomic> > t_sna_3d_atomic;
   typedef Kokkos::View<double***[3], Kokkos::LayoutRight, DeviceType> t_sna_4d;
   typedef Kokkos::View<double**[3], Kokkos::LayoutRight, DeviceType> t_sna_3d3;
   typedef Kokkos::View<double*****, Kokkos::LayoutRight, DeviceType> t_sna_5d;
@@ -48,7 +52,7 @@ inline
   SNAKokkos(const SNAKokkos<DeviceType>& sna, const typename Kokkos::TeamPolicy<DeviceType>::member_type& team);
 
 inline
-  SNAKokkos(double, int, int, int, double, int, int);
+  SNAKokkos(double, int, double, int, int);
 
   KOKKOS_INLINE_FUNCTION
   ~SNAKokkos();
@@ -76,18 +80,19 @@ inline
   KOKKOS_INLINE_FUNCTION
   void compute_zi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team);    // ForceSNAP
   KOKKOS_INLINE_FUNCTION
-  void compute_bi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team);    // ForceSNAP
+  void compute_yi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
+   const Kokkos::View<F_FLOAT**, DeviceType> &beta, const int ii); // ForceSNAP
   KOKKOS_INLINE_FUNCTION
-  void copy_bi2bvec(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team); //ForceSNAP
+  void compute_bi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team);    // ForceSNAP
 
   // functions for derivatives
 
   KOKKOS_INLINE_FUNCTION
-  void compute_duidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double*, double, double); //ForceSNAP
+  void compute_duidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double*, double, double, int); //ForceSNAP
   KOKKOS_INLINE_FUNCTION
   void compute_dbidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team); //ForceSNAP
   KOKKOS_INLINE_FUNCTION
-  void copy_dbi2dbvec(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team); //ForceSNAP
+  void compute_deidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double *); // ForceSNAP
   KOKKOS_INLINE_FUNCTION
   double compute_sfac(double, double); // add_uarraytot, compute_duarray
   KOKKOS_INLINE_FUNCTION
@@ -114,37 +119,42 @@ inline
 
   int twojmax, diagonalstyle;
   // Per InFlight Particle
-  t_sna_3d barray;
-  t_sna_3d uarraytot_r, uarraytot_i;
-  t_sna_3d_atomic uarraytot_r_a, uarraytot_i_a;
-  t_sna_5d zarray_r, zarray_i;
+  t_sna_1d blist;
+  t_sna_1d ulisttot_r, ulisttot_i;
+  t_sna_1d_atomic ulisttot_r_a, ulisttot_i_a;
+  t_sna_1d zlist_r, zlist_i;
+  t_sna_2d ulist_r_ij, ulist_i_ij;
 
   // Per InFlight Interaction
-  t_sna_3d uarray_r, uarray_i;
-
-  Kokkos::View<double*, Kokkos::LayoutRight, DeviceType> bvec;
+  t_sna_1d ulist_r, ulist_i;
+  t_sna_1d_atomic ylist_r, ylist_i;
 
   // derivatives of data
-  Kokkos::View<double*[3], Kokkos::LayoutRight, DeviceType> dbvec;
-  t_sna_4d duarray_r, duarray_i;
-  t_sna_4d dbarray;
+  t_sna_2d dulist_r, dulist_i;
+  t_sna_2d dblist;
 
 private:
   double rmin0, rfac0;
 
   //use indexlist instead of loops, constructor generates these
-  // Same accross all SNAKokkos
-  Kokkos::View<SNAKK_LOOPINDICES*, DeviceType> idxj,idxj_full;
-  int idxj_max,idxj_full_max;
+  // Same across all SNAKokkos
+  Kokkos::View<SNAKK_ZINDICES*, DeviceType> idxz;
+  Kokkos::View<SNAKK_BINDICES*, DeviceType> idxb;
+  int idxcg_max, idxu_max, idxz_max, idxb_max;
+  Kokkos::View<int***, DeviceType> idxcg_block;
+  Kokkos::View<int*, DeviceType> idxu_block;
+  Kokkos::View<int***, DeviceType> idxz_block;
+  Kokkos::View<int***, DeviceType> idxb_block;
+
   // data for bispectrum coefficients
 
   // Same accross all SNAKokkos
-  t_sna_5d cgarray;
+  t_sna_1d cglist;
   t_sna_2d rootpqarray;
 
-
   static const int nmaxfactorial = 167;
-  KOKKOS_INLINE_FUNCTION
+  static const double nfac_table[];
+  inline
   double factorial(int);
 
   KOKKOS_INLINE_FUNCTION
@@ -162,13 +172,13 @@ inline
   KOKKOS_INLINE_FUNCTION
   void addself_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double); // compute_ui
   KOKKOS_INLINE_FUNCTION
-  void add_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double, double, double); // compute_ui
+  void add_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double, double, double, int); // compute_ui
 
   KOKKOS_INLINE_FUNCTION
   void compute_uarray(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
                       double, double, double,
                       double, double); // compute_ui
-  KOKKOS_INLINE_FUNCTION
+  inline
   double deltacg(int, int, int);  // init_clebsch_gordan
 
 inline
@@ -176,13 +186,7 @@ inline
   KOKKOS_INLINE_FUNCTION
   void compute_duarray(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
                        double, double, double, // compute_duidrj
-                       double, double, double, double, double);
-
-  // if number of atoms are small use per atom arrays
-  // for twojmax arrays, rij, inside, bvec
-  // this will increase the memory footprint considerably,
-  // but allows parallel filling and reuse of these arrays
-  int use_shared_arrays;
+                       double, double, double, double, double, int);
 
   // Sets the style for the switching function
   // 0 = none
diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h
index 6a19c578293665060cc38a8eec41a10a7747b3c0..f0d45cb5c2e641d53a1aeec033ef440c8a271f12 100644
--- a/src/KOKKOS/sna_kokkos_impl.h
+++ b/src/KOKKOS/sna_kokkos_impl.h
@@ -20,26 +20,24 @@
 #include <cstring>
 #include <cstdlib>
 
-using namespace LAMMPS_NS;
+namespace LAMMPS_NS {
 
 static const double MY_PI  = 3.14159265358979323846; // pi
 
 template<class DeviceType>
 inline
 SNAKokkos<DeviceType>::SNAKokkos(double rfac0_in,
-         int twojmax_in, int diagonalstyle_in, int use_shared_arrays_in,
+         int twojmax_in,
          double rmin0_in, int switch_flag_in, int bzero_flag_in)
 {
   wself = 1.0;
 
-  use_shared_arrays = use_shared_arrays_in;
   rfac0 = rfac0_in;
   rmin0 = rmin0_in;
   switch_flag = switch_flag_in;
   bzero_flag = bzero_flag_in;
 
   twojmax = twojmax_in;
-  diagonalstyle = diagonalstyle_in;
 
   ncoeff = compute_ncoeff();
 
@@ -49,13 +47,13 @@ SNAKokkos<DeviceType>::SNAKokkos(double rfac0_in,
 
   build_indexlist();
 
-  int jdim = twojmax + 1;
+  int jdimpq = twojmax + 2;
+  rootpqarray = t_sna_2d("SNAKokkos::rootpqarray",jdimpq,jdimpq);
 
-  cgarray = t_sna_5d("SNAKokkos::cgarray",jdim,jdim,jdim,jdim,jdim);
-  rootpqarray = t_sna_2d("SNAKokkos::rootpqarray",jdim+1,jdim+1);
+  cglist = t_sna_1d("SNAKokkos::cglist",idxcg_max);
 
   if (bzero_flag) {
-    bzero = Kokkos::View<double*, Kokkos::LayoutRight, DeviceType>("sna:bzero",jdim);
+    bzero = Kokkos::View<double*, Kokkos::LayoutRight, DeviceType>("sna:bzero",twojmax+1);
     auto h_bzero = Kokkos::create_mirror_view(bzero);
 
     double www = wself*wself*wself;
@@ -70,22 +68,26 @@ KOKKOS_INLINE_FUNCTION
 SNAKokkos<DeviceType>::SNAKokkos(const SNAKokkos<DeviceType>& sna, const typename Kokkos::TeamPolicy<DeviceType>::member_type& team) {
   wself = sna.wself;
 
-  use_shared_arrays = sna.use_shared_arrays;
   rfac0 = sna.rfac0;
   rmin0 = sna.rmin0;
   switch_flag = sna.switch_flag;
   bzero_flag = sna.bzero_flag;
 
   twojmax = sna.twojmax;
-  diagonalstyle = sna.diagonalstyle;
 
   ncoeff = sna.ncoeff;
   nmax = sna.nmax;
-  idxj = sna.idxj;
-  idxj_max = sna.idxj_max;
-  idxj_full = sna.idxj_full;
-  idxj_full_max = sna.idxj_full_max;
-  cgarray = sna.cgarray;
+  idxz = sna.idxz;
+  idxb = sna.idxb;
+  idxcg_max = sna.idxcg_max;
+  idxu_max = sna.idxu_max;
+  idxz_max = sna.idxz_max;
+  idxb_max = sna.idxb_max;
+  idxcg_block = sna.idxcg_block;
+  idxu_block = sna.idxu_block;
+  idxz_block = sna.idxz_block;
+  idxb_block = sna.idxb_block;
+  cglist = sna.cglist;
   rootpqarray = sna.rootpqarray;
   bzero = sna.bzero;
   create_team_scratch_arrays(team);
@@ -104,50 +106,133 @@ template<class DeviceType>
 inline
 void SNAKokkos<DeviceType>::build_indexlist()
 {
-  if(diagonalstyle == 3) {
-    int idxj_count = 0;
-    int idxj_full_count = 0;
-
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2) {
-          if (j >= j1) idxj_count++;
-          idxj_full_count++;
-        }
+  // index list for cglist
 
-    // indexList can be changed here
-
-    idxj = Kokkos::View<SNAKK_LOOPINDICES*, DeviceType>("SNAKokkos::idxj",idxj_count);
-    idxj_full = Kokkos::View<SNAKK_LOOPINDICES*, DeviceType>("SNAKokkos::idxj_full",idxj_full_count);
-    auto h_idxj = Kokkos::create_mirror_view(idxj);
-    auto h_idxj_full = Kokkos::create_mirror_view(idxj_full);
+  int jdim = twojmax + 1;
+  idxcg_block = Kokkos::View<int***, DeviceType>("SNAKokkos::idxcg_block",jdim,jdim,jdim);
+  auto h_idxcg_block = Kokkos::create_mirror_view(idxcg_block);
+
+  int idxcg_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        h_idxcg_block(j1,j2,j) = idxcg_count; 
+        for (int m1 = 0; m1 <= j1; m1++)
+          for (int m2 = 0; m2 <= j2; m2++)
+            idxcg_count++;
+      }
+  idxcg_max = idxcg_count;
+  Kokkos::deep_copy(idxcg_block,h_idxcg_block);
+
+  // index list for uarray
+  // need to include both halves
+
+  idxu_block = Kokkos::View<int*, DeviceType>("SNAKokkos::idxu_block",jdim);
+  auto h_idxu_block = Kokkos::create_mirror_view(idxu_block);
+
+  int idxu_count = 0;
+  
+  for(int j = 0; j <= twojmax; j++) {
+    h_idxu_block[j] = idxu_count; 
+    for(int mb = 0; mb <= j; mb++)
+      for(int ma = 0; ma <= j; ma++)
+        idxu_count++;
+  }
+  idxu_max = idxu_count;
+  Kokkos::deep_copy(idxu_block,h_idxu_block);
+
+  // index list for beta and B
+
+  int idxb_count = 0;  
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) idxb_count++;
+  
+  idxb_max = idxb_count;
+  idxb = Kokkos::View<SNAKK_BINDICES*, DeviceType>("SNAKokkos::idxb",idxb_max);
+  auto h_idxb = Kokkos::create_mirror_view(idxb);
+  
+  idxb_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) {
+          h_idxb[idxb_count].j1 = j1;
+          h_idxb[idxb_count].j2 = j2;
+          h_idxb[idxb_count].j = j;
+          idxb_count++;
+        }
+  Kokkos::deep_copy(idxb,h_idxb);
 
-    idxj_max = idxj_count;
-    idxj_full_max = idxj_full_count;
+  // reverse index list for beta and b
 
-    idxj_count = 0;
-    idxj_full_count = 0;
+  idxb_block = Kokkos::View<int***, DeviceType>("SNAKokkos::idxb_block",jdim,jdim,jdim);
+  auto h_idxb_block = Kokkos::create_mirror_view(idxb_block);
 
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2) {
-          if (j >= j1) {
-            h_idxj[idxj_count].j1 = j1;
-            h_idxj[idxj_count].j2 = j2;
-            h_idxj[idxj_count].j = j;
-            idxj_count++;
-          }
-          h_idxj_full[idxj_full_count].j1 = j1;
-          h_idxj_full[idxj_full_count].j2 = j2;
-          h_idxj_full[idxj_full_count].j = j;
-          idxj_full_count++;
+  idxb_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        if (j >= j1) {
+          h_idxb_block(j1,j2,j) = idxb_count; 
+          idxb_count++;
         }
-    Kokkos::deep_copy(idxj,h_idxj);
-    Kokkos::deep_copy(idxj_full,h_idxj_full);
-
-  }
-
+      }
+  Kokkos::deep_copy(idxb_block,h_idxb_block);
+
+  // index list for zlist
+
+  int idxz_count = 0;
+
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        for (int mb = 0; 2*mb <= j; mb++)
+          for (int ma = 0; ma <= j; ma++)
+            idxz_count++;
+  
+  idxz_max = idxz_count;
+  idxz = Kokkos::View<SNAKK_ZINDICES*, DeviceType>("SNAKokkos::idxz",idxz_max);
+  auto h_idxz = Kokkos::create_mirror_view(idxz);
+
+  idxz_block = Kokkos::View<int***, DeviceType>("SNAKokkos::idxz_block", jdim,jdim,jdim);
+  auto h_idxz_block = Kokkos::create_mirror_view(idxz_block);
+  
+  idxz_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        h_idxz_block(j1,j2,j) = idxz_count; 
+
+        // find right beta(ii,jjb) entry
+        // multiply and divide by j+1 factors
+        // account for multiplicity of 1, 2, or 3
+
+        for (int mb = 0; 2*mb <= j; mb++)
+          for (int ma = 0; ma <= j; ma++) {
+            h_idxz[idxz_count].j1 = j1;
+            h_idxz[idxz_count].j2 = j2;
+            h_idxz[idxz_count].j = j;
+            h_idxz[idxz_count].ma1min = MAX(0, (2 * ma - j - j2 + j1) / 2);
+            h_idxz[idxz_count].ma2max = (2 * ma - j - (2 * h_idxz[idxz_count].ma1min - j1) + j2) / 2;
+            h_idxz[idxz_count].na = MIN(j1, (2 * ma - j + j2 + j1) / 2) - h_idxz[idxz_count].ma1min + 1;
+            h_idxz[idxz_count].mb1min = MAX(0, (2 * mb - j - j2 + j1) / 2);
+            h_idxz[idxz_count].mb2max = (2 * mb - j - (2 * h_idxz[idxz_count].mb1min - j1) + j2) / 2;
+            h_idxz[idxz_count].nb = MIN(j1, (2 * mb - j + j2 + j1) / 2) - h_idxz[idxz_count].mb1min + 1;
+
+            // apply to z(j1,j2,j,ma,mb) to unique element of y(j)
+
+            const int jju = h_idxu_block[j] + (j+1)*mb + ma;
+            h_idxz[idxz_count].jju = jju;
+
+            idxz_count++;
+          }
+      }
+  Kokkos::deep_copy(idxz,h_idxz);
+  Kokkos::deep_copy(idxz_block,h_idxz_block);
 }
+
 /* ---------------------------------------------------------------------- */
 
 template<class DeviceType>
@@ -204,7 +289,7 @@ void SNAKokkos<DeviceType>::compute_ui(const typename Kokkos::TeamPolicy<DeviceT
 
     compute_uarray(team,x, y, z, z0, r);
     //Kokkos::single(Kokkos::PerThread(team), [&] (){
-    add_uarraytot(team,r, wj[j], rcutij[j]);
+    add_uarraytot(team,r, wj[j], rcutij[j], j);
     //});
   });
 
@@ -218,93 +303,218 @@ template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::compute_zi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
 {
-  // for j1 = 0,...,twojmax
-  //   for j2 = 0,twojmax
-  //     for j = |j1-j2|,Min(twojmax,j1+j2),2
-  //        for ma = 0,...,j
-  //          for mb = 0,...,jmid
-  //            z(j1,j2,j,ma,mb) = 0
-  //            for ma1 = Max(0,ma+(j1-j2-j)/2),Min(j1,ma+(j1+j2-j)/2)
-  //              sumb1 = 0
-  //              ma2 = ma-ma1+(j1+j2-j)/2;
-  //              for mb1 = Max(0,mb+(j1-j2-j)/2),Min(j1,mb+(j1+j2-j)/2)
-  //                mb2 = mb-mb1+(j1+j2-j)/2;
-  //                sumb1 += cg(j1,mb1,j2,mb2,j) *
-  //                  u(j1,ma1,mb1) * u(j2,ma2,mb2)
-  //              z(j1,j2,j,ma,mb) += sumb1*cg(j1,ma1,j2,ma2,j)
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  // compute_dbidrj() requires full j1/j2/j chunk of z elements
-  // use zarray j1/j2 symmetry
-
-  Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxj_full_max),
-      [&] (const int& idx) {
-    const int j1 = idxj_full(idx).j1;
-    const int j2 = idxj_full(idx).j2;
-    const int j =  idxj_full(idx).j;
+  Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxz_max),
+      [&] (const int& jjz) {
+  //for(int jjz = 0; jjz < idxz_max; jjz++) {
+    const int j1 = idxz[jjz].j1;
+    const int j2 = idxz[jjz].j2;
+    const int j = idxz[jjz].j;
+    const int ma1min = idxz[jjz].ma1min;
+    const int ma2max = idxz[jjz].ma2max;
+    const int na = idxz[jjz].na;
+    const int mb1min = idxz[jjz].mb1min;
+    const int mb2max = idxz[jjz].mb2max;
+    const int nb = idxz[jjz].nb;
+
+    const double* cgblock = cglist.data() + idxcg_block(j1,j2,j);
+
+    zlist_r[jjz] = 0.0; 
+    zlist_i[jjz] = 0.0;
+
+    int jju1 = idxu_block[j1] + (j1+1)*mb1min;
+    int jju2 = idxu_block[j2] + (j2+1)*mb2max;
+    int icgb = mb1min*(j2+1) + mb2max;
+    for(int ib = 0; ib < nb; ib++) {
+
+      double suma1_r = 0.0;
+      double suma1_i = 0.0;
+
+      const double* u1_r = ulisttot_r.data() + jju1;
+      const double* u1_i = ulisttot_i.data() + jju1;
+      const double* u2_r = ulisttot_r.data() + jju2;
+      const double* u2_i = ulisttot_i.data() + jju2;
+
+      int ma1 = ma1min;
+      int ma2 = ma2max;
+      int icga = ma1min*(j2+1) + ma2max;
+      for(int ia = 0; ia < na; ia++) {
+        suma1_r += cgblock[icga] * (u1_r[ma1] * u2_r[ma2] - u1_i[ma1] * u2_i[ma2]);
+        suma1_i += cgblock[icga] * (u1_r[ma1] * u2_i[ma2] + u1_i[ma1] * u2_r[ma2]);
+        ma1++;
+        ma2--;
+        icga += j2;
+      } // end loop over ia
+
+      zlist_r[jjz] += cgblock[icgb] * suma1_r;
+      zlist_i[jjz] += cgblock[icgb] * suma1_i;
+
+      jju1 += j1+1;
+      jju2 -= j2+1;
+      icgb += j2;
+    } // end loop over ib
+
+  }); // end loop over jjz
+}
 
-    const int bound = (j+2)/2;
-    Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,(j+1)*bound),
-        [&] (const int mbma ) {
-        //for(int mb = 0; 2*mb <= j; mb++)
-          //for(int ma = 0; ma <= j; ma++) {
-      const int ma = mbma%(j+1);
-      const int mb = mbma/(j+1);
-
-            //zarray_r(j1,j2,j,ma,mb) = 0.0;
-            //zarray_i(j1,j2,j,ma,mb) = 0.0;
-      double z_r = 0.0;
-      double z_i = 0.0;
-
-            for(int ma1 = MAX(0, (2 * ma - j - j2 + j1) / 2);
-                ma1 <= MIN(j1, (2 * ma - j + j2 + j1) / 2); ma1++) {
-              double sumb1_r = 0.0;
-              double sumb1_i = 0.0;
-
-              const int ma2 = (2 * ma - j - (2 * ma1 - j1) + j2) / 2;
-
-              for(int mb1  = MAX( 0, (2 * mb - j - j2 + j1) / 2);
-                mb1 <= MIN(j1, (2 * mb - j + j2 + j1) / 2); mb1++) {
-
-                const int mb2 = (2 * mb - j - (2 * mb1 - j1) + j2) / 2;
-    const double cga = cgarray(j1,j2,j,mb1,mb2);
-    const double uat1_r = uarraytot_r(j1,ma1,mb1);
-    const double uat1_i = uarraytot_i(j1,ma1,mb1);
-    const double uat2_r = uarraytot_r(j2,ma2,mb2);
-    const double uat2_i = uarraytot_i(j2,ma2,mb2);
-    sumb1_r += cga * (uat1_r * uat2_r - uat1_i * uat2_i);
-    sumb1_i += cga * (uat1_r * uat2_i + uat1_i * uat2_r);
-                /*sumb1_r += cgarray(j1,j2,j,mb1,mb2) *
-                  (uarraytot_r(j1,ma1,mb1) * uarraytot_r(j2,ma2,mb2) -
-                   uarraytot_i(j1,ma1,mb1) * uarraytot_i(j2,ma2,mb2));
-                sumb1_i += cgarray(j1,j2,j,mb1,mb2) *
-                  (uarraytot_r(j1,ma1,mb1) * uarraytot_i(j2,ma2,mb2) +
-                   uarraytot_i(j1,ma1,mb1) * uarraytot_r(j2,ma2,mb2));*/
-              } // end loop over mb1
-
-        const double cga = cgarray(j1,j2,j,ma1,ma2);
-              z_r += sumb1_r * cga;//rray(j1,j2,j,ma1,ma2);
-              z_i += sumb1_i * cga;//rray(j1,j2,j,ma1,ma2);
-            } // end loop over ma1
-      zarray_r(j1,j2,j,mb,ma) = z_r;
-            zarray_i(j1,j2,j,mb,ma) = z_i;
-          }); // end loop over ma, mb
-    //  }
-    //}
+/* ----------------------------------------------------------------------
+   compute Yi from Ui without storing Zi, looping over zlist indices
+------------------------------------------------------------------------- */
+
+template<class DeviceType>
+KOKKOS_INLINE_FUNCTION
+void SNAKokkos<DeviceType>::compute_yi(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
+ const Kokkos::View<F_FLOAT**, DeviceType> &beta, const int ii)
+{
+  double betaj;
+
+  {
+    double* const ptr = ylist_r.data();
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team,ylist_r.span()),
+        [&] (const int& i) {
+      ptr[i] = 0.0;
+    });
+  }
+  {
+    double* const ptr = ylist_i.data();
+    Kokkos::parallel_for(Kokkos::TeamThreadRange(team,ylist_i.span()),
+        [&] (const int& i) {
+      ptr[i] = 0.0;
+    });
+  }
+
+  Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxz_max),
+      [&] (const int& jjz) {
+  //for(int jjz = 0; jjz < idxz_max; jjz++) {
+    const int j1 = idxz[jjz].j1;
+    const int j2 = idxz[jjz].j2;
+    const int j = idxz[jjz].j;
+    const int ma1min = idxz[jjz].ma1min;
+    const int ma2max = idxz[jjz].ma2max;
+    const int na = idxz[jjz].na;
+    const int mb1min = idxz[jjz].mb1min;
+    const int mb2max = idxz[jjz].mb2max;
+    const int nb = idxz[jjz].nb;
+
+    const double* cgblock = cglist.data() + idxcg_block(j1,j2,j);
+    //int mb = (2 * (mb1min+mb2max) - j1 - j2 + j) / 2;
+    //int ma = (2 * (ma1min+ma2max) - j1 - j2 + j) / 2;
+
+    double ztmp_r = 0.0;
+    double ztmp_i = 0.0;
+
+    int jju1 = idxu_block[j1] + (j1+1)*mb1min;
+    int jju2 = idxu_block[j2] + (j2+1)*mb2max;
+    int icgb = mb1min*(j2+1) + mb2max;
+    for(int ib = 0; ib < nb; ib++) {
+
+      double suma1_r = 0.0;
+      double suma1_i = 0.0;
+
+      const double* u1_r = ulisttot_r.data() + jju1;
+      const double* u1_i = ulisttot_i.data() + jju1;
+      const double* u2_r = ulisttot_r.data() + jju2;
+      const double* u2_i = ulisttot_i.data() + jju2;
+
+      int ma1 = ma1min;
+      int ma2 = ma2max;
+      int icga = ma1min*(j2+1) + ma2max;
+
+      for(int ia = 0; ia < na; ia++) {
+        suma1_r += cgblock[icga] * (u1_r[ma1] * u2_r[ma2] - u1_i[ma1] * u2_i[ma2]);
+        suma1_i += cgblock[icga] * (u1_r[ma1] * u2_i[ma2] + u1_i[ma1] * u2_r[ma2]);        ma1++;
+        ma2--;
+        icga += j2;
+      } // end loop over ia
+
+      ztmp_r += cgblock[icgb] * suma1_r;
+      ztmp_i += cgblock[icgb] * suma1_i;
+      jju1 += j1+1;
+      jju2 -= j2+1;
+      icgb += j2;
+    } // end loop over ib
+
+    // apply to z(j1,j2,j,ma,mb) to unique element of y(j)
+    // find right y_list[jju] and beta(ii,jjb) entries
+    // multiply and divide by j+1 factors
+    // account for multiplicity of 1, 2, or 3
+
+    const int jju = idxz[jjz].jju;
+
+  // pick out right beta value
+
+    if (j >= j1) {
+      const int jjb = idxb_block(j1,j2,j);
+      if (j1 == j) {
+        if (j2 == j) betaj = 3*beta(ii,jjb);
+        else betaj = 2*beta(ii,jjb);
+      } else betaj = beta(ii,jjb); 
+    } else if (j >= j2) {
+      const int jjb = idxb_block(j,j2,j1);
+      if (j2 == j) betaj = 2*beta(ii,jjb)*(j1+1)/(j+1.0);
+      else betaj = beta(ii,jjb)*(j1+1)/(j+1.0);
+    } else {
+      const int jjb = idxb_block(j2,j,j1);
+      betaj = beta(ii,jjb)*(j1+1)/(j+1.0);
+    }
+
+  Kokkos::single(Kokkos::PerThread(team), [&] () {
+    ylist_r[jju] += betaj*ztmp_r;
+    ylist_i[jju] += betaj*ztmp_i;
   });
-      //} // end loop over j
-    //} // end loop over j1, j2
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[1] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+  }); // end loop over jjz
 }
 
+/* ----------------------------------------------------------------------
+   compute dEidRj
+------------------------------------------------------------------------- */
+
+template<class DeviceType>
+KOKKOS_INLINE_FUNCTION
+void SNAKokkos<DeviceType>::compute_deidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double* dedr)
+{
+  t_scalar3<double> sum;
+
+  Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,twojmax+1),
+      [&] (const int& j, t_scalar3<double>& sum_tmp) {
+  //for(int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+
+    for(int mb = 0; 2*mb < j; mb++)
+      for(int ma = 0; ma <= j; ma++) {
+        sum_tmp.x += dulist_r(jju,0) * ylist_r[jju] + dulist_i(jju,0) * ylist_i[jju];
+        sum_tmp.y += dulist_r(jju,1) * ylist_r[jju] + dulist_i(jju,1) * ylist_i[jju];
+        sum_tmp.z += dulist_r(jju,2) * ylist_r[jju] + dulist_i(jju,2) * ylist_i[jju];
+        jju++;
+      } //end loop over ma mb
+
+    // For j even, handle middle column
+
+    if (j%2 == 0) {
+
+      int mb = j/2;
+      for(int ma = 0; ma < mb; ma++) {
+        sum_tmp.x += dulist_r(jju,0) * ylist_r[jju] + dulist_i(jju,0) * ylist_i[jju];
+        sum_tmp.y += dulist_r(jju,1) * ylist_r[jju] + dulist_i(jju,1) * ylist_i[jju];
+        sum_tmp.z += dulist_r(jju,2) * ylist_r[jju] + dulist_i(jju,2) * ylist_i[jju];
+        jju++;
+      }
+
+      //int ma = mb;
+      sum_tmp.x += (dulist_r(jju,0) * ylist_r[jju] + dulist_i(jju,0) * ylist_i[jju])*0.5;
+      sum_tmp.y += (dulist_r(jju,1) * ylist_r[jju] + dulist_i(jju,1) * ylist_i[jju])*0.5;
+      sum_tmp.z += (dulist_r(jju,2) * ylist_r[jju] + dulist_i(jju,2) * ylist_i[jju])*0.5;
+    } // end if jeven
+
+  },sum); // end loop over j
+
+  Kokkos::single(Kokkos::PerThread(team), [&] () {
+    dedr[0] = sum.x*2.0;
+    dedr[1] = sum.y*2.0;
+    dedr[2] = sum.z*2.0;
+  });
+
+}
 
 /* ----------------------------------------------------------------------
    compute Bi by summing conj(Ui)*Zi
@@ -323,31 +533,32 @@ void SNAKokkos<DeviceType>::compute_bi(const typename Kokkos::TeamPolicy<DeviceT
   //            b(j1,j2,j) +=
   //              2*Conj(u(j,ma,mb))*z(j1,j2,j,ma,mb)
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxj_full_max),
-      [&] (const int& idx) {
-    const int j1 = idxj_full(idx).j1;
-    const int j2 = idxj_full(idx).j2;
-    const int j =  idxj_full(idx).j;
-
+  Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxb_max),
+      [&] (const int& jjb) {
+  //for(int jjb = 0; jjb < idxb_max; jjb++) {
+    const int j1 = idxb[jjb].j1;
+    const int j2 = idxb[jjb].j2;
+    const int j = idxb[jjb].j;
+
+    int jjz = idxz_block(j1,j2,j);
+    int jju = idxu_block[j];
+    double sumzu = 0.0;
+    double sumzu_temp = 0.0;
     const int bound = (j+2)/2;
-    double b_j1_j2_j = 0.0;
-    double b_j1_j2_j_temp = 0.0;
     Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,(j+1)*bound),
         [&] (const int mbma, double& sum) {
-        //for(int mb = 0; 2*mb <= j; mb++)
+        //for(int mb = 0; 2*mb < j; mb++)
           //for(int ma = 0; ma <= j; ma++) {
         const int ma = mbma%(j+1);
         const int mb = mbma/(j+1);
+        const int jju_index = jju+mb*(j+1)+ma;
+        const int jjz_index = jjz+mb*(j+1)+ma;
         if (2*mb == j) return;
         sum +=
-          uarraytot_r(j,ma,mb) * zarray_r(j1,j2,j,mb,ma) +
-          uarraytot_i(j,ma,mb) * zarray_i(j1,j2,j,mb,ma);
-      },b_j1_j2_j_temp); // end loop over ma, mb
-      b_j1_j2_j += b_j1_j2_j_temp;
+          ulisttot_r(jju_index) * zlist_r(jjz_index) +
+          ulisttot_i(jju_index) * zlist_i(jjz_index);
+      },sumzu_temp); // end loop over ma, mb
+      sumzu += sumzu_temp;
 
     // For j even, special treatment for middle column
 
@@ -356,101 +567,35 @@ void SNAKokkos<DeviceType>::compute_bi(const typename Kokkos::TeamPolicy<DeviceT
       Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team, mb),
           [&] (const int ma, double& sum) {
       //for(int ma = 0; ma < mb; ma++) {
+        const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma;
+        const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma;
         sum +=
-          uarraytot_r(j,ma,mb) * zarray_r(j1,j2,j,mb,ma) +
-          uarraytot_i(j,ma,mb) * zarray_i(j1,j2,j,mb,ma);
-      },b_j1_j2_j_temp); // end loop over ma
-      b_j1_j2_j += b_j1_j2_j_temp;
+          ulisttot_r(jju_index) * zlist_r(jjz_index) +
+          ulisttot_i(jju_index) * zlist_i(jjz_index);
+      },sumzu_temp); // end loop over ma
+      sumzu += sumzu_temp;
 
       const int ma = mb;
-      b_j1_j2_j +=
-        (uarraytot_r(j,ma,mb) * zarray_r(j1,j2,j,mb,ma) +
-         uarraytot_i(j,ma,mb) * zarray_i(j1,j2,j,mb,ma))*0.5;
-    }
+      const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma;
+      const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma;
+      sumzu += 0.5*
+        (ulisttot_r(jju_index) * zlist_r(jjz_index) +
+         ulisttot_i(jju_index) * zlist_i(jjz_index));
+    } // end if jeven
 
     Kokkos::single(Kokkos::PerThread(team), [&] () {
-      b_j1_j2_j *= 2.0;
+      sumzu *= 2.0;
+
+      // apply bzero shift
+
       if (bzero_flag)
-        b_j1_j2_j -= bzero[j];
+        sumzu -= bzero[j];
 
-      barray(j1,j2,j) = b_j1_j2_j;
+      blist(jjb) = sumzu;
     });
   });
       //} // end loop over j
     //} // end loop over j1, j2
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[2] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
-
-}
-
-/* ----------------------------------------------------------------------
-   copy Bi derivatives into a vector
-------------------------------------------------------------------------- */
-
-template<class DeviceType>
-KOKKOS_INLINE_FUNCTION
-void SNAKokkos<DeviceType>::copy_bi2bvec(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
-{
- /* int ncount, j1, j2, j;
-
-  ncount = 0;
-
-  for(j1 = 0; j1 <= twojmax; j1++) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-            if (j >= j1) {*/
-  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,idxj_max),
-          [&] (const int& JJ) {
-  //for(int JJ = 0; JJ < idxj_max; JJ++) {
-    const int j1 = idxj[JJ].j1;
-    const int j2 = idxj[JJ].j2;
-    const int j =  idxj[JJ].j;
-    bvec(JJ) = barray(j1,j2,j);
-    //ncount++;
-  });
-}
-
-/* ----------------------------------------------------------------------
-   calculate derivative of Ui w.r.t. atom j
-------------------------------------------------------------------------- */
-
-template<class DeviceType>
-KOKKOS_INLINE_FUNCTION
-void SNAKokkos<DeviceType>::compute_duidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
-                         double* rij, double wj, double rcut)
-{
-  double rsq, r, x, y, z, z0, theta0, cs, sn;
-  double dz0dr;
-
-  x = rij[0];
-  y = rij[1];
-  z = rij[2];
-  rsq = x * x + y * y + z * z;
-  r = sqrt(rsq);
-  double rscale0 = rfac0 * MY_PI / (rcut - rmin0);
-  theta0 = (r - rmin0) * rscale0;
-  cs = cos(theta0);
-  sn = sin(theta0);
-  z0 = r * cs / sn;
-  dz0dr = z0 / r - (r*rscale0) * (rsq + z0 * z0) / rsq;
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  compute_duarray(team, x, y, z, z0, r, dz0dr, wj, rcut);
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[3] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
-
 }
 
 /* ----------------------------------------------------------------------
@@ -485,21 +630,15 @@ void SNAKokkos<DeviceType>::compute_dbidrj(const typename Kokkos::TeamPolicy<Dev
   //              Conj(dudr(j2,ma2,mb2))*z(j1,j,j2,ma2,mb2)
   //        dbdr(j1,j2,j) += 2*zdb*(j+1)/(j2+1)
 
-  double* dudr_r, *dudr_i;
-  double jjjmambzarray_r;
-  double jjjmambzarray_i;
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,idxj_max),
-          [&] (const int& JJ) {
-  //for(int JJ = 0; JJ < idxj_max; JJ++) {
-    const int j1 = idxj[JJ].j1;
-    const int j2 = idxj[JJ].j2;
-    const int j = idxj[JJ].j;
-
-//    dbdr = &dbarray(j1,j2,j,0);
+
+  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,idxb_max),
+          [&] (const int& jjb) {
+  //for(int jjb = 0; jjb < idxb_max; jjb++) {
+    const int j1 = idxb[jjb].j1;
+    const int j2 = idxb[jjb].j2;
+    const int j = idxb[jjb].j;
+
+//    dbdr = dblist(jjb);
 //    dbdr[0] = 0.0;
 //    dbdr[1] = 0.0;
 //    dbdr[2] = 0.0;
@@ -507,34 +646,16 @@ void SNAKokkos<DeviceType>::compute_dbidrj(const typename Kokkos::TeamPolicy<Dev
     t_scalar3<double> dbdr,sumzdu_r;
     // Sum terms Conj(dudr(j,ma,mb))*z(j1,j2,j,ma,mb)
 
-    // use zarray j1/j2 symmetry (optional)
-
-    int j_,j1_,j2_;
-    if (j1 >= j2) {
-      //jjjzarray_r = &zarray_r(j1,j2,j);
-      //jjjzarray_i = &zarray_i(j1,j2,j);
-      j1_ = j1;
-      j2_ = j2;
-      j_ = j;
-    } else {
-      j1_ = j2;
-      j2_ = j1;
-      j_ = j;
-      //jjjzarray_r = &zarray_r(j2,j1,j);
-      //jjjzarray_i = &zarray_i(j2,j1,j);
-    }
+    int jjz = idxz_block(j1,j2,j);
+    int jju = idxu_block[j];
 
     for(int mb = 0; 2*mb < j; mb++)
       for(int ma = 0; ma <= j; ma++) {
-
-        dudr_r = &duarray_r(j,mb,ma,0);
-        dudr_i = &duarray_i(j,mb,ma,0);
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb,ma);
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb,ma);
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
-
+        const int jju_index = jju+mb*(j+1)+ma;
+        const int jjz_index = jjz+mb*(j+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
       } //end loop over ma mb
 
     // For j even, handle middle column
@@ -542,14 +663,19 @@ void SNAKokkos<DeviceType>::compute_dbidrj(const typename Kokkos::TeamPolicy<Dev
     if (j%2 == 0) {
       int mb = j/2;
       for(int ma = 0; ma <= mb; ma++) {
-        dudr_r = &duarray_r(j,mb,ma,0);
-        dudr_i = &duarray_i(j,mb,ma,0);
-        const double factor = ma==mb?0.5:1.0;
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb,ma) * factor;
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb,ma) * factor;
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
+        const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma;
+        const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
+      }
+      int ma = mb;
+      const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma;
+      const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma;
+      for(int k = 0; k < 3; k++) {
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz] + dulist_i(jju_index,0) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz] + dulist_i(jju_index,1) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz] + dulist_i(jju_index,2) * zlist_i[jjz_index])*0.5;
       }
     } // end if jeven
 
@@ -559,50 +685,38 @@ void SNAKokkos<DeviceType>::compute_dbidrj(const typename Kokkos::TeamPolicy<Dev
 
     double j1fac = (j+1)/(j1+1.0);
 
-    sumzdu_r.x = 0.0; sumzdu_r.y = 0.0; sumzdu_r.z = 0.0;
-
-    // use zarray j1/j2 symmetry (optional)
-
-    if (j >= j2) {
-      j1_ = j;
-      j2_ = j2;
-      j_ = j1;
+    jjz = idxz_block(j,j2,j1);
+    jju = idxu_block[j1];
 
-      //jjjzarray_r = zarray_r(j,j2,j1);
-      //jjjzarray_i = zarray_i(j,j2,j1);
-    } else {
-      j1_ = j2;
-      j2_ = j;
-      j_ = j1;
-      //jjjzarray_r = zarray_r(j2,j,j1);
-      //jjjzarray_i = zarray_i(j2,j,j1);
-    }
-
-    for(int mb1 = 0; 2*mb1 < j1; mb1++)
-      for(int ma1 = 0; ma1 <= j1; ma1++) {
+    sumzdu_r.x = 0.0; sumzdu_r.y = 0.0; sumzdu_r.z = 0.0;
 
-        dudr_r = &duarray_r(j1,mb1,ma1,0);
-        dudr_i = &duarray_i(j1,mb1,ma1,0);
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb1,ma1);
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb1,ma1);
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
+    for(int mb = 0; 2*mb < j1; mb++)
+      for(int ma = 0; ma <= j1; ma++) {
+        const int jju_index = jju+mb*(j1+1)+ma;
+        const int jjz_index = jjz+mb*(j1+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
       } //end loop over ma1 mb1
 
     // For j1 even, handle middle column
 
     if (j1%2 == 0) {
-      const int mb1 = j1/2;
-      for(int ma1 = 0; ma1 <= mb1; ma1++) {
-        dudr_r = &duarray_r(j1,mb1,ma1,0);
-        dudr_i = &duarray_i(j1,mb1,ma1,0);
-        const double factor = ma1==mb1?0.5:1.0;
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb1,ma1) * factor;
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb1,ma1) * factor;
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
+      const int mb = j1/2;
+      for(int ma = 0; ma <= mb; ma++) {
+        const int jju_index = jju+(mb-1)*(j1+1)+(j1+1)+ma;
+        const int jjz_index = jjz+(mb-1)*(j1+1)+(j1+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
+      }
+      int ma = mb;
+      const int jju_index = jju+(mb-1)*(j1+1)+(j1+1)+ma;
+      const int jjz_index = jjz+(mb-1)*(j1+1)+(j1+1)+ma;
+      for(int k = 0; k < 3; k++) {
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz] + dulist_i(jju_index,0) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz] + dulist_i(jju_index,1) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz] + dulist_i(jju_index,2) * zlist_i[jjz_index])*0.5;
       }
     } // end if j1even
 
@@ -612,94 +726,74 @@ void SNAKokkos<DeviceType>::compute_dbidrj(const typename Kokkos::TeamPolicy<Dev
 
     double j2fac = (j+1)/(j2+1.0);
 
-    sumzdu_r.x = 0.0; sumzdu_r.y = 0.0; sumzdu_r.z = 0.0;
-
-    // use zarray j1/j2 symmetry (optional)
+    jjz = idxz_block(j,j1,j2);
+    jju = idxu_block[j2];
 
-    if (j1 >= j) {
-      j1_ = j1;
-      j2_ = j;
-      j_ = j2;
-      //jjjzarray_r = zarray_r(j1,j,j2);
-      //jjjzarray_i = zarray_i(j1,j,j2);
-    } else {
-      j1_ = j;
-      j2_ = j1;
-      j_ = j2;
-      //jjjzarray_r = zarray_r(j,j1,j2);
-      //jjjzarray_i = zarray_i(j,j1,j2);
-    }
-
-    for(int mb2 = 0; 2*mb2 < j2; mb2++)
-      for(int ma2 = 0; ma2 <= j2; ma2++) {
+    sumzdu_r.x = 0.0; sumzdu_r.y = 0.0; sumzdu_r.z = 0.0;
 
-        dudr_r = &duarray_r(j2,mb2,ma2,0);
-        dudr_i = &duarray_i(j2,mb2,ma2,0);
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb2,ma2);
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb2,ma2);
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
+    for(int mb = 0; 2*mb < j2; mb++)
+      for(int ma = 0; ma <= j2; ma++) {
+        const int jju_index = jju+mb*(j2+1)+ma;
+        const int jjz_index = jjz+mb*(j2+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
       } //end loop over ma2 mb2
 
     // For j2 even, handle middle column
 
     if (j2%2 == 0) {
-      const int mb2 = j2/2;
-      for(int ma2 = 0; ma2 <= mb2; ma2++) {
-        dudr_r = &duarray_r(j2,mb2,ma2,0);
-        dudr_i = &duarray_i(j2,mb2,ma2,0);
-        const double factor = ma2==mb2?0.5:1.0;
-        jjjmambzarray_r = zarray_r(j1_,j2_,j_,mb2,ma2) * factor;
-        jjjmambzarray_i = zarray_i(j1_,j2_,j_,mb2,ma2) * factor;
-        sumzdu_r.x += (dudr_r[0] * jjjmambzarray_r + dudr_i[0] * jjjmambzarray_i);
-        sumzdu_r.y += (dudr_r[1] * jjjmambzarray_r + dudr_i[1] * jjjmambzarray_i);
-        sumzdu_r.z += (dudr_r[2] * jjjmambzarray_r + dudr_i[2] * jjjmambzarray_i);
+      const int mb = j2/2;
+      for(int ma = 0; ma <= mb; ma++) {
+        const int jju_index = jju+(mb-1)*(j2+1)+(j2+1)+ma;
+        const int jjz_index = jjz+(mb-1)*(j2+1)+(j2+1)+ma;
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz_index] + dulist_i(jju_index,0) * zlist_i[jjz_index]);
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz_index] + dulist_i(jju_index,1) * zlist_i[jjz_index]);
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz_index] + dulist_i(jju_index,2) * zlist_i[jjz_index]);
+      }
+      int ma = mb;
+      const int jju_index = jju+(mb-1)*(j2+1)+(j2+1)+ma;
+      const int jjz_index = jjz+(mb-1)*(j2+1)+(j2+1)+ma;
+      for(int k = 0; k < 3; k++) {
+        sumzdu_r.x += (dulist_r(jju_index,0) * zlist_r[jjz] + dulist_i(jju_index,0) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.y += (dulist_r(jju_index,1) * zlist_r[jjz] + dulist_i(jju_index,1) * zlist_i[jjz_index])*0.5;
+        sumzdu_r.z += (dulist_r(jju_index,2) * zlist_r[jjz] + dulist_i(jju_index,2) * zlist_i[jjz_index])*0.5;
       }
     } // end if j2even
 
     dbdr += 2.0*sumzdu_r*j2fac;
-    dbarray(j1,j2,j,0) = dbdr.x;
-    dbarray(j1,j2,j,1) = dbdr.y;
-    dbarray(j1,j2,j,2) = dbdr.z;
-  }); //end loop over j1 j2 j
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[4] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+    dblist(jjb,0) = dbdr.x;
+    dblist(jjb,1) = dbdr.y;
+    dblist(jjb,2) = dbdr.z;
 
+  }); //end loop over j1 j2 j
 }
 
 /* ----------------------------------------------------------------------
-   copy Bi derivatives into a vector
+   calculate derivative of Ui w.r.t. atom j
 ------------------------------------------------------------------------- */
 
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
-void SNAKokkos<DeviceType>::copy_dbi2dbvec(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
+void SNAKokkos<DeviceType>::compute_duidrj(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
+                         double* rij, double wj, double rcut, int jj)
 {
- /* int ncount, j1, j2, j;
+  double rsq, r, x, y, z, z0, theta0, cs, sn;
+  double dz0dr;
 
-  ncount = 0;
+  x = rij[0];
+  y = rij[1];
+  z = rij[2];
+  rsq = x * x + y * y + z * z;
+  r = sqrt(rsq);
+  double rscale0 = rfac0 * MY_PI / (rcut - rmin0);
+  theta0 = (r - rmin0) * rscale0;
+  cs = cos(theta0);
+  sn = sin(theta0);
+  z0 = r * cs / sn;
+  dz0dr = z0 / r - (r*rscale0) * (rsq + z0 * z0) / rsq;
 
-  for(j1 = 0; j1 <= twojmax; j1++) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) {*/
-  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,idxj_max),
-          [&] (const int& JJ) {
-  //for(int JJ = 0; JJ < idxj_max; JJ++) {
-    const int j1 = idxj[JJ].j1;
-    const int j2 = idxj[JJ].j2;
-    const int j = idxj[JJ].j;
-    dbvec(JJ,0) = dbarray(j1,j2,j,0);
-    dbvec(JJ,1) = dbarray(j1,j2,j,1);
-    dbvec(JJ,2) = dbarray(j1,j2,j,2);
-    //ncount++;
-  });
+  compute_duarray(team, x, y, z, z0, r, dz0dr, wj, rcut, jj);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -709,15 +803,15 @@ KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::zero_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
 {
   {
-    double* const ptr = uarraytot_r.data();
-    Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,uarraytot_r.span()),
+    double* const ptr = ulisttot_r.data();
+    Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,ulisttot_r.span()),
         [&] (const int& i) {
       ptr[i] = 0.0;
     });
   }
   {
-    double* const ptr = uarraytot_i.data();
-    Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,uarraytot_r.span()),
+    double* const ptr = ulisttot_i.data();
+    Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,ulisttot_i.span()),
         [&] (const int& i) {
       ptr[i] = 0.0;
     });
@@ -730,12 +824,14 @@ template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::addself_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double wself_in)
 {
-  //for (int j = 0; j <= twojmax; j++)
   Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,twojmax+1),
     [&] (const int& j) {
+  //for (int j = 0; j <= twojmax; j++)
+    int jju = idxu_block[j];
     for (int ma = 0; ma <= j; ma++) {
-      uarraytot_r(j,ma,ma) = wself_in;
-      uarraytot_i(j,ma,ma) = 0.0;
+      ulisttot_r[jju] = wself_in;
+      ulisttot_i[jju] = 0.0;
+      jju += j+2;
     }
   });
 }
@@ -746,27 +842,28 @@ void SNAKokkos<DeviceType>::addself_uarraytot(const typename Kokkos::TeamPolicy<
 
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
-void SNAKokkos<DeviceType>::add_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team, double r, double wj, double rcut)
+void SNAKokkos<DeviceType>::add_uarraytot(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
+                                          double r, double wj, double rcut, int j)
 {
   const double sfac = compute_sfac(r, rcut) * wj;
 
-/*
-  for (int j = 0; j <= twojmax; j++)
-    for (int ma = 0; ma <= j; ma++)
-      for (int mb = 0; mb <= j; mb++) {
-        uarraytot_r_a(j,ma,mb) +=
-          sfac * uarray_r(j,ma,mb);
-        uarraytot_i_a(j,ma,mb) +=
-          sfac * uarray_i(j,ma,mb);
-      }*/
-  const double* const ptr_r = uarray_r.data();
-  const double* const ptr_i = uarray_i.data();
-  double* const ptrtot_r = uarraytot_r.data();
-  double* const ptrtot_i = uarraytot_i.data();
-  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,uarraytot_r.span()),
+  const double* const ptr_r = ulist_r.data();
+  const double* const ptr_i = ulist_i.data();
+  double* const ptrtot_r = ulisttot_r.data();
+  double* const ptrtot_i = ulisttot_i.data();
+
+  Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+    ulist_r_j(ulist_r_ij,j,Kokkos::ALL);
+  Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+    ulist_i_j(ulist_i_ij,j,Kokkos::ALL);
+
+  Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,ulisttot_r.span()),
       [&] (const int& i) {
     Kokkos::atomic_add(ptrtot_r+i, sfac * ptr_r[i]);
     Kokkos::atomic_add(ptrtot_i+i, sfac * ptr_i[i]);
+
+    ulist_r_j(i) = ulist_r(i);
+    ulist_i_j(i) = ulist_i(i);
   });
 }
 
@@ -794,69 +891,73 @@ void SNAKokkos<DeviceType>::compute_uarray(const typename Kokkos::TeamPolicy<Dev
 
   // VMK Section 4.8.2
 
-  uarray_r(0,0,0) = 1.0;
-  uarray_i(0,0,0) = 0.0;
+  ulist_r[0] = 1.0;
+  ulist_i[0] = 0.0;
 
   for (int j = 1; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    int jjup = idxu_block[j-1];
 
     // fill in left side of matrix layer from previous layer
 
     Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,(j+2)/2),
         [&] (const int& mb) {
-      //const int mb = 2*mb_2;
     //for (int mb = 0; 2*mb <= j; mb++) {
-      uarray_r(j,0,mb) = 0.0;
-      uarray_i(j,0,mb) = 0.0;
+      const int jju_index = jju+mb+mb*j;
+      ulist_r[jju_index] = 0.0;
+      ulist_i[jju_index] = 0.0;
 
       for (int ma = 0; ma < j; ma++) {
+        const int jju_index = jju+mb+mb*j+ma;
+        const int jjup_index = jjup+mb*j+ma;
         rootpq = rootpqarray(j - ma,j - mb);
-        uarray_r(j,ma,mb) +=
+        ulist_r[jju_index] +=
           rootpq *
-          (a_r * uarray_r(j - 1,ma,mb) +
-           a_i * uarray_i(j - 1,ma,mb));
-        uarray_i(j,ma,mb) +=
+          (a_r * ulist_r[jjup_index] +
+           a_i * ulist_i[jjup_index]);
+        ulist_i[jju_index] +=
           rootpq *
-          (a_r * uarray_i(j - 1,ma,mb) -
-           a_i * uarray_r(j - 1,ma,mb));
+          (a_r * ulist_i[jjup_index] -
+           a_i * ulist_r[jjup_index]);
 
         rootpq = rootpqarray(ma + 1,j - mb);
-        uarray_r(j,ma + 1,mb) =
+        ulist_r[jju_index+1] =
           -rootpq *
-          (b_r * uarray_r(j - 1,ma,mb) +
-           b_i * uarray_i(j - 1,ma,mb));
-        uarray_i(j,ma + 1,mb) =
+          (b_r * ulist_r[jjup_index] +
+           b_i * ulist_i[jjup_index]);
+        ulist_i[jju_index+1] =
           -rootpq *
-          (b_r * uarray_i(j - 1,ma,mb) -
-           b_i * uarray_r(j - 1,ma,mb));
+          (b_r * ulist_i[jjup_index] -
+           b_i * ulist_r[jjup_index]);
       }
     });
 
     // copy left side to right side with inversion symmetry VMK 4.4(2)
     // u[ma-j,mb-j] = (-1)^(ma-mb)*Conj([u[ma,mb))
 
-    //int mbpar = -1;
+    jju = idxu_block[j];
+    jjup = jju+(j+1)*(j+1)-1;
     Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,(j+2)/2),
         [&] (const int& mb) {
 //    for (int mb = 0; 2*mb <= j; mb++) {
       int mbpar = (mb)%2==0?1:-1;
-      int mapar = -mbpar;
+      int mapar = mbpar;
       for (int ma = 0; ma <= j; ma++) {
-        mapar = -mapar;
+        const int jju_index = jju+mb*(j+1)+ma;
+        const int jjup_index = jjup-mb*(j+1)-ma;
         if (mapar == 1) {
-          uarray_r(j,j-ma,j-mb) = uarray_r(j,ma,mb);
-          uarray_i(j,j-ma,j-mb) = -uarray_i(j,ma,mb);
+          ulist_r[jjup_index] = ulist_r[jju_index];
+          ulist_i[jjup_index] = -ulist_i[jju_index];
         } else {
-          uarray_r(j,j-ma,j-mb) = -uarray_r(j,ma,mb);
-          uarray_i(j,j-ma,j-mb) = uarray_i(j,ma,mb);
+          ulist_r[jjup_index] = -ulist_r[jju_index];
+          ulist_i[jjup_index] = ulist_i[jju_index];
         }
-        //OK
-        //printf("%lf %lf %lf %lf %lf %lf %lf SNAP-COMPARE: UARRAY\n",x,y,z,z0,r,uarray_r(j,ma,mb),uarray_i(j,ma,mb));
+        mapar = -mapar;
       }
     });
   }
 }
 
-
 /* ----------------------------------------------------------------------
    compute derivatives of Wigner U-functions for one neighbor
    see comments in compute_uarray()
@@ -867,7 +968,7 @@ KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::compute_duarray(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team,
                           double x, double y, double z,
                           double z0, double r, double dz0dr,
-                          double wj, double rcut)
+                          double wj, double rcut, int jj)
 {
   double r0inv;
   double a_r, a_i, b_r, b_i;
@@ -911,97 +1012,90 @@ void SNAKokkos<DeviceType>::compute_duarray(const typename Kokkos::TeamPolicy<De
   db_i[0] += -r0inv;
   db_r[1] += r0inv;
 
-  uarray_r(0,0,0) = 1.0;
-  duarray_r(0,0,0,0) = 0.0;
-  duarray_r(0,0,0,1) = 0.0;
-  duarray_r(0,0,0,2) = 0.0;
-  uarray_i(0,0,0) = 0.0;
-  duarray_i(0,0,0,0) = 0.0;
-  duarray_i(0,0,0,1) = 0.0;
-  duarray_i(0,0,0,2) = 0.0;
+  Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+    ulist_r(ulist_r_ij,jj,Kokkos::ALL);
+  Kokkos::View<double*,Kokkos::LayoutRight,DeviceType,Kokkos::MemoryTraits<Kokkos::Unmanaged>>
+    ulist_i(ulist_i_ij,jj,Kokkos::ALL);
+
+  dulist_r(0,0) = 0.0;
+  dulist_r(0,1) = 0.0;
+  dulist_r(0,2) = 0.0;
+  dulist_i(0,0) = 0.0;
+  dulist_i(0,1) = 0.0;
+  dulist_i(0,2) = 0.0;
 
   for (int j = 1; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    int jjup = idxu_block[j-1];
     Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,(j+2)/2),
         [&] (const int& mb) {
-
     //for (int mb = 0; 2*mb <= j; mb++) {
-      uarray_r(j,0,mb) = 0.0;
-      duarray_r(j,mb,0,0) = 0.0;
-      duarray_r(j,mb,0,1) = 0.0;
-      duarray_r(j,mb,0,2) = 0.0;
-      uarray_i(j,0,mb) = 0.0;
-      duarray_i(j,mb,0,0) = 0.0;
-      duarray_i(j,mb,0,1) = 0.0;
-      duarray_i(j,mb,0,2) = 0.0;
+      const int jju_index = jju+mb+mb*j;
+      dulist_r(jju_index,0) = 0.0;
+      dulist_r(jju_index,1) = 0.0;
+      dulist_r(jju_index,2) = 0.0;
+      dulist_i(jju_index,0) = 0.0;
+      dulist_i(jju_index,1) = 0.0;
+      dulist_i(jju_index,2) = 0.0;
 
       for (int ma = 0; ma < j; ma++) {
+        const int jju_index = jju+mb+mb*j+ma;
+        const int jjup_index = jjup+mb*j+ma;
         rootpq = rootpqarray(j - ma,j - mb);
-        uarray_r(j,ma,mb) += rootpq *
-                               (a_r *  uarray_r(j - 1,ma,mb) +
-                                a_i *  uarray_i(j - 1,ma,mb));
-        uarray_i(j,ma,mb) += rootpq *
-                               (a_r *  uarray_i(j - 1,ma,mb) -
-                                a_i *  uarray_r(j - 1,ma,mb));
-
         for (int k = 0; k < 3; k++) {
-          duarray_r(j,mb,ma,k) +=
-            rootpq * (da_r[k] * uarray_r(j - 1,ma,mb) +
-                      da_i[k] * uarray_i(j - 1,ma,mb) +
-                      a_r * duarray_r(j - 1,mb,ma,k) +
-                      a_i * duarray_i(j - 1,mb,ma,k));
-          duarray_i(j,mb,ma,k) +=
-            rootpq * (da_r[k] * uarray_i(j - 1,ma,mb) -
-                      da_i[k] * uarray_r(j - 1,ma,mb) +
-                      a_r * duarray_i(j - 1,mb,ma,k) -
-                      a_i * duarray_r(j - 1,mb,ma,k));
+          dulist_r(jju_index,k) +=
+            rootpq * (da_r[k] * ulist_r[jjup_index] +
+                      da_i[k] * ulist_i[jjup_index] +
+                      a_r * dulist_r(jjup_index,k) +
+                      a_i * dulist_i(jjup_index,k));
+          dulist_i(jju_index,k) +=
+            rootpq * (da_r[k] * ulist_i[jjup_index] -
+                      da_i[k] * ulist_r[jjup_index] +
+                      a_r * dulist_i(jjup_index,k) -
+                      a_i * dulist_r(jjup_index,k));
         }
 
         rootpq = rootpqarray(ma + 1,j - mb);
-        uarray_r(j,ma + 1,mb) =
-          -rootpq * (b_r *  uarray_r(j - 1,ma,mb) +
-                     b_i *  uarray_i(j - 1,ma,mb));
-        uarray_i(j,ma + 1,mb) =
-          -rootpq * (b_r *  uarray_i(j - 1,ma,mb) -
-                     b_i *  uarray_r(j - 1,ma,mb));
-
         for (int k = 0; k < 3; k++) {
-          duarray_r(j,mb,ma + 1,k) =
-            -rootpq * (db_r[k] * uarray_r(j - 1,ma,mb) +
-                       db_i[k] * uarray_i(j - 1,ma,mb) +
-                       b_r * duarray_r(j - 1,mb,ma,k) +
-                       b_i * duarray_i(j - 1,mb,ma,k));
-          duarray_i(j,mb,ma + 1,k) =
-            -rootpq * (db_r[k] * uarray_i(j - 1,ma,mb) -
-                       db_i[k] * uarray_r(j - 1,ma,mb) +
-                       b_r * duarray_i(j - 1,mb,ma,k) -
-                       b_i * duarray_r(j - 1,mb,ma,k));
+          dulist_r(jju_index+1,k) =
+            -rootpq * (db_r[k] * ulist_r[jjup_index] +
+                       db_i[k] * ulist_i[jjup_index] +
+                       b_r * dulist_r(jjup_index,k) +
+                       b_i * dulist_i(jjup_index,k));
+          dulist_i(jju_index+1,k) =
+            -rootpq * (db_r[k] * ulist_i[jjup_index] -
+                       db_i[k] * ulist_r[jjup_index] +
+                       b_r * dulist_i(jjup_index,k) -
+                       b_i * dulist_r(jjup_index,k));
         }
       }
     });
 
-    //int mbpar = -1;
+    // copy left side to right side with inversion symmetry VMK 4.4(2)
+    // u[ma-j][mb-j] = (-1)^(ma-mb)*Conj([u[ma][mb])
+
+    jju = idxu_block[j];
+    jjup = jju+(j+1)*(j+1)-1;
     Kokkos::parallel_for(Kokkos::ThreadVectorRange(team,(j+2)/2),
         [&] (const int& mb) {
 //    for (int mb = 0; 2*mb <= j; mb++) {
       int mbpar = (mb)%2==0?1:-1;
-      int mapar = -mbpar;
+      int mapar = mbpar;
       for (int ma = 0; ma <= j; ma++) {
-        mapar = -mapar;
+        const int jju_index = jju+mb*(j+1)+ma;
+        const int jjup_index = jjup-mb*(j+1)-ma;
         if (mapar == 1) {
-          uarray_r(j,j-ma,j-mb) = uarray_r(j,ma,mb);
-          uarray_i(j,j-ma,j-mb) = -uarray_i(j,ma,mb);
           for (int k = 0; k < 3; k++) {
-            duarray_r(j,j-mb,j-ma,k) = duarray_r(j,mb,ma,k);
-            duarray_i(j,j-mb,j-ma,k) = -duarray_i(j,mb,ma,k);
+            dulist_r(jjup_index,k) = dulist_r(jju_index,k);
+            dulist_i(jjup_index,k) = -dulist_i(jju_index,k);
           }
         } else {
-          uarray_r(j,j-ma,j-mb) = -uarray_r(j,ma,mb);
-          uarray_i(j,j-ma,j-mb) = uarray_i(j,ma,mb);
           for (int k = 0; k < 3; k++) {
-            duarray_r(j,j-mb,j-ma,k) = -duarray_r(j,mb,ma,k);
-            duarray_i(j,j-mb,j-ma,k) = duarray_i(j,mb,ma,k);
+            dulist_r(jjup_index,k) = -dulist_r(jju_index,k);
+            dulist_i(jjup_index,k) = dulist_i(jju_index,k);
           }
         }
+        mapar = -mapar;
       }
     });
   }
@@ -1012,22 +1106,26 @@ void SNAKokkos<DeviceType>::compute_duarray(const typename Kokkos::TeamPolicy<De
   sfac *= wj;
   dsfac *= wj;
 
-  for (int j = 0; j <= twojmax; j++)
-    for (int mb = 0; mb <= j; mb++)
+  for (int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    for (int mb = 0; 2*mb <= j; mb++)
       for (int ma = 0; ma <= j; ma++) {
-        duarray_r(j,mb,ma,0) = dsfac * uarray_r(j,ma,mb) * ux +
-                                  sfac * duarray_r(j,mb,ma,0);
-        duarray_i(j,mb,ma,0) = dsfac * uarray_i(j,ma,mb) * ux +
-                                  sfac * duarray_i(j,mb,ma,0);
-        duarray_r(j,mb,ma,1) = dsfac * uarray_r(j,ma,mb) * uy +
-                                  sfac * duarray_r(j,mb,ma,1);
-        duarray_i(j,mb,ma,1) = dsfac * uarray_i(j,ma,mb) * uy +
-                                  sfac * duarray_i(j,mb,ma,1);
-        duarray_r(j,mb,ma,2) = dsfac * uarray_r(j,ma,mb) * uz +
-                                  sfac * duarray_r(j,mb,ma,2);
-        duarray_i(j,mb,ma,2) = dsfac * uarray_i(j,ma,mb) * uz +
-                                  sfac * duarray_i(j,mb,ma,2);
+        dulist_r(jju,0) = dsfac * ulist_r[jju] * ux +
+                                  sfac * dulist_r(jju,0);
+        dulist_i(jju,0) = dsfac * ulist_i[jju] * ux +
+                                  sfac * dulist_i(jju,0);
+        dulist_r(jju,1) = dsfac * ulist_r[jju] * uy +
+                                  sfac * dulist_r(jju,1);
+        dulist_i(jju,1) = dsfac * ulist_i[jju] * uy +
+                                  sfac * dulist_i(jju,1);
+        dulist_r(jju,2) = dsfac * ulist_r[jju] * uz +
+                                  sfac * dulist_r(jju,2);
+        dulist_i(jju,2) = dsfac * ulist_i[jju] * uz +
+                                  sfac * dulist_i(jju,2);
+
+        jju++;
       }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1036,38 +1134,37 @@ template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::create_team_scratch_arrays(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
 {
-  int jdim = twojmax + 1;
-  uarraytot_r_a = uarraytot_r = t_sna_3d(team.team_scratch(1),jdim,jdim,jdim);
-  uarraytot_i_a = uarraytot_i = t_sna_3d(team.team_scratch(1),jdim,jdim,jdim);
-  zarray_r = t_sna_5d(team.team_scratch(1),jdim,jdim,jdim,jdim,jdim);
-  zarray_i = t_sna_5d(team.team_scratch(1),jdim,jdim,jdim,jdim,jdim);
-  bvec = Kokkos::View<double*, Kokkos::LayoutRight, DeviceType>(team.team_scratch(1),ncoeff);
-  barray = t_sna_3d(team.team_scratch(1),jdim,jdim,jdim);
+  ulisttot_r_a = ulisttot_r = t_sna_1d(team.team_scratch(1),idxu_max);
+  ulisttot_i_a = ulisttot_i = t_sna_1d(team.team_scratch(1),idxu_max);
+  ylist_r = t_sna_1d(team.team_scratch(1),idxu_max);
+  ylist_i = t_sna_1d(team.team_scratch(1),idxu_max);
+  zlist_r = t_sna_1d(team.team_scratch(1),idxz_max);
+  zlist_i = t_sna_1d(team.team_scratch(1),idxz_max);
+  blist = t_sna_1d(team.team_scratch(1),idxb_max);
 
   rij = t_sna_2d(team.team_scratch(1),nmax,3);
   rcutij = t_sna_1d(team.team_scratch(1),nmax);
   wj = t_sna_1d(team.team_scratch(1),nmax);
   inside = t_sna_1i(team.team_scratch(1),nmax);
+  ulist_r_ij = t_sna_2d(team.team_scratch(1),nmax,idxu_max);
+  ulist_i_ij = t_sna_2d(team.team_scratch(1),nmax,idxu_max);
 }
 
-
 template<class DeviceType>
 inline
 T_INT SNAKokkos<DeviceType>::size_team_scratch_arrays() {
   T_INT size = 0;
-  int jdim = twojmax + 1;
 
-  size += t_sna_3d::shmem_size(jdim,jdim,jdim); // uarraytot_r_a
-  size += t_sna_3d::shmem_size(jdim,jdim,jdim); // uarraytot_i_a
-  size += t_sna_5d::shmem_size(jdim,jdim,jdim,jdim,jdim); // zarray_r
-  size += t_sna_5d::shmem_size(jdim,jdim,jdim,jdim,jdim); // zarray_i
-  size += Kokkos::View<double*, Kokkos::LayoutRight, DeviceType>::shmem_size(ncoeff); // bvec
-  size += t_sna_3d::shmem_size(jdim,jdim,jdim); // barray
+  size += t_sna_1d::shmem_size(idxu_max)*2; // ulisttot
+  size += t_sna_1d::shmem_size(idxu_max)*2; // ylist
+  size += t_sna_1d::shmem_size(idxz_max)*2; // zlist
+  size += t_sna_1d::shmem_size(idxb_max); // blist
 
   size += t_sna_2d::shmem_size(nmax,3); // rij
   size += t_sna_1d::shmem_size(nmax); // rcutij
   size += t_sna_1d::shmem_size(nmax); // wj
   size += t_sna_1i::shmem_size(nmax); // inside
+  size += t_sna_2d::shmem_size(nmax,idxu_max)*2; // ulist_ij
 
   return size;
 }
@@ -1078,53 +1175,223 @@ template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void SNAKokkos<DeviceType>::create_thread_scratch_arrays(const typename Kokkos::TeamPolicy<DeviceType>::member_type& team)
 {
-  int jdim = twojmax + 1;
-
-  dbvec = Kokkos::View<double*[3], Kokkos::LayoutRight, DeviceType>(team.thread_scratch(1),ncoeff);
-  dbarray = t_sna_4d(team.thread_scratch(1),jdim,jdim,jdim);
-
-  uarray_r = t_sna_3d(team.thread_scratch(1),jdim,jdim,jdim);
-  uarray_i = t_sna_3d(team.thread_scratch(1),jdim,jdim,jdim);
-  duarray_r = t_sna_4d(team.thread_scratch(1),jdim,jdim,jdim);
-  duarray_i = t_sna_4d(team.thread_scratch(1),jdim,jdim,jdim);
+  dblist = t_sna_2d(team.thread_scratch(1),idxb_max,3);
+  ulist_r = t_sna_1d(team.thread_scratch(1),idxu_max);
+  ulist_i = t_sna_1d(team.thread_scratch(1),idxu_max);
+  dulist_r = t_sna_2d(team.thread_scratch(1),idxu_max,3);
+  dulist_i = t_sna_2d(team.thread_scratch(1),idxu_max,3);
 }
 
 template<class DeviceType>
 inline
 T_INT SNAKokkos<DeviceType>::size_thread_scratch_arrays() {
   T_INT size = 0;
-  int jdim = twojmax + 1;
-
-  size += Kokkos::View<double*[3], Kokkos::LayoutRight, DeviceType>::shmem_size(ncoeff); // dbvec
-  size += t_sna_4d::shmem_size(jdim,jdim,jdim); // dbarray
 
-  size += t_sna_3d::shmem_size(jdim,jdim,jdim); // uarray_r
-  size += t_sna_3d::shmem_size(jdim,jdim,jdim); // uarray_i
-  size += t_sna_4d::shmem_size(jdim,jdim,jdim); // duarray_r
-  size += t_sna_4d::shmem_size(jdim,jdim,jdim); // duarray_i
+  size += t_sna_2d::shmem_size(idxb_max,3); // dblist
+  size += t_sna_1d::shmem_size(idxu_max)*2; // ulist
+  size += t_sna_2d::shmem_size(idxu_max,3)*2; // dulist
   return size;
 }
 
 /* ----------------------------------------------------------------------
-   factorial n
+   factorial n, wrapper for precomputed table
 ------------------------------------------------------------------------- */
 
 template<class DeviceType>
-KOKKOS_INLINE_FUNCTION
+inline
 double SNAKokkos<DeviceType>::factorial(int n)
 {
-  double result = 1.0;
-  for(int i=1; i<=n; i++)
-    result *= 1.0*i;
-  return result;
+  //if (n < 0 || n > nmaxfactorial) {
+  //  char str[128];
+  //  sprintf(str, "Invalid argument to factorial %d", n);
+  //  error->all(FLERR, str);
+  //}
+
+  return nfac_table[n];
 }
 
+/* ----------------------------------------------------------------------
+   factorial n table, size SNA::nmaxfactorial+1
+------------------------------------------------------------------------- */
+
+template<class DeviceType>
+const double SNAKokkos<DeviceType>::nfac_table[] = {
+  1,
+  1,
+  2,
+  6,
+  24,
+  120,
+  720,
+  5040,
+  40320,
+  362880,
+  3628800,
+  39916800,
+  479001600,
+  6227020800,
+  87178291200,
+  1307674368000,
+  20922789888000,
+  355687428096000,
+  6.402373705728e+15,
+  1.21645100408832e+17,
+  2.43290200817664e+18,
+  5.10909421717094e+19,
+  1.12400072777761e+21,
+  2.5852016738885e+22,
+  6.20448401733239e+23,
+  1.5511210043331e+25,
+  4.03291461126606e+26,
+  1.08888694504184e+28,
+  3.04888344611714e+29,
+  8.8417619937397e+30,
+  2.65252859812191e+32,
+  8.22283865417792e+33,
+  2.63130836933694e+35,
+  8.68331761881189e+36,
+  2.95232799039604e+38,
+  1.03331479663861e+40,
+  3.71993326789901e+41,
+  1.37637530912263e+43,
+  5.23022617466601e+44,
+  2.03978820811974e+46,
+  8.15915283247898e+47,
+  3.34525266131638e+49,
+  1.40500611775288e+51,
+  6.04152630633738e+52,
+  2.65827157478845e+54,
+  1.1962222086548e+56,
+  5.50262215981209e+57,
+  2.58623241511168e+59,
+  1.24139155925361e+61,
+  6.08281864034268e+62,
+  3.04140932017134e+64,
+  1.55111875328738e+66,
+  8.06581751709439e+67,
+  4.27488328406003e+69,
+  2.30843697339241e+71,
+  1.26964033536583e+73,
+  7.10998587804863e+74,
+  4.05269195048772e+76,
+  2.35056133128288e+78,
+  1.3868311854569e+80,
+  8.32098711274139e+81,
+  5.07580213877225e+83,
+  3.14699732603879e+85,
+  1.98260831540444e+87,
+  1.26886932185884e+89,
+  8.24765059208247e+90,
+  5.44344939077443e+92,
+  3.64711109181887e+94,
+  2.48003554243683e+96,
+  1.71122452428141e+98,
+  1.19785716699699e+100,
+  8.50478588567862e+101,
+  6.12344583768861e+103,
+  4.47011546151268e+105,
+  3.30788544151939e+107,
+  2.48091408113954e+109,
+  1.88549470166605e+111,
+  1.45183092028286e+113,
+  1.13242811782063e+115,
+  8.94618213078297e+116,
+  7.15694570462638e+118,
+  5.79712602074737e+120,
+  4.75364333701284e+122,
+  3.94552396972066e+124,
+  3.31424013456535e+126,
+  2.81710411438055e+128,
+  2.42270953836727e+130,
+  2.10775729837953e+132,
+  1.85482642257398e+134,
+  1.65079551609085e+136,
+  1.48571596448176e+138,
+  1.3520015276784e+140,
+  1.24384140546413e+142,
+  1.15677250708164e+144,
+  1.08736615665674e+146,
+  1.03299784882391e+148,
+  9.91677934870949e+149,
+  9.61927596824821e+151,
+  9.42689044888324e+153,
+  9.33262154439441e+155,
+  9.33262154439441e+157,
+  9.42594775983835e+159,
+  9.61446671503512e+161,
+  9.90290071648618e+163,
+  1.02990167451456e+166,
+  1.08139675824029e+168,
+  1.14628056373471e+170,
+  1.22652020319614e+172,
+  1.32464181945183e+174,
+  1.44385958320249e+176,
+  1.58824554152274e+178,
+  1.76295255109024e+180,
+  1.97450685722107e+182,
+  2.23119274865981e+184,
+  2.54355973347219e+186,
+  2.92509369349301e+188,
+  3.3931086844519e+190,
+  3.96993716080872e+192,
+  4.68452584975429e+194,
+  5.5745857612076e+196,
+  6.68950291344912e+198,
+  8.09429852527344e+200,
+  9.8750442008336e+202,
+  1.21463043670253e+205,
+  1.50614174151114e+207,
+  1.88267717688893e+209,
+  2.37217324288005e+211,
+  3.01266001845766e+213,
+  3.8562048236258e+215,
+  4.97450422247729e+217,
+  6.46685548922047e+219,
+  8.47158069087882e+221,
+  1.118248651196e+224,
+  1.48727070609069e+226,
+  1.99294274616152e+228,
+  2.69047270731805e+230,
+  3.65904288195255e+232,
+  5.01288874827499e+234,
+  6.91778647261949e+236,
+  9.61572319694109e+238,
+  1.34620124757175e+241,
+  1.89814375907617e+243,
+  2.69536413788816e+245,
+  3.85437071718007e+247,
+  5.5502938327393e+249,
+  8.04792605747199e+251,
+  1.17499720439091e+254,
+  1.72724589045464e+256,
+  2.55632391787286e+258,
+  3.80892263763057e+260,
+  5.71338395644585e+262,
+  8.62720977423323e+264,
+  1.31133588568345e+267,
+  2.00634390509568e+269,
+  3.08976961384735e+271,
+  4.78914290146339e+273,
+  7.47106292628289e+275,
+  1.17295687942641e+278,
+  1.85327186949373e+280,
+  2.94670227249504e+282,
+  4.71472363599206e+284,
+  7.59070505394721e+286,
+  1.22969421873945e+289,
+  2.0044015765453e+291,
+  3.28721858553429e+293,
+  5.42391066613159e+295,
+  9.00369170577843e+297,
+  1.503616514865e+300, // nmaxfactorial = 167
+};
+
 /* ----------------------------------------------------------------------
    the function delta given by VMK Eq. 8.2(1)
 ------------------------------------------------------------------------- */
 
 template<class DeviceType>
-KOKKOS_INLINE_FUNCTION
+inline
 double SNAKokkos<DeviceType>::deltacg(int j1, int j2, int j)
 {
   double sfaccg = factorial((j1 + j2 + j) / 2 + 1);
@@ -1142,33 +1409,39 @@ template<class DeviceType>
 inline
 void SNAKokkos<DeviceType>::init_clebsch_gordan()
 {
+  auto h_cglist = Kokkos::create_mirror_view(cglist);
+
   double sum,dcg,sfaccg;
   int m, aa2, bb2, cc2;
   int ifac;
-  auto h_cgarray = Kokkos::create_mirror_view(cgarray);
 
-  for (int j1 = 0; j1 <= twojmax; j1++)
-    for (int j2 = 0; j2 <= twojmax; j2++)
-      for (int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2)
-        for (int m1 = 0; m1 <= j1; m1 += 1) {
+  int idxcg_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        for (int m1 = 0; m1 <= j1; m1++) {
           aa2 = 2 * m1 - j1;
 
-          for (int m2 = 0; m2 <= j2; m2 += 1) {
+          for (int m2 = 0; m2 <= j2; m2++) {
 
             // -c <= cc <= c
 
             bb2 = 2 * m2 - j2;
             m = (aa2 + bb2 + j) / 2;
 
-            if(m < 0 || m > j) continue;
+            if(m < 0 || m > j) {
+              h_cglist[idxcg_count] = 0.0;
+              idxcg_count++;
+              continue;
+            }
 
             sum = 0.0;
 
             for (int z = MAX(0, MAX(-(j - j2 + aa2)
-                                   / 2, -(j - j1 - bb2) / 2));
-                z <= MIN((j1 + j2 - j) / 2,
-                         MIN((j1 - aa2) / 2, (j2 + bb2) / 2));
-                z++) {
+                                    / 2, -(j - j1 - bb2) / 2));
+                 z <= MIN((j1 + j2 - j) / 2,
+                          MIN((j1 - aa2) / 2, (j2 + bb2) / 2));
+                 z++) {
               ifac = z % 2 ? -1 : 1;
               sum += ifac /
                 (factorial(z) *
@@ -1182,18 +1455,19 @@ void SNAKokkos<DeviceType>::init_clebsch_gordan()
             cc2 = 2 * m - j;
             dcg = deltacg(j1, j2, j);
             sfaccg = sqrt(factorial((j1 + aa2) / 2) *
-                        factorial((j1 - aa2) / 2) *
-                        factorial((j2 + bb2) / 2) *
-                        factorial((j2 - bb2) / 2) *
-                        factorial((j  + cc2) / 2) *
-                        factorial((j  - cc2) / 2) *
-                        (j + 1));
-
-            h_cgarray(j1,j2,j,m1,m2) = sum * dcg * sfaccg;
-            //printf("SNAP-COMPARE: CG: %i %i %i %i %i %e\n",j1,j2,j,m1,m2,cgarray(j1,j2,j,m1,m2));
+                          factorial((j1 - aa2) / 2) *
+                          factorial((j2 + bb2) / 2) *
+                          factorial((j2 - bb2) / 2) *
+                          factorial((j  + cc2) / 2) *
+                          factorial((j  - cc2) / 2) *
+                          (j + 1));
+            
+            h_cglist[idxcg_count] = sum * dcg * sfaccg;
+            idxcg_count++;
           }
         }
-  Kokkos::deep_copy(cgarray,h_cgarray);
+      }
+  Kokkos::deep_copy(cglist,h_cglist);
 }
 
 /* ----------------------------------------------------------------------
@@ -1214,6 +1488,7 @@ void SNAKokkos<DeviceType>::init_rootpqarray()
 
 
 /* ---------------------------------------------------------------------- */
+
 template<class DeviceType>
 inline
 int SNAKokkos<DeviceType>::compute_ncoeff()
@@ -1223,25 +1498,10 @@ int SNAKokkos<DeviceType>::compute_ncoeff()
   ncount = 0;
 
   for (int j1 = 0; j1 <= twojmax; j1++)
-    if(diagonalstyle == 0) {
-      for (int j2 = 0; j2 <= j1; j2++)
-        for (int j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          ncount++;
-    } else if(diagonalstyle == 1) {
-      int j2 = j1;
-
-      for (int j = abs(j1 - j2);
-          j <= MIN(twojmax, j1 + j2); j += 2)
-        ncount++;
-    } else if(diagonalstyle == 2) {
-      ncount++;
-    } else if(diagonalstyle == 3) {
-      for (int j2 = 0; j2 <= j1; j2++)
-        for (int j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) ncount++;
-    }
+    for (int j2 = 0; j2 <= j1; j2++)
+      for (int j = j1 - j2;
+           j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) ncount++;
 
   return ncount;
 }
@@ -1289,14 +1549,41 @@ double SNAKokkos<DeviceType>::compute_dsfac(double r, double rcut)
 template<class DeviceType>
 double SNAKokkos<DeviceType>::memory_usage()
 {
+  int jdimpq = twojmax + 2;
   int jdim = twojmax + 1;
   double bytes;
-  bytes = jdim * jdim * jdim * jdim * jdim * sizeof(double);
-  bytes += 2 * jdim * jdim * jdim * sizeof(std::complex<double>);
-  bytes += 2 * jdim * jdim * jdim * sizeof(double);
-  bytes += jdim * jdim * jdim * 3 * sizeof(std::complex<double>);
-  bytes += jdim * jdim * jdim * 3 * sizeof(double);
-  bytes += ncoeff * sizeof(double);
-  bytes += jdim * jdim * jdim * jdim * jdim * sizeof(std::complex<double>);
+
+  bytes = 0;
+
+  bytes += jdimpq*jdimpq * sizeof(double);               // pqarray
+  bytes += idxcg_max * sizeof(double);                   // cglist
+
+  bytes += idxu_max * sizeof(double) * 2;                // ulist
+  bytes += idxu_max * sizeof(double) * 2;                // ulisttot
+  bytes += idxu_max * 3 * sizeof(double) * 2;            // dulist
+
+  bytes += idxz_max * sizeof(double) * 2;                // zlist
+  bytes += idxb_max * sizeof(double);                    // blist
+  bytes += idxb_max * 3 * sizeof(double);                // dblist
+  bytes += idxu_max * sizeof(double) * 2;                // ylist
+
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxcg_block
+  bytes += jdim * sizeof(int);                           // idxu_block
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxz_block
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxb_block
+
+  bytes += idxz_max * sizeof(SNAKK_ZINDICES);            // idxz
+  bytes += idxb_max * sizeof(SNAKK_BINDICES);            // idxb
+
+  bytes += jdim * sizeof(double);                        // bzero
+
+  bytes += nmax * 3 * sizeof(double);                    // rij
+  bytes += nmax * sizeof(int);                           // inside
+  bytes += nmax * sizeof(double);                        // wj
+  bytes += nmax * sizeof(double);                        // rcutij
+  bytes += nmax * idxu_max * sizeof(double) * 2;         // ulist_ij
+
   return bytes;
 }
+
+} // namespace LAMMPS_NS
diff --git a/src/KOKKOS/verlet_kokkos.cpp b/src/KOKKOS/verlet_kokkos.cpp
index d75a7e491f4d3537f9d8c5f173cb13123f67aba5..b80d5e0646d02bf3f47581c5d95cf0780b109668 100644
--- a/src/KOKKOS/verlet_kokkos.cpp
+++ b/src/KOKKOS/verlet_kokkos.cpp
@@ -93,7 +93,6 @@ void VerletKokkos::setup(int flag)
   }
 
   update->setupflag = 1;
-  lmp->kokkos->auto_sync = 0;
 
   // setup domain, communication and neighboring
   // acquire ghosts
@@ -187,6 +186,7 @@ void VerletKokkos::setup(int flag)
   }
   if (force->newton) comm->reverse_comm();
 
+  lmp->kokkos->auto_sync = 0;
   modify->setup(vflag);
   output->setup(flag);
   lmp->kokkos->auto_sync = 1;
@@ -202,7 +202,6 @@ void VerletKokkos::setup(int flag)
 void VerletKokkos::setup_minimal(int flag)
 {
   update->setupflag = 1;
-  lmp->kokkos->auto_sync = 0;
 
   // setup domain, communication and neighboring
   // acquire ghosts
@@ -294,7 +293,6 @@ void VerletKokkos::setup_minimal(int flag)
   if (force->newton) comm->reverse_comm();
 
   modify->setup(vflag);
-  lmp->kokkos->auto_sync = 1;
   update->setupflag = 0;
 }
 
diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index 283c672bad90a6ea892cbb790e4ff6c2738c4c81..ccbb3ed7087e95195fd49725c7ed2c8dab15266c 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -365,9 +365,7 @@ void Ewald::compute(int eflag, int vflag)
 
   // set energy/virial flags
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // if atom count has changed, update qsum and qsqsum
 
diff --git a/src/KSPACE/ewald_dipole.cpp b/src/KSPACE/ewald_dipole.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..89ef7e39a877df2777608cd7d07955421e423c46
--- /dev/null
+++ b/src/KSPACE/ewald_dipole.cpp
@@ -0,0 +1,920 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL), Stan Moore (SNL)
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cstdlib>
+#include <cstdio>
+#include <cstring>
+#include <cmath>
+#include "ewald_dipole.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "pair.h"
+#include "domain.h"
+#include "math_const.h"
+#include "math_special.h"
+#include "memory.h"
+#include "error.h"
+#include "update.h"
+
+#include "math_const.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace MathSpecial;
+
+#define SMALL 0.00001
+
+/* ---------------------------------------------------------------------- */
+
+EwaldDipole::EwaldDipole(LAMMPS *lmp) : Ewald(lmp),
+  tk(NULL), vc(NULL)
+{
+  ewaldflag = dipoleflag = 1;
+  group_group_enable = 0;
+  tk = NULL;
+  vc = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   free all memory
+------------------------------------------------------------------------- */
+
+EwaldDipole::~EwaldDipole()
+{
+  memory->destroy(tk);
+  memory->destroy(vc);
+}
+
+/* ----------------------------------------------------------------------
+   called once before run
+------------------------------------------------------------------------- */
+
+void EwaldDipole::init()
+{
+  if (comm->me == 0) {
+    if (screen) fprintf(screen,"EwaldDipole initialization ...\n");
+    if (logfile) fprintf(logfile,"EwaldDipole initialization ...\n");
+  }
+
+  // error check
+  
+  dipoleflag = atom->mu?1:0;
+  qsum_qsq(0); // q[i] might not be declared ?
+
+  if (dipoleflag && q2)
+    error->all(FLERR,"Cannot (yet) use charges with Kspace style EwaldDipole");
+
+  triclinic_check();
+  
+  // no triclinic ewald dipole (yet)
+  
+  triclinic = domain->triclinic;
+  if (triclinic)
+    error->all(FLERR,"Cannot (yet) use EwaldDipole with triclinic box");
+  
+  if (domain->dimension == 2)
+    error->all(FLERR,"Cannot use EwaldDipole with 2d simulation");
+
+  if (!atom->mu) error->all(FLERR,"Kspace style requires atom attribute mu");
+
+  if (dipoleflag && strcmp(update->unit_style,"electron") == 0)
+    error->all(FLERR,"Cannot (yet) use 'electron' units with dipoles");
+  
+  if (slabflag == 0 && domain->nonperiodic > 0)
+    error->all(FLERR,"Cannot use nonperiodic boundaries with EwaldDipole");
+  if (slabflag) {
+    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
+        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
+      error->all(FLERR,"Incorrect boundaries with slab EwaldDipole");
+  }
+
+  // extract short-range Coulombic cutoff from pair style
+
+  triclinic = domain->triclinic;
+  if (triclinic)
+    error->all(FLERR,"Cannot yet use triclinic cells with EwaldDipole");
+
+  pair_check();
+
+  int itmp;
+  double *p_cutoff = (double *) force->pair->extract("cut_coul",itmp);
+  if (p_cutoff == NULL)
+    error->all(FLERR,"KSpace style is incompatible with Pair style");
+  double cutoff = *p_cutoff;
+
+  // kspace TIP4P not yet supported
+  // qdist = offset only for TIP4P fictitious charge
+
+  //qdist = 0.0;
+  if (tip4pflag)
+    error->all(FLERR,"Cannot yet use TIP4P with EwaldDipole");
+
+  // compute musum & musqsum and warn if no dipole
+
+  scale = 1.0;
+  qqrd2e = force->qqrd2e;
+  musum_musq();
+  natoms_original = atom->natoms;
+
+  // set accuracy (force units) from accuracy_relative or accuracy_absolute
+
+  if (accuracy_absolute >= 0.0) accuracy = accuracy_absolute;
+  else accuracy = accuracy_relative * two_charge_force;
+
+  // setup K-space resolution
+
+  bigint natoms = atom->natoms;
+
+  // use xprd,yprd,zprd even if triclinic so grid size is the same
+  // adjust z dimension for 2d slab EwaldDipole
+  // 3d EwaldDipole just uses zprd since slab_volfactor = 1.0
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  double zprd_slab = zprd*slab_volfactor;
+
+  // make initial g_ewald estimate
+  // based on desired accuracy and real space cutoff
+  // fluid-occupied volume used to estimate real-space error
+  // zprd used rather than zprd_slab
+
+  if (!gewaldflag) {
+    if (accuracy <= 0.0)
+      error->all(FLERR,"KSpace accuracy must be > 0");
+    
+    // initial guess with old method
+    
+    g_ewald = accuracy*sqrt(natoms*cutoff*xprd*yprd*zprd) / (2.0*mu2);
+    if (g_ewald >= 1.0) g_ewald = (1.35 - 0.15*log(accuracy))/cutoff;
+    else g_ewald = sqrt(-log(g_ewald)) / cutoff;
+    
+    // try Newton solver
+
+    double g_ewald_new =
+      NewtonSolve(g_ewald,cutoff,natoms,xprd*yprd*zprd,mu2);
+    if (g_ewald_new > 0.0) g_ewald = g_ewald_new;
+    else error->warning(FLERR,"Ewald/disp Newton solver failed, "
+                        "using old method to estimate g_ewald");  
+  }
+
+  // setup EwaldDipole coefficients so can print stats
+
+  setup();
+
+  // final RMS accuracy
+
+  double lprx = rms(kxmax_orig,xprd,natoms,q2);
+  double lpry = rms(kymax_orig,yprd,natoms,q2);
+  double lprz = rms(kzmax_orig,zprd_slab,natoms,q2);
+  double lpr = sqrt(lprx*lprx + lpry*lpry + lprz*lprz) / sqrt(3.0);
+  double q2_over_sqrt = q2 / sqrt(natoms*cutoff*xprd*yprd*zprd_slab);
+  double spr = 2.0 *q2_over_sqrt * exp(-g_ewald*g_ewald*cutoff*cutoff);
+  double tpr = estimate_table_accuracy(q2_over_sqrt,spr);
+  double estimated_accuracy = sqrt(lpr*lpr + spr*spr + tpr*tpr);
+
+  // stats
+
+  if (comm->me == 0) {
+    if (screen) {
+      fprintf(screen,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(screen,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(screen,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(screen,"  KSpace vectors: actual max1d max3d = %d %d %d\n",
+              kcount,kmax,kmax3d);
+      fprintf(screen,"                  kxmax kymax kzmax  = %d %d %d\n",
+              kxmax,kymax,kzmax);
+    }
+    if (logfile) {
+      fprintf(logfile,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(logfile,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(logfile,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(logfile,"  KSpace vectors: actual max1d max3d = %d %d %d\n",
+              kcount,kmax,kmax3d);
+      fprintf(logfile,"                  kxmax kymax kzmax  = %d %d %d\n",
+              kxmax,kymax,kzmax);
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   adjust EwaldDipole coeffs, called initially and whenever volume has changed
+------------------------------------------------------------------------- */
+
+void EwaldDipole::setup()
+{
+  // volume-dependent factors
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+
+  // adjustment of z dimension for 2d slab EwaldDipole
+  // 3d EwaldDipole just uses zprd since slab_volfactor = 1.0
+
+  double zprd_slab = zprd*slab_volfactor;
+  volume = xprd * yprd * zprd_slab;
+
+  unitk[0] = 2.0*MY_PI/xprd;
+  unitk[1] = 2.0*MY_PI/yprd;
+  unitk[2] = 2.0*MY_PI/zprd_slab;
+
+  int kmax_old = kmax;
+
+  if (kewaldflag == 0) {
+
+    // determine kmax
+    // function of current box size, accuracy, G_ewald (short-range cutoff)
+
+    bigint natoms = atom->natoms;
+    double err;
+    kxmax = 1;
+    kymax = 1;
+    kzmax = 1;	
+
+    // set kmax in 3 directions to respect accuracy
+
+    err = rms_dipole(kxmax,xprd,natoms);
+    while (err > accuracy) {
+      kxmax++;
+      err = rms_dipole(kxmax,xprd,natoms);
+    }
+
+    err = rms_dipole(kymax,yprd,natoms);
+    while (err > accuracy) {
+      kymax++;
+      err = rms_dipole(kymax,yprd,natoms);
+    }
+
+    err = rms_dipole(kzmax,zprd,natoms);
+    while (err > accuracy) {
+      kzmax++;
+      err = rms_dipole(kzmax,zprd,natoms);
+    }
+
+    kmax = MAX(kxmax,kymax);
+    kmax = MAX(kmax,kzmax);
+    kmax3d = 4*kmax*kmax*kmax + 6*kmax*kmax + 3*kmax;
+
+    double gsqxmx = unitk[0]*unitk[0]*kxmax*kxmax;
+    double gsqymx = unitk[1]*unitk[1]*kymax*kymax;
+    double gsqzmx = unitk[2]*unitk[2]*kzmax*kzmax;
+    gsqmx = MAX(gsqxmx,gsqymx);
+    gsqmx = MAX(gsqmx,gsqzmx);
+
+    kxmax_orig = kxmax;
+    kymax_orig = kymax;
+    kzmax_orig = kzmax;
+
+  } else {
+
+    kxmax = kx_ewald;
+    kymax = ky_ewald;
+    kzmax = kz_ewald;
+
+    kxmax_orig = kxmax;
+    kymax_orig = kymax;
+    kzmax_orig = kzmax;
+
+    kmax = MAX(kxmax,kymax);
+    kmax = MAX(kmax,kzmax);
+    kmax3d = 4*kmax*kmax*kmax + 6*kmax*kmax + 3*kmax;
+
+    double gsqxmx = unitk[0]*unitk[0]*kxmax*kxmax;
+    double gsqymx = unitk[1]*unitk[1]*kymax*kymax;
+    double gsqzmx = unitk[2]*unitk[2]*kzmax*kzmax;
+    gsqmx = MAX(gsqxmx,gsqymx);
+    gsqmx = MAX(gsqmx,gsqzmx);
+  }
+
+  gsqmx *= 1.00001;
+
+  // if size has grown, reallocate k-dependent and nlocal-dependent arrays
+
+  if (kmax > kmax_old) {
+    deallocate();
+    allocate();
+    group_allocate_flag = 0;
+
+    memory->destroy(ek);
+    memory->destroy(tk);
+    memory->destroy(vc);
+    memory->destroy3d_offset(cs,-kmax_created);
+    memory->destroy3d_offset(sn,-kmax_created);
+    nmax = atom->nmax;
+    memory->create(ek,nmax,3,"ewald_dipole:ek");
+    memory->create(tk,nmax,3,"ewald_dipole:tk");
+    memory->create(vc,kmax3d,6,"ewald_dipole:tk");
+    memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald_dipole:cs");
+    memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald_dipole:sn");
+    kmax_created = kmax;
+  }
+
+  // pre-compute EwaldDipole coefficients
+
+  coeffs();
+}
+
+/* ----------------------------------------------------------------------
+   compute dipole RMS accuracy for a dimension
+------------------------------------------------------------------------- */
+
+double EwaldDipole::rms_dipole(int km, double prd, bigint natoms)
+{
+  if (natoms == 0) natoms = 1;   // avoid division by zero
+
+  // error from eq.(46), Wang et al., JCP 115, 6351 (2001)
+  
+  double value = 8*MY_PI*mu2*g_ewald/volume *
+    sqrt(2*MY_PI*km*km*km/(15.0*natoms)) *
+    exp(-MY_PI*MY_PI*km*km/(g_ewald*g_ewald*prd*prd));
+
+  return value;
+}
+
+/* ----------------------------------------------------------------------
+   compute the EwaldDipole long-range force, energy, virial
+------------------------------------------------------------------------- */
+
+void EwaldDipole::compute(int eflag, int vflag)
+{
+  int i,j,k;
+  const double g3 = g_ewald*g_ewald*g_ewald;
+
+  // set energy/virial flags
+
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = evflag_atom = eflag_global = vflag_global =
+         eflag_atom = vflag_atom = 0;
+
+  // if atom count has changed, update qsum and qsqsum
+
+  if (atom->natoms != natoms_original) {
+    musum_musq();
+    natoms_original = atom->natoms;
+  }
+
+  // return if there are no charges
+
+  if (musqsum == 0.0) return;
+
+  // extend size of per-atom arrays if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(ek);
+    memory->destroy(tk);
+    memory->destroy(vc);
+    memory->destroy3d_offset(cs,-kmax_created);
+    memory->destroy3d_offset(sn,-kmax_created);
+    nmax = atom->nmax;
+    memory->create(ek,nmax,3,"ewald_dipole:ek");
+    memory->create(tk,nmax,3,"ewald_dipole:tk");
+    memory->create(vc,kmax3d,6,"ewald_dipole:tk");
+    memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald_dipole:cs");
+    memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald_dipole:sn");
+    kmax_created = kmax;
+  }
+
+  // partial structure factors on each processor
+  // total structure factor by summing over procs
+
+  eik_dot_r();
+
+  MPI_Allreduce(sfacrl,sfacrl_all,kcount,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(sfacim,sfacim_all,kcount,MPI_DOUBLE,MPI_SUM,world);
+
+  // K-space portion of electric field
+  // double loop over K-vectors and local atoms
+  // perform per-atom calculations if needed
+
+  double **f = atom->f;
+  double **t = atom->torque;
+  double **mu = atom->mu;
+  int nlocal = atom->nlocal;
+
+  int kx,ky,kz;
+  double cypz,sypz,exprl,expim;
+  double partial,partial2,partial_peratom;
+  double vcik[6];
+  double mudotk;
+
+  for (i = 0; i < nlocal; i++) {
+    ek[i][0] = ek[i][1] = ek[i][2] = 0.0;
+    tk[i][0] = tk[i][1] = tk[i][2] = 0.0;
+  }
+
+  for (k = 0; k < kcount; k++) {
+    kx = kxvecs[k];
+    ky = kyvecs[k];
+    kz = kzvecs[k];
+    for (j = 0; j<6; j++) vc[k][j] = 0.0;
+
+    for (i = 0; i < nlocal; i++) {
+
+      for (j = 0; j<6; j++) vcik[j] = 0.0;
+      
+      // re-evaluating mu dot k
+      mudotk = mu[i][0]*kx*unitk[0] + mu[i][1]*ky*unitk[1] + mu[i][2]*kz*unitk[2];
+
+      // calculating  re and im of exp(i*k*ri)
+
+      cypz = cs[ky][1][i]*cs[kz][2][i] - sn[ky][1][i]*sn[kz][2][i];
+      sypz = sn[ky][1][i]*cs[kz][2][i] + cs[ky][1][i]*sn[kz][2][i];
+      exprl = cs[kx][0][i]*cypz - sn[kx][0][i]*sypz;
+      expim = sn[kx][0][i]*cypz + cs[kx][0][i]*sypz;
+
+      // taking im of struct_fact x exp(i*k*ri) (for force calc.)
+
+      partial = (mudotk)*(expim*sfacrl_all[k] - exprl*sfacim_all[k]);
+      ek[i][0] += partial * eg[k][0];
+      ek[i][1] += partial * eg[k][1];
+      ek[i][2] += partial * eg[k][2];
+
+      // compute field for torque calculation
+
+      partial_peratom = exprl*sfacrl_all[k] + expim*sfacim_all[k];
+      tk[i][0] += partial_peratom * eg[k][0];
+      tk[i][1] += partial_peratom * eg[k][1];
+      tk[i][2] += partial_peratom * eg[k][2];
+
+      // total and per-atom virial correction (dipole only)
+
+      vc[k][0] += vcik[0] = -(partial_peratom * mu[i][0] * eg[k][0]);
+      vc[k][1] += vcik[1] = -(partial_peratom * mu[i][1] * eg[k][1]);
+      vc[k][2] += vcik[2] = -(partial_peratom * mu[i][2] * eg[k][2]);
+      vc[k][3] += vcik[3] = -(partial_peratom * mu[i][0] * eg[k][1]);
+      vc[k][4] += vcik[4] = -(partial_peratom * mu[i][0] * eg[k][2]);
+      vc[k][5] += vcik[5] = -(partial_peratom * mu[i][1] * eg[k][2]);
+      
+      // taking re-part of struct_fact x exp(i*k*ri) 
+      // (for per-atom energy and virial calc.)
+
+      if (evflag_atom) {
+        if (eflag_atom) eatom[i] += mudotk*ug[k]*partial_peratom;
+        if (vflag_atom)
+          for (j = 0; j < 6; j++)
+	    vatom[i][j] += (ug[k]*mudotk*vg[k][j]*partial_peratom - vcik[j]);
+      }
+    }
+  }
+
+  // force and torque calculation
+
+  const double muscale = qqrd2e * scale;
+
+  for (i = 0; i < nlocal; i++) {
+    f[i][0] += muscale * ek[i][0];
+    f[i][1] += muscale * ek[i][1];
+    if (slabflag != 2) f[i][2] += muscale * ek[i][2];
+    t[i][0] -= muscale * (mu[i][1]*tk[i][2] - mu[i][2]*tk[i][1]);
+    t[i][1] -= muscale * (mu[i][2]*tk[i][0] - mu[i][0]*tk[i][2]);
+    if (slabflag != 2) t[i][2] -= muscale * (mu[i][0]*tk[i][1] - mu[i][1]*tk[i][0]);
+  }
+
+  // sum global energy across Kspace vevs and add in volume-dependent term
+  // taking the re-part of struct_fact_i x struct_fact_j
+  // substracting self energy and scaling
+
+  if (eflag_global) {
+    for (k = 0; k < kcount; k++) {
+      energy += ug[k] * (sfacrl_all[k]*sfacrl_all[k] +
+                         sfacim_all[k]*sfacim_all[k]);
+    }
+    energy -= musqsum*2.0*g3/3.0/MY_PIS;
+    energy *= muscale;
+  }
+
+  // global virial
+
+  if (vflag_global) {
+    double uk, vk;
+    for (k = 0; k < kcount; k++) {
+      uk = ug[k] * (sfacrl_all[k]*sfacrl_all[k] + sfacim_all[k]*sfacim_all[k]);
+      for (j = 0; j < 6; j++) virial[j] += uk*vg[k][j] - vc[k][j];
+    }
+    for (j = 0; j < 6; j++) virial[j] *= muscale;
+  }
+
+  // per-atom energy/virial
+  // energy includes self-energy correction
+
+  if (evflag_atom) {
+    if (eflag_atom) {
+      for (i = 0; i < nlocal; i++) {
+        eatom[i] -= (mu[i][0]*mu[i][0] + mu[i][1]*mu[i][1] + mu[i][2]*mu[i][2])
+	  *2.0*g3/3.0/MY_PIS;
+        eatom[i] *= muscale;
+      }
+    }
+
+    if (vflag_atom)
+      for (i = 0; i < nlocal; i++)
+        for (j = 0; j < 6; j++) vatom[i][j] *= muscale;
+  }
+
+  // 2d slab correction
+
+  if (slabflag == 1) slabcorr();
+}
+
+/* ----------------------------------------------------------------------
+   compute the struc. factors and mu dot k products
+------------------------------------------------------------------------- */
+
+void EwaldDipole::eik_dot_r()
+{
+  int i,k,l,m,n,ic;
+  double cstr1,sstr1,cstr2,sstr2,cstr3,sstr3,cstr4,sstr4;
+  double sqk,clpm,slpm;
+  double mux, muy, muz;
+  double mudotk;
+
+  double **x = atom->x;
+  double **mu = atom->mu;
+  int nlocal = atom->nlocal;
+
+  n = 0;
+  mux = muy = muz = 0.0;
+
+  // loop on different k-directions
+  // loop on n kpoints and nlocal atoms
+
+  // (k,0,0), (0,l,0), (0,0,m)
+  
+  // loop 1: k=1, l=1, m=1
+  // define first val. of cos and sin
+
+  for (ic = 0; ic < 3; ic++) {
+    sqk = unitk[ic]*unitk[ic];
+    if (sqk <= gsqmx) {
+      cstr1 = 0.0;
+      sstr1 = 0.0;
+      for (i = 0; i < nlocal; i++) {
+        cs[0][ic][i] = 1.0;
+        sn[0][ic][i] = 0.0;
+        cs[1][ic][i] = cos(unitk[ic]*x[i][ic]);
+        sn[1][ic][i] = sin(unitk[ic]*x[i][ic]);
+        cs[-1][ic][i] = cs[1][ic][i];
+        sn[-1][ic][i] = -sn[1][ic][i];
+        mudotk = (mu[i][ic]*unitk[ic]);
+        cstr1 += mudotk*cs[1][ic][i];
+        sstr1 += mudotk*sn[1][ic][i];
+      }
+      sfacrl[n] = cstr1;
+      sfacim[n++] = sstr1;
+    }
+  }
+
+  // loop 2: k>1, l>1, m>1
+
+  for (m = 2; m <= kmax; m++) {
+    for (ic = 0; ic < 3; ic++) {
+      sqk = m*unitk[ic] * m*unitk[ic];
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+          cs[m][ic][i] = cs[m-1][ic][i]*cs[1][ic][i] -
+            sn[m-1][ic][i]*sn[1][ic][i];
+          sn[m][ic][i] = sn[m-1][ic][i]*cs[1][ic][i] +
+            cs[m-1][ic][i]*sn[1][ic][i];
+          cs[-m][ic][i] = cs[m][ic][i];
+          sn[-m][ic][i] = -sn[m][ic][i];
+	  mudotk = (mu[i][ic]*m*unitk[ic]);
+          cstr1 += mudotk*cs[m][ic][i];
+          sstr1 += mudotk*sn[m][ic][i];
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+      }
+    }
+  }
+
+  // 1 = (k,l,0), 2 = (k,-l,0)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (l = 1; l <= kymax; l++) {
+      sqk = (k*unitk[0] * k*unitk[0]) + (l*unitk[1] * l*unitk[1]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+	  mux = mu[i][0];
+	  muy = mu[i][1];
+
+	  // dir 1: (k,l,0)
+	  mudotk = (mux*k*unitk[0] + muy*l*unitk[1]);
+          cstr1 += mudotk*(cs[k][0][i]*cs[l][1][i]-sn[k][0][i]*sn[l][1][i]);
+          sstr1 += mudotk*(sn[k][0][i]*cs[l][1][i]+cs[k][0][i]*sn[l][1][i]);
+	  
+	  // dir 2: (k,-l,0)
+	  mudotk = (mux*k*unitk[0] - muy*l*unitk[1]);
+          cstr2 += mudotk*(cs[k][0][i]*cs[l][1][i]+sn[k][0][i]*sn[l][1][i]);
+          sstr2 += mudotk*(sn[k][0][i]*cs[l][1][i]-cs[k][0][i]*sn[l][1][i]);
+	}
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (0,l,m), 2 = (0,l,-m)
+
+  for (l = 1; l <= kymax; l++) {
+    for (m = 1; m <= kzmax; m++) {
+      sqk = (l*unitk[1] * l*unitk[1]) + (m*unitk[2] * m*unitk[2]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+	  muy = mu[i][1];
+	  muz = mu[i][2];
+
+	  // dir 1: (0,l,m)
+      	  mudotk = (muy*l*unitk[1] + muz*m*unitk[2]); 
+          cstr1 += mudotk*(cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i]);
+          sstr1 += mudotk*(sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i]);
+	  
+	  // dir 2: (0,l,-m)
+	  mudotk = (muy*l*unitk[1] - muz*m*unitk[2]); 
+          cstr2 += mudotk*(cs[l][1][i]*cs[m][2][i]+sn[l][1][i]*sn[m][2][i]);
+          sstr2 += mudotk*(sn[l][1][i]*cs[m][2][i]-cs[l][1][i]*sn[m][2][i]);
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (k,0,m), 2 = (k,0,-m)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (m = 1; m <= kzmax; m++) {
+      sqk = (k*unitk[0] * k*unitk[0]) + (m*unitk[2] * m*unitk[2]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+      	  mux = mu[i][0];
+	  muz = mu[i][2];
+
+	  // dir 1: (k,0,m)
+	  mudotk = (mux*k*unitk[0] + muz*m*unitk[2]); 
+          cstr1 += mudotk*(cs[k][0][i]*cs[m][2][i]-sn[k][0][i]*sn[m][2][i]);
+          sstr1 += mudotk*(sn[k][0][i]*cs[m][2][i]+cs[k][0][i]*sn[m][2][i]);
+	  
+	  // dir 2: (k,0,-m)
+	  mudotk = (mux*k*unitk[0] - muz*m*unitk[2]); 
+          cstr2 += mudotk*(cs[k][0][i]*cs[m][2][i]+sn[k][0][i]*sn[m][2][i]);
+          sstr2 += mudotk*(sn[k][0][i]*cs[m][2][i]-cs[k][0][i]*sn[m][2][i]);
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (k,l,m), 2 = (k,-l,m), 3 = (k,l,-m), 4 = (k,-l,-m)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (l = 1; l <= kymax; l++) {
+      for (m = 1; m <= kzmax; m++) {
+        sqk = (k*unitk[0] * k*unitk[0]) + (l*unitk[1] * l*unitk[1]) +
+          (m*unitk[2] * m*unitk[2]);
+        if (sqk <= gsqmx) {
+          cstr1 = 0.0;
+          sstr1 = 0.0;
+          cstr2 = 0.0;
+          sstr2 = 0.0;
+          cstr3 = 0.0;
+          sstr3 = 0.0;
+          cstr4 = 0.0;
+          sstr4 = 0.0;
+          for (i = 0; i < nlocal; i++) {
+      	    mux = mu[i][0];
+	    muy = mu[i][1];
+	    muz = mu[i][2];
+
+	    // dir 1: (k,l,m)
+	    mudotk = (mux*k*unitk[0] + muy*l*unitk[1] + muz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i];
+            slpm = sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i];
+            cstr1 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr1 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 2: (k,-l,m)
+	    mudotk = (mux*k*unitk[0] - muy*l*unitk[1] + muz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] + sn[l][1][i]*sn[m][2][i];
+            slpm = -sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i];
+            cstr2 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr2 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 3: (k,l,-m)
+	    mudotk = (mux*k*unitk[0] + muy*l*unitk[1] - muz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] + sn[l][1][i]*sn[m][2][i];
+            slpm = sn[l][1][i]*cs[m][2][i] - cs[l][1][i]*sn[m][2][i];
+            cstr3 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr3 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 4: (k,-l,-m)
+	    mudotk = (mux*k*unitk[0] - muy*l*unitk[1] - muz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i];
+            slpm = -sn[l][1][i]*cs[m][2][i] - cs[l][1][i]*sn[m][2][i];
+            cstr4 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr4 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+          }
+          sfacrl[n] = cstr1;
+          sfacim[n++] = sstr1;
+          sfacrl[n] = cstr2;
+          sfacim[n++] = sstr2;
+          sfacrl[n] = cstr3;
+          sfacim[n++] = sstr3;
+          sfacrl[n] = cstr4;
+          sfacim[n++] = sstr4;
+        }
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   Slab-geometry correction term to dampen inter-slab interactions between
+   periodically repeating slabs.  Yields good approximation to 2D EwaldDipole if
+   adequate empty space is left between repeating slabs (J. Chem. Phys.
+   111, 3155).  Slabs defined here to be parallel to the xy plane. Also
+   extended to non-neutral systems (J. Chem. Phys. 131, 094107).
+------------------------------------------------------------------------- */
+
+void EwaldDipole::slabcorr()
+{
+  // compute local contribution to global dipole moment
+
+  double **x = atom->x;
+  double zprd = domain->zprd;
+  int nlocal = atom->nlocal;
+
+  double dipole = 0.0;
+  double **mu = atom->mu;
+  for (int i = 0; i < nlocal; i++) dipole += mu[i][2];
+
+  // sum local contributions to get global dipole moment
+
+  double dipole_all;
+  MPI_Allreduce(&dipole,&dipole_all,1,MPI_DOUBLE,MPI_SUM,world);
+
+  // need to make non-neutral systems and/or
+  //  per-atom energy translationally invariant
+
+  if (eflag_atom || fabs(qsum) > SMALL) {
+
+    error->all(FLERR,"Cannot (yet) use kspace slab correction with "
+      "long-range dipoles and non-neutral systems or per-atom energy");
+  }
+
+  // compute corrections
+
+  const double e_slabcorr = MY_2PI*(dipole_all*dipole_all/12.0)/volume;
+  const double qscale = qqrd2e * scale;
+
+  if (eflag_global) energy += qscale * e_slabcorr;
+
+  // per-atom energy
+
+  if (eflag_atom) {
+    double efact = qscale * MY_2PI/volume/12.0;
+    for (int i = 0; i < nlocal; i++)
+      eatom[i] += efact * mu[i][2]*dipole_all;
+  }
+
+  // add on torque corrections
+
+  if (atom->torque) {
+    double ffact = qscale * (-4.0*MY_PI/volume);
+    double **mu = atom->mu;
+    double **torque = atom->torque;
+    for (int i = 0; i < nlocal; i++) {
+      torque[i][0] += ffact * dipole_all * mu[i][1];
+      torque[i][1] += -ffact * dipole_all * mu[i][0];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute musum,musqsum,mu2
+   called initially, when particle count changes, when dipoles are changed
+------------------------------------------------------------------------- */
+
+void EwaldDipole::musum_musq()
+{
+  const int nlocal = atom->nlocal;
+
+  musum = musqsum = mu2 = 0.0;
+  if (atom->mu_flag) {
+    double** mu = atom->mu;
+    double musum_local(0.0), musqsum_local(0.0);
+
+    for (int i = 0; i < nlocal; i++) {
+      musum_local += mu[i][0] + mu[i][1] + mu[i][2];
+      musqsum_local += mu[i][0]*mu[i][0] + mu[i][1]*mu[i][1] + mu[i][2]*mu[i][2];
+    }
+
+    MPI_Allreduce(&musum_local,&musum,1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(&musqsum_local,&musqsum,1,MPI_DOUBLE,MPI_SUM,world);
+
+    mu2 = musqsum * force->qqrd2e;
+  }
+
+  if (mu2 == 0 && comm->me == 0)
+    error->all(FLERR,"Using kspace solver EwaldDipole on system with no dipoles");
+}
+
+/* ----------------------------------------------------------------------
+   Newton solver used to find g_ewald for LJ systems
+------------------------------------------------------------------------- */
+
+double EwaldDipole::NewtonSolve(double x, double Rc,
+                              bigint natoms, double vol, double b2)
+{
+  double dx,tol;
+  int maxit;
+
+  maxit = 10000; //Maximum number of iterations
+  tol = 0.00001; //Convergence tolerance
+
+  //Begin algorithm
+
+  for (int i = 0; i < maxit; i++) {
+    dx = f(x,Rc,natoms,vol,b2) / derivf(x,Rc,natoms,vol,b2);
+    x = x - dx; //Update x
+    if (fabs(dx) < tol) return x;
+    if (x < 0 || x != x) // solver failed
+      return -1;
+  }
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+ Calculate f(x)
+ ------------------------------------------------------------------------- */
+
+double EwaldDipole::f(double x, double Rc, bigint natoms, double vol, double b2)
+{
+  double a = Rc*x;
+  double f = 0.0;
+
+  double rg2 = a*a;
+  double rg4 = rg2*rg2;
+  double rg6 = rg4*rg2;
+  double Cc = 4.0*rg4 + 6.0*rg2 + 3.0;
+  double Dc = 8.0*rg6 + 20.0*rg4 + 30.0*rg2 + 15.0;
+  f = (b2/(sqrt(vol*powint(x,4)*powint(Rc,9)*natoms)) *
+    sqrt(13.0/6.0*Cc*Cc + 2.0/15.0*Dc*Dc - 13.0/15.0*Cc*Dc) *
+    exp(-rg2)) - accuracy;
+
+  return f;
+}
+
+/* ----------------------------------------------------------------------
+ Calculate numerical derivative f'(x)
+ ------------------------------------------------------------------------- */
+
+double EwaldDipole::derivf(double x, double Rc,
+                         bigint natoms, double vol, double b2)
+{
+  double h = 0.000001;  //Derivative step-size
+  return (f(x + h,Rc,natoms,vol,b2) - f(x,Rc,natoms,vol,b2)) / h;
+}
+
diff --git a/src/KSPACE/ewald_dipole.h b/src/KSPACE/ewald_dipole.h
new file mode 100644
index 0000000000000000000000000000000000000000..741756487b812d093251730efe3fcf36f29fcb65
--- /dev/null
+++ b/src/KSPACE/ewald_dipole.h
@@ -0,0 +1,104 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef KSPACE_CLASS
+
+KSpaceStyle(ewald/dipole,EwaldDipole)
+
+#else
+
+#ifndef LMP_EWALD_DIPOLE_H
+#define LMP_EWALD_DIPOLE_H
+
+#include "ewald.h"
+
+namespace LAMMPS_NS {
+
+class EwaldDipole : public Ewald {
+ public:
+  EwaldDipole(class LAMMPS *);
+  virtual ~EwaldDipole();
+  void init();
+  void setup();
+  virtual void compute(int, int);
+
+ protected:
+  double musum,musqsum,mu2;
+  double **tk;			// field for torque 
+  double **vc;			// virial per k
+
+  void musum_musq(); 
+  double rms_dipole(int, double, bigint);
+  virtual void eik_dot_r();
+  void slabcorr();
+  double NewtonSolve(double, double, bigint, double, double);
+  double f(double, double, bigint, double, double);
+  double derivf(double, double, bigint, double, double);
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Cannot use EwaldDipole with 2d simulation
+
+The kspace style ewald cannot be used in 2d simulations.  You can use
+2d EwaldDipole in a 3d simulation; see the kspace_modify command.
+
+E: Kspace style requires atom attribute q
+
+The atom style defined does not have these attributes.
+
+E: Cannot use nonperiodic boundaries with EwaldDipole
+
+For kspace style ewald, all 3 dimensions must have periodic boundaries
+unless you use the kspace_modify command to define a 2d slab with a
+non-periodic z dimension.
+
+E: Incorrect boundaries with slab EwaldDipole
+
+Must have periodic x,y dimensions and non-periodic z dimension to use
+2d slab option with EwaldDipole.
+
+E: Cannot (yet) use EwaldDipole with triclinic box and slab correction
+
+This feature is not yet supported.
+
+E: KSpace style is incompatible with Pair style
+
+Setting a kspace style requires that a pair style with matching
+long-range Coulombic or dispersion components be used.
+
+E: KSpace accuracy must be > 0
+
+The kspace accuracy designated in the input must be greater than zero.
+
+E: Must use 'kspace_modify gewald' for uncharged system
+
+UNDOCUMENTED
+
+E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems
+
+This option is not yet supported.
+
+*/
diff --git a/src/KSPACE/ewald_dipole_spin.cpp b/src/KSPACE/ewald_dipole_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..698203c85c047d1322641473d3b04ef08e7133ce
--- /dev/null
+++ b/src/KSPACE/ewald_dipole_spin.cpp
@@ -0,0 +1,857 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cstdlib>
+#include <cstdio>
+#include <cstring>
+#include <cmath>
+#include "ewald_dipole_spin.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "pair.h"
+#include "domain.h"
+#include "math_const.h"
+#include "math_special.h"
+#include "memory.h"
+#include "error.h"
+#include "update.h"
+
+#include "math_const.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace MathSpecial;
+
+#define SMALL 0.00001
+
+/* ---------------------------------------------------------------------- */
+
+EwaldDipoleSpin::EwaldDipoleSpin(LAMMPS *lmp) : 
+  EwaldDipole(lmp)
+{
+  dipoleflag = 0;
+  spinflag = 1;
+  
+  hbar = force->hplanck/MY_2PI;         	// eV/(rad.THz)
+  mub = 9.274e-4;                     		// in A.Ang^2
+  mu_0 = 785.15;               			// in eV/Ang/A^2
+  mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);	// in eV.Ang^3
+  mub2mu0hbinv = mub2mu0 / hbar;        	// in rad.THz
+}
+
+/* ----------------------------------------------------------------------
+   free all memory
+------------------------------------------------------------------------- */
+
+EwaldDipoleSpin::~EwaldDipoleSpin() {}
+
+/* ----------------------------------------------------------------------
+   called once before run
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::init()
+{
+  if (comm->me == 0) {
+    if (screen) fprintf(screen,"EwaldDipoleSpin initialization ...\n");
+    if (logfile) fprintf(logfile,"EwaldDipoleSpin initialization ...\n");
+  }
+
+  // error check
+  
+  spinflag = atom->sp?1:0;
+
+  triclinic_check();
+  
+  // no triclinic ewald spin (yet)
+  
+  triclinic = domain->triclinic;
+  if (triclinic)
+    error->all(FLERR,"Cannot (yet) use EwaldDipoleSpin with triclinic box");
+  
+  if (domain->dimension == 2)
+    error->all(FLERR,"Cannot use EwaldDipoleSpin with 2d simulation");
+
+  if (!atom->sp) error->all(FLERR,"Kspace style requires atom attribute sp");
+
+  if ((spinflag && strcmp(update->unit_style,"metal")) != 0)
+    error->all(FLERR,"'metal' units have to be used with spins");
+  
+  if (slabflag == 0 && domain->nonperiodic > 0)
+    error->all(FLERR,"Cannot use nonperiodic boundaries with EwaldDipoleSpin");
+  if (slabflag) {
+    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
+        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
+      error->all(FLERR,"Incorrect boundaries with slab EwaldDipoleSpin");
+  }
+
+  // extract short-range Coulombic cutoff from pair style
+
+  pair_check();
+
+  int itmp;
+  double *p_cutoff = (double *) force->pair->extract("cut_coul",itmp);
+  if (p_cutoff == NULL)
+    error->all(FLERR,"KSpace style is incompatible with Pair style");
+  double cutoff = *p_cutoff;
+
+  // kspace TIP4P not yet supported
+  // qdist = offset only for TIP4P fictitious charge
+
+  //qdist = 0.0;
+  if (tip4pflag)
+    error->all(FLERR,"Cannot yet use TIP4P with EwaldDipoleSpin");
+
+  // compute musum & musqsum and warn if no spin
+
+  scale = 1.0;
+  qqrd2e = force->qqrd2e;
+  spsum_musq();
+  natoms_original = atom->natoms;
+
+  // set accuracy (force units) from accuracy_relative or accuracy_absolute
+
+  if (accuracy_absolute >= 0.0) accuracy = accuracy_absolute;
+  else accuracy = accuracy_relative * two_charge_force;
+
+  // setup K-space resolution
+
+  bigint natoms = atom->natoms;
+
+  // use xprd,yprd,zprd even if triclinic so grid size is the same
+  // adjust z dimension for 2d slab EwaldDipoleSpin
+  // 3d EwaldDipoleSpin just uses zprd since slab_volfactor = 1.0
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  double zprd_slab = zprd*slab_volfactor;
+
+  // make initial g_ewald estimate
+  // based on desired accuracy and real space cutoff
+  // fluid-occupied volume used to estimate real-space error
+  // zprd used rather than zprd_slab
+
+  if (!gewaldflag) {
+    if (accuracy <= 0.0)
+      error->all(FLERR,"KSpace accuracy must be > 0");
+    
+    // initial guess with old method
+    
+    g_ewald = accuracy*sqrt(natoms*cutoff*xprd*yprd*zprd) / (2.0*mu2);
+    if (g_ewald >= 1.0) g_ewald = (1.35 - 0.15*log(accuracy))/cutoff;
+    else g_ewald = sqrt(-log(g_ewald)) / cutoff;
+    
+    // try Newton solver
+
+    double g_ewald_new =
+      NewtonSolve(g_ewald,cutoff,natoms,xprd*yprd*zprd,mu2);
+    if (g_ewald_new > 0.0) g_ewald = g_ewald_new;
+    else error->warning(FLERR,"Ewald/disp Newton solver failed, "
+                        "using old method to estimate g_ewald");  
+  }
+
+  // setup EwaldDipoleSpin coefficients so can print stats
+
+  setup();
+
+  // final RMS accuracy
+
+  double lprx = rms(kxmax_orig,xprd,natoms,q2);
+  double lpry = rms(kymax_orig,yprd,natoms,q2);
+  double lprz = rms(kzmax_orig,zprd_slab,natoms,q2);
+  double lpr = sqrt(lprx*lprx + lpry*lpry + lprz*lprz) / sqrt(3.0);
+  double q2_over_sqrt = q2 / sqrt(natoms*cutoff*xprd*yprd*zprd_slab);
+  double spr = 2.0 *q2_over_sqrt * exp(-g_ewald*g_ewald*cutoff*cutoff);
+  double tpr = estimate_table_accuracy(q2_over_sqrt,spr);
+  double estimated_accuracy = sqrt(lpr*lpr + spr*spr + tpr*tpr);
+
+  // stats
+
+  if (comm->me == 0) {
+    if (screen) {
+      fprintf(screen,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(screen,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(screen,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(screen,"  KSpace vectors: actual max1d max3d = %d %d %d\n",
+              kcount,kmax,kmax3d);
+      fprintf(screen,"                  kxmax kymax kzmax  = %d %d %d\n",
+              kxmax,kymax,kzmax);
+    }
+    if (logfile) {
+      fprintf(logfile,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(logfile,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(logfile,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(logfile,"  KSpace vectors: actual max1d max3d = %d %d %d\n",
+              kcount,kmax,kmax3d);
+      fprintf(logfile,"                  kxmax kymax kzmax  = %d %d %d\n",
+              kxmax,kymax,kzmax);
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   adjust EwaldDipoleSpin coeffs, called initially and whenever volume has changed
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::setup()
+{
+  // volume-dependent factors
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+
+  // adjustment of z dimension for 2d slab EwaldDipoleSpin
+  // 3d EwaldDipoleSpin just uses zprd since slab_volfactor = 1.0
+
+  double zprd_slab = zprd*slab_volfactor;
+  volume = xprd * yprd * zprd_slab;
+
+  unitk[0] = 2.0*MY_PI/xprd;
+  unitk[1] = 2.0*MY_PI/yprd;
+  unitk[2] = 2.0*MY_PI/zprd_slab;
+
+  int kmax_old = kmax;
+
+  if (kewaldflag == 0) {
+
+    // determine kmax
+    // function of current box size, accuracy, G_ewald (short-range cutoff)
+
+    bigint natoms = atom->natoms;
+    double err;
+    kxmax = 1;
+    kymax = 1;
+    kzmax = 1;	
+
+    // set kmax in 3 directions to respect accuracy
+
+    err = rms_dipole(kxmax,xprd,natoms);
+    while (err > accuracy) {
+      kxmax++;
+      err = rms_dipole(kxmax,xprd,natoms);
+    }
+
+    err = rms_dipole(kymax,yprd,natoms);
+    while (err > accuracy) {
+      kymax++;
+      err = rms_dipole(kymax,yprd,natoms);
+    }
+
+    err = rms_dipole(kzmax,zprd,natoms);
+    while (err > accuracy) {
+      kzmax++;
+      err = rms_dipole(kzmax,zprd,natoms);
+    }
+
+    kmax = MAX(kxmax,kymax);
+    kmax = MAX(kmax,kzmax);
+    kmax3d = 4*kmax*kmax*kmax + 6*kmax*kmax + 3*kmax;
+
+    double gsqxmx = unitk[0]*unitk[0]*kxmax*kxmax;
+    double gsqymx = unitk[1]*unitk[1]*kymax*kymax;
+    double gsqzmx = unitk[2]*unitk[2]*kzmax*kzmax;
+    gsqmx = MAX(gsqxmx,gsqymx);
+    gsqmx = MAX(gsqmx,gsqzmx);
+
+    kxmax_orig = kxmax;
+    kymax_orig = kymax;
+    kzmax_orig = kzmax;
+
+  } else {
+
+    kxmax = kx_ewald;
+    kymax = ky_ewald;
+    kzmax = kz_ewald;
+
+    kxmax_orig = kxmax;
+    kymax_orig = kymax;
+    kzmax_orig = kzmax;
+
+    kmax = MAX(kxmax,kymax);
+    kmax = MAX(kmax,kzmax);
+    kmax3d = 4*kmax*kmax*kmax + 6*kmax*kmax + 3*kmax;
+
+    double gsqxmx = unitk[0]*unitk[0]*kxmax*kxmax;
+    double gsqymx = unitk[1]*unitk[1]*kymax*kymax;
+    double gsqzmx = unitk[2]*unitk[2]*kzmax*kzmax;
+    gsqmx = MAX(gsqxmx,gsqymx);
+    gsqmx = MAX(gsqmx,gsqzmx);
+  }
+
+  gsqmx *= 1.00001;
+
+  // if size has grown, reallocate k-dependent and nlocal-dependent arrays
+
+  if (kmax > kmax_old) {
+    deallocate();
+    allocate();
+    group_allocate_flag = 0;
+
+    memory->destroy(ek);
+    memory->destroy(tk);
+    memory->destroy(vc);
+    memory->destroy3d_offset(cs,-kmax_created);
+    memory->destroy3d_offset(sn,-kmax_created);
+    nmax = atom->nmax;
+    memory->create(ek,nmax,3,"ewald_dipole_spin:ek");
+    memory->create(tk,nmax,3,"ewald_dipole_spin:tk");
+    memory->create(vc,kmax3d,6,"ewald_dipole_spin:tk");
+    memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald_dipole_spin:cs");
+    memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald_dipole_spin:sn");
+    kmax_created = kmax;
+  }
+
+  // pre-compute EwaldDipoleSpin coefficients
+
+  coeffs();
+}
+
+/* ----------------------------------------------------------------------
+   compute the EwaldDipoleSpin long-range force, energy, virial
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::compute(int eflag, int vflag)
+{
+  int i,j,k;
+  const double g3 = g_ewald*g_ewald*g_ewald;
+  double spx, spy, spz;
+
+  // set energy/virial flags
+
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = evflag_atom = eflag_global = vflag_global =
+         eflag_atom = vflag_atom = 0;
+
+  // if atom count has changed, update qsum and qsqsum
+
+  if (atom->natoms != natoms_original) {
+    spsum_musq();
+    natoms_original = atom->natoms;
+  }
+
+  // return if there are no charges
+
+  if (musqsum == 0.0) return;
+
+  // extend size of per-atom arrays if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(ek);
+    memory->destroy(tk);
+    memory->destroy(vc);
+    memory->destroy3d_offset(cs,-kmax_created);
+    memory->destroy3d_offset(sn,-kmax_created);
+    nmax = atom->nmax;
+    memory->create(ek,nmax,3,"ewald_dipole_spin:ek");
+    memory->create(tk,nmax,3,"ewald_dipole_spin:tk");
+    memory->create(vc,kmax3d,6,"ewald_dipole_spin:tk");
+    memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald_dipole_spin:cs");
+    memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald_dipole_spin:sn");
+    kmax_created = kmax;
+  }
+
+  // partial structure factors on each processor
+  // total structure factor by summing over procs
+
+  eik_dot_r();
+
+  MPI_Allreduce(sfacrl,sfacrl_all,kcount,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(sfacim,sfacim_all,kcount,MPI_DOUBLE,MPI_SUM,world);
+
+  // K-space portion of electric field
+  // double loop over K-vectors and local atoms
+  // perform per-atom calculations if needed
+
+  double **f = atom->f;
+  double **fm_long = atom->fm_long;
+  double **sp = atom->sp;
+  int nlocal = atom->nlocal;
+
+  int kx,ky,kz;
+  double cypz,sypz,exprl,expim;
+  double partial,partial2,partial_peratom;
+  double vcik[6];
+  double mudotk;
+
+  for (i = 0; i < nlocal; i++) {
+    ek[i][0] = ek[i][1] = ek[i][2] = 0.0;
+    tk[i][0] = tk[i][1] = tk[i][2] = 0.0;
+  }
+
+  for (k = 0; k < kcount; k++) {
+    kx = kxvecs[k];
+    ky = kyvecs[k];
+    kz = kzvecs[k];
+    for (j = 0; j<6; j++) vc[k][j] = 0.0;
+
+    for (i = 0; i < nlocal; i++) {
+
+      for (j = 0; j<6; j++) vcik[j] = 0.0;
+
+      // re-evaluating sp dot k
+      
+      spx = sp[i][0]*sp[i][3];
+      spy = sp[i][1]*sp[i][3];
+      spz = sp[i][2]*sp[i][3];
+      mudotk = spx*kx*unitk[0] + spy*ky*unitk[1] + spz*kz*unitk[2];
+
+      // calculating  re and im of exp(i*k*ri)
+
+      cypz = cs[ky][1][i]*cs[kz][2][i] - sn[ky][1][i]*sn[kz][2][i];
+      sypz = sn[ky][1][i]*cs[kz][2][i] + cs[ky][1][i]*sn[kz][2][i];
+      exprl = cs[kx][0][i]*cypz - sn[kx][0][i]*sypz;
+      expim = sn[kx][0][i]*cypz + cs[kx][0][i]*sypz;
+
+      // taking im of struct_fact x exp(i*k*ri) (for force calc.)
+
+      partial = mudotk*(expim*sfacrl_all[k] - exprl*sfacim_all[k]);
+      ek[i][0] += partial * eg[k][0];
+      ek[i][1] += partial * eg[k][1];
+      ek[i][2] += partial * eg[k][2];
+
+      // compute field for torque calculation
+
+      partial_peratom = exprl*sfacrl_all[k] + expim*sfacim_all[k];
+      tk[i][0] += partial2*eg[k][0];
+      tk[i][1] += partial2*eg[k][1];
+      tk[i][2] += partial2*eg[k][2];
+
+      // total and per-atom virial correction
+      
+      vc[k][0] += vcik[0] = -(partial_peratom * spx * eg[k][0]);
+      vc[k][1] += vcik[1] = -(partial_peratom * spy * eg[k][1]);
+      vc[k][2] += vcik[2] = -(partial_peratom * spz * eg[k][2]);
+      vc[k][3] += vcik[3] = -(partial_peratom * spx * eg[k][1]);
+      vc[k][4] += vcik[4] = -(partial_peratom * spx * eg[k][2]);
+      vc[k][5] += vcik[5] = -(partial_peratom * spy * eg[k][2]);
+      
+      // taking re-part of struct_fact x exp(i*k*ri) 
+      // (for per-atom energy and virial calc.)
+
+      if (evflag_atom) {
+        if (eflag_atom) eatom[i] += mudotk*ug[k]*partial_peratom;
+        if (vflag_atom)
+          for (j = 0; j < 6; j++)
+	    vatom[i][j] += (ug[k]*mudotk*vg[k][j]*partial_peratom - vcik[j]);
+      }
+    }
+  }
+
+  // force and mag. precession vectors calculation
+  
+  const double spscale = mub2mu0 * scale;
+  const double spscale2 = mub2mu0hbinv * scale;
+
+  for (i = 0; i < nlocal; i++) {
+    f[i][0] += spscale * ek[i][0];
+    f[i][1] += spscale * ek[i][1];
+    if (slabflag != 2) f[i][2] += spscale * ek[i][2];
+    fm_long[i][0] += spscale2 * tk[i][0];
+    fm_long[i][1] += spscale2 * tk[i][1];
+    if (slabflag != 2) fm_long[i][2] += spscale2 * tk[i][3];
+  }
+  
+  // sum global energy across Kspace vevs and add in volume-dependent term
+  // taking the re-part of struct_fact_i x struct_fact_j
+  // substracting self energy and scaling
+
+  if (eflag_global) {
+    for (k = 0; k < kcount; k++) {
+      energy += ug[k] * (sfacrl_all[k]*sfacrl_all[k] +
+                         sfacim_all[k]*sfacim_all[k]);
+    }
+    energy -= musqsum*2.0*g3/3.0/MY_PIS;
+    energy *= spscale;
+  }
+
+  // global virial
+
+  if (vflag_global) {
+    double uk, vk;
+    for (k = 0; k < kcount; k++) {
+      uk = ug[k] * (sfacrl_all[k]*sfacrl_all[k] + sfacim_all[k]*sfacim_all[k]);
+      for (j = 0; j < 6; j++) virial[j] += uk*vg[k][j] - vc[k][j];
+    }
+    for (j = 0; j < 6; j++) virial[j] *= spscale;
+  }
+
+  // per-atom energy/virial
+  // energy includes self-energy correction
+
+  if (evflag_atom) {
+    if (eflag_atom) {
+      for (i = 0; i < nlocal; i++) {
+	spx = sp[i][0]*sp[i][3];
+	spy = sp[i][1]*sp[i][3];
+	spz = sp[i][2]*sp[i][3];
+        eatom[i] -= (spx*spx + spy*spy + spz*spz)
+	  *2.0*g3/3.0/MY_PIS;
+        eatom[i] *= spscale;
+      }
+    }
+
+    if (vflag_atom)
+      for (i = 0; i < nlocal; i++)
+        for (j = 0; j < 6; j++) vatom[i][j] *= spscale;
+  }
+
+  // 2d slab correction
+
+  if (slabflag == 1) slabcorr();
+}
+
+/* ----------------------------------------------------------------------
+   compute the struc. factors and mu dot k products
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::eik_dot_r()
+{
+  int i,k,l,m,n,ic;
+  double cstr1,sstr1,cstr2,sstr2,cstr3,sstr3,cstr4,sstr4;
+  double sqk,clpm,slpm;
+  double spx, spy, spz, spi;
+  double mudotk;
+
+  double **x = atom->x;
+  double **sp = atom->sp;
+  int nlocal = atom->nlocal;
+
+  n = 0;
+  spi = spx = spy = spz = 0.0;
+
+  // loop on different k-directions
+  // loop on n kpoints and nlocal atoms
+  // store (n x nlocal) tab. of values of (mu_i dot k)
+  // store n values of sum_j[ (mu_j dot k) exp(-k dot r_j) ]
+
+  // (k,0,0), (0,l,0), (0,0,m)
+  
+  // loop 1: k=1, l=1, m=1
+  // define first val. of cos and sin
+
+  for (ic = 0; ic < 3; ic++) {
+    sqk = unitk[ic]*unitk[ic];
+    if (sqk <= gsqmx) {
+      cstr1 = 0.0;
+      sstr1 = 0.0;
+      for (i = 0; i < nlocal; i++) {
+        cs[0][ic][i] = 1.0;
+        sn[0][ic][i] = 0.0;
+        cs[1][ic][i] = cos(unitk[ic]*x[i][ic]);
+        sn[1][ic][i] = sin(unitk[ic]*x[i][ic]);
+        cs[-1][ic][i] = cs[1][ic][i];
+        sn[-1][ic][i] = -sn[1][ic][i];
+	spi = sp[i][ic]*sp[i][3];
+        mudotk = (spi*unitk[ic]);
+        cstr1 += mudotk*cs[1][ic][i];
+        sstr1 += mudotk*sn[1][ic][i];
+      }
+      sfacrl[n] = cstr1;
+      sfacim[n++] = sstr1;
+    }
+  }
+
+  // loop 2: k>1, l>1, m>1
+
+  for (m = 2; m <= kmax; m++) {
+    for (ic = 0; ic < 3; ic++) {
+      sqk = m*unitk[ic] * m*unitk[ic];
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+          cs[m][ic][i] = cs[m-1][ic][i]*cs[1][ic][i] -
+            sn[m-1][ic][i]*sn[1][ic][i];
+          sn[m][ic][i] = sn[m-1][ic][i]*cs[1][ic][i] +
+            cs[m-1][ic][i]*sn[1][ic][i];
+          cs[-m][ic][i] = cs[m][ic][i];
+          sn[-m][ic][i] = -sn[m][ic][i];
+	  spi = sp[i][ic]*sp[i][3];
+	  mudotk = (spi*m*unitk[ic]);
+          cstr1 += mudotk*cs[m][ic][i];
+          sstr1 += mudotk*sn[m][ic][i];
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+      }
+    }
+  }
+
+  // 1 = (k,l,0), 2 = (k,-l,0)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (l = 1; l <= kymax; l++) {
+      sqk = (k*unitk[0] * k*unitk[0]) + (l*unitk[1] * l*unitk[1]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+	  spx = sp[i][0]*sp[i][3];
+	  spy = sp[i][1]*sp[i][3];
+
+	  // dir 1: (k,l,0)
+	  mudotk = (spx*k*unitk[0] + spy*l*unitk[1]);
+          cstr1 += mudotk*(cs[k][0][i]*cs[l][1][i]-sn[k][0][i]*sn[l][1][i]);
+          sstr1 += mudotk*(sn[k][0][i]*cs[l][1][i]+cs[k][0][i]*sn[l][1][i]);
+	  
+	  // dir 2: (k,-l,0)
+	  mudotk = (spx*k*unitk[0] - spy*l*unitk[1]);
+          cstr2 += mudotk*(cs[k][0][i]*cs[l][1][i]+sn[k][0][i]*sn[l][1][i]);
+          sstr2 += mudotk*(sn[k][0][i]*cs[l][1][i]-cs[k][0][i]*sn[l][1][i]);
+	}
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (0,l,m), 2 = (0,l,-m)
+
+  for (l = 1; l <= kymax; l++) {
+    for (m = 1; m <= kzmax; m++) {
+      sqk = (l*unitk[1] * l*unitk[1]) + (m*unitk[2] * m*unitk[2]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+	  spy = sp[i][1]*sp[i][3];
+	  spz = sp[i][2]*sp[i][3];
+
+	  // dir 1: (0,l,m)
+      	  mudotk = (spy*l*unitk[1] + spz*m*unitk[2]); 
+          cstr1 += mudotk*(cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i]);
+          sstr1 += mudotk*(sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i]);
+	  
+	  // dir 2: (0,l,-m)
+	  mudotk = (spy*l*unitk[1] - spz*m*unitk[2]); 
+          cstr2 += mudotk*(cs[l][1][i]*cs[m][2][i]+sn[l][1][i]*sn[m][2][i]);
+          sstr2 += mudotk*(sn[l][1][i]*cs[m][2][i]-cs[l][1][i]*sn[m][2][i]);
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (k,0,m), 2 = (k,0,-m)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (m = 1; m <= kzmax; m++) {
+      sqk = (k*unitk[0] * k*unitk[0]) + (m*unitk[2] * m*unitk[2]);
+      if (sqk <= gsqmx) {
+        cstr1 = 0.0;
+        sstr1 = 0.0;
+        cstr2 = 0.0;
+        sstr2 = 0.0;
+        for (i = 0; i < nlocal; i++) {
+      	  spx = sp[i][0]*sp[i][3];
+	  spz = sp[i][2]*sp[i][3];
+
+	  // dir 1: (k,0,m)
+	  mudotk = (spx*k*unitk[0] + spz*m*unitk[2]); 
+          cstr1 += mudotk*(cs[k][0][i]*cs[m][2][i]-sn[k][0][i]*sn[m][2][i]);
+          sstr1 += mudotk*(sn[k][0][i]*cs[m][2][i]+cs[k][0][i]*sn[m][2][i]);
+	  
+	  // dir 2: (k,0,-m)
+	  mudotk = (spx*k*unitk[0] - spz*m*unitk[2]); 
+          cstr2 += mudotk*(cs[k][0][i]*cs[m][2][i]+sn[k][0][i]*sn[m][2][i]);
+          sstr2 += mudotk*(sn[k][0][i]*cs[m][2][i]-cs[k][0][i]*sn[m][2][i]);
+        }
+        sfacrl[n] = cstr1;
+        sfacim[n++] = sstr1;
+        sfacrl[n] = cstr2;
+        sfacim[n++] = sstr2;
+      }
+    }
+  }
+
+  // 1 = (k,l,m), 2 = (k,-l,m), 3 = (k,l,-m), 4 = (k,-l,-m)
+
+  for (k = 1; k <= kxmax; k++) {
+    for (l = 1; l <= kymax; l++) {
+      for (m = 1; m <= kzmax; m++) {
+        sqk = (k*unitk[0] * k*unitk[0]) + (l*unitk[1] * l*unitk[1]) +
+          (m*unitk[2] * m*unitk[2]);
+        if (sqk <= gsqmx) {
+          cstr1 = 0.0;
+          sstr1 = 0.0;
+          cstr2 = 0.0;
+          sstr2 = 0.0;
+          cstr3 = 0.0;
+          sstr3 = 0.0;
+          cstr4 = 0.0;
+          sstr4 = 0.0;
+          for (i = 0; i < nlocal; i++) {
+      	    spx = sp[i][0]*sp[i][3];
+	    spy = sp[i][1]*sp[i][3];
+	    spz = sp[i][2]*sp[i][3];
+
+	    // dir 1: (k,l,m)
+	    mudotk = (spx*k*unitk[0] + spy*l*unitk[1] + spz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i];
+            slpm = sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i];
+            cstr1 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr1 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 2: (k,-l,m)
+	    mudotk = (spx*k*unitk[0] - spy*l*unitk[1] + spz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] + sn[l][1][i]*sn[m][2][i];
+            slpm = -sn[l][1][i]*cs[m][2][i] + cs[l][1][i]*sn[m][2][i];
+            cstr2 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr2 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 3: (k,l,-m)
+	    mudotk = (spx*k*unitk[0] + spy*l*unitk[1] - spz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] + sn[l][1][i]*sn[m][2][i];
+            slpm = sn[l][1][i]*cs[m][2][i] - cs[l][1][i]*sn[m][2][i];
+            cstr3 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr3 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+
+	    // dir 4: (k,-l,-m)
+	    mudotk = (spx*k*unitk[0] - spy*l*unitk[1] - spz*m*unitk[2]); 
+            clpm = cs[l][1][i]*cs[m][2][i] - sn[l][1][i]*sn[m][2][i];
+            slpm = -sn[l][1][i]*cs[m][2][i] - cs[l][1][i]*sn[m][2][i];
+            cstr4 += mudotk*(cs[k][0][i]*clpm - sn[k][0][i]*slpm);
+            sstr4 += mudotk*(sn[k][0][i]*clpm + cs[k][0][i]*slpm);
+          }
+          sfacrl[n] = cstr1;
+          sfacim[n++] = sstr1;
+          sfacrl[n] = cstr2;
+          sfacim[n++] = sstr2;
+          sfacrl[n] = cstr3;
+          sfacim[n++] = sstr3;
+          sfacrl[n] = cstr4;
+          sfacim[n++] = sstr4;
+        }
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   Slab-geometry correction term to dampen inter-slab interactions between
+   periodically repeating slabs.  Yields good approximation to 2D EwaldDipoleSpin if
+   adequate empty space is left between repeating slabs (J. Chem. Phys.
+   111, 3155).  Slabs defined here to be parallel to the xy plane. Also
+   extended to non-neutral systems (J. Chem. Phys. 131, 094107).
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::slabcorr()
+{
+  // compute local contribution to global dipole/spin moment
+
+  double **x = atom->x;
+  double zprd = domain->zprd;
+  int nlocal = atom->nlocal;
+
+  double spin = 0.0;
+  double **sp = atom->sp;
+  double spx,spy,spz;
+  for (int i = 0; i < nlocal; i++) { 
+    spz = sp[i][2]*sp[i][3];
+    spin += spz;
+  }
+
+  // sum local contributions to get global spin moment
+
+  double spin_all;
+  MPI_Allreduce(&spin,&spin_all,1,MPI_DOUBLE,MPI_SUM,world);
+
+  // need to make non-neutral systems and/or
+  //  per-atom energy translationally invariant
+
+  if (eflag_atom || fabs(qsum) > SMALL) {
+
+    error->all(FLERR,"Cannot (yet) use kspace slab correction with "
+      "long-range spins and non-neutral systems or per-atom energy");
+  }
+
+  // compute corrections
+
+  const double e_slabcorr = MY_2PI*(spin_all*spin_all/12.0)/volume;
+  const double spscale = mub2mu0 * scale;
+
+  if (eflag_global) energy += spscale * e_slabcorr;
+
+  // per-atom energy
+
+  if (eflag_atom) {
+    double efact = spscale * MY_2PI/volume/12.0;
+    for (int i = 0; i < nlocal; i++) {
+      spz = sp[i][2]*sp[i][3];
+      eatom[i] += efact * spz * spin_all;
+    }
+  }
+
+  // add on mag. force corrections
+
+  double ffact = spscale * (-4.0*MY_PI/volume);
+  double **fm_long = atom->fm_long;
+  for (int i = 0; i < nlocal; i++) {
+    fm_long[i][2] += ffact * spin_all;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute musum,musqsum,mu2 for magnetic spins
+   called initially, when particle count changes, when spins are changed
+------------------------------------------------------------------------- */
+
+void EwaldDipoleSpin::spsum_musq()
+{
+  const int nlocal = atom->nlocal;
+
+  musum = musqsum = mu2 = 0.0;
+  if (atom->sp_flag) {
+    double** sp = atom->sp;
+    double spx,spy,spz;
+    double musum_local(0.0), musqsum_local(0.0);
+
+    for (int i = 0; i < nlocal; i++) {
+      spx = sp[i][0]*sp[i][3];
+      spy = sp[i][1]*sp[i][3];
+      spz = sp[i][2]*sp[i][3];
+      musum_local += spx + spy + spz;
+      musqsum_local += spx*spx + spy*spy + spz*spz;
+    }
+
+    MPI_Allreduce(&musum_local,&musum,1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(&musqsum_local,&musqsum,1,MPI_DOUBLE,MPI_SUM,world);
+
+    //mu2 = musqsum * mub2mu0;
+    mu2 = musqsum;
+  }
+
+  if (mu2 == 0 && comm->me == 0)
+    error->all(FLERR,"Using kspace solver EwaldDipoleSpin on system with no spins");
+}
diff --git a/src/KSPACE/ewald_dipole_spin.h b/src/KSPACE/ewald_dipole_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..20852c08c1720d28f7bff6526fdd1d6bd220f2f9
--- /dev/null
+++ b/src/KSPACE/ewald_dipole_spin.h
@@ -0,0 +1,102 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef KSPACE_CLASS
+
+KSpaceStyle(ewald/dipole/spin,EwaldDipoleSpin)
+
+#else
+
+#ifndef LMP_EWALD_DIPOLE_SPIN_H
+#define LMP_EWALD_DIPOLE_SPIN_H
+
+#include "ewald_dipole.h"
+
+namespace LAMMPS_NS {
+
+class EwaldDipoleSpin : public EwaldDipole {
+ public:
+  EwaldDipoleSpin(class LAMMPS *);
+  virtual ~EwaldDipoleSpin();
+  void init();
+  void setup();
+  void compute(int, int);
+
+ protected:
+  double hbar;                  // reduced Planck's constant      
+  double mub;                   // Bohr's magneton                
+  double mu_0;                  // vacuum permeability
+  double mub2mu0;               // prefactor for mech force
+  double mub2mu0hbinv;          // prefactor for mag force
+
+  void spsum_musq(); 
+  virtual void eik_dot_r();
+  void slabcorr();
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Cannot use EwaldDipoleSpin with 2d simulation
+
+The kspace style ewald cannot be used in 2d simulations.  You can use
+2d EwaldDipoleSpin in a 3d simulation; see the kspace_modify command.
+
+E: Kspace style requires atom attribute q
+
+The atom style defined does not have these attributes.
+
+E: Cannot use nonperiodic boundaries with EwaldDipoleSpin
+
+For kspace style ewald, all 3 dimensions must have periodic boundaries
+unless you use the kspace_modify command to define a 2d slab with a
+non-periodic z dimension.
+
+E: Incorrect boundaries with slab EwaldDipoleSpin
+
+Must have periodic x,y dimensions and non-periodic z dimension to use
+2d slab option with EwaldDipoleSpin.
+
+E: Cannot (yet) use EwaldDipoleSpin with triclinic box and slab correction
+
+This feature is not yet supported.
+
+E: KSpace style is incompatible with Pair style
+
+Setting a kspace style requires that a pair style with matching
+long-range Coulombic or dispersion components be used.
+
+E: KSpace accuracy must be > 0
+
+The kspace accuracy designated in the input must be greater than zero.
+
+E: Must use 'kspace_modify gewald' for uncharged system
+
+UNDOCUMENTED
+
+E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems
+
+This option is not yet supported.
+
+*/
diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp
index 4cbdf7b9cb3612fd43d6284d75fba71df9cf8425..0603d68eb2c0698a74bdb38b13008abd45e9b8c3 100644
--- a/src/KSPACE/ewald_disp.cpp
+++ b/src/KSPACE/ewald_disp.cpp
@@ -688,8 +688,7 @@ void EwaldDisp::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (!peratom_allocate_flag && (eflag_atom || vflag_atom)) {
       allocate_peratom();
diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp
index 3e90988cba7c9c7b9e35358f7b0fd1caf896c321..0c726985dc7abc3eca60842b9233ad8d8c86e507 100644
--- a/src/KSPACE/fix_tune_kspace.cpp
+++ b/src/KSPACE/fix_tune_kspace.cpp
@@ -99,8 +99,8 @@ void FixTuneKspace::init()
     error->all(FLERR,"Cannot use fix tune/kspace with dipole long-range solver");
 
   double old_acc = force->kspace->accuracy/force->kspace->two_charge_force;
-  char old_acc_str[12];
-  sprintf(old_acc_str,"%g",old_acc);
+  char old_acc_str[16];
+  snprintf(old_acc_str,16,"%g",old_acc);
   strcpy(new_acc_str,old_acc_str);
 
   int itmp;
@@ -210,8 +210,8 @@ void FixTuneKspace::store_old_kspace_settings()
   strcpy(old_kspace_style,force->kspace_style);
   strcpy(new_kspace_style,old_kspace_style);
   double old_acc = force->kspace->accuracy_relative;
-  char old_acc_str[12];
-  sprintf(old_acc_str,"%g",old_acc);
+  char old_acc_str[16];
+  snprintf(old_acc_str,16,"%g",old_acc);
   strcpy(new_pair_style,force->pair_style);
   strcpy(base_pair_style,force->pair_style);
   char *trunc;
diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp
index d8964ffa670e897a09ac6e3ad83b20726ce0f9fd..d7cc3f6876949147fb7822078496fe962b768c46 100644
--- a/src/KSPACE/msm.cpp
+++ b/src/KSPACE/msm.cpp
@@ -454,9 +454,7 @@ void MSM::compute(int eflag, int vflag)
 
   // set energy/virial flags
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-    eflag_atom = vflag_atom = eflag_either = vflag_either = 0;
+  ev_init(eflag,vflag);
 
   if (scalar_pressure_flag && vflag_either) {
     if (vflag_atom)
diff --git a/src/KSPACE/msm_cg.cpp b/src/KSPACE/msm_cg.cpp
index 55435e5a6e36cef5a9991273bdcab5472bb18dca..c7896db50c727f2c309070edefa4cb8f4f42f30a 100644
--- a/src/KSPACE/msm_cg.cpp
+++ b/src/KSPACE/msm_cg.cpp
@@ -90,9 +90,7 @@ void MSMCG::compute(int eflag, int vflag)
 
   // set energy/virial flags
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-    eflag_atom = vflag_atom = eflag_either = vflag_either = 0;
+  ev_init(eflag,vflag);
 
   // invoke allocate_peratom() if needed for first time
 
diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp
index d55a5a3afe7e239480daa22f17712a020c44cc2f..f12f5779d942df78a3721c1e71d25d0dd0da193b 100644
--- a/src/KSPACE/pair_born_coul_long.cpp
+++ b/src/KSPACE/pair_born_coul_long.cpp
@@ -87,8 +87,7 @@ void PairBornCoulLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_born_coul_msm.cpp b/src/KSPACE/pair_born_coul_msm.cpp
index 775d26df95e131fe812069c8124555739cee2f70..eaa1c116c1b5cff1e06d49c02af72d1d639aa8b8 100644
--- a/src/KSPACE/pair_born_coul_msm.cpp
+++ b/src/KSPACE/pair_born_coul_msm.cpp
@@ -82,8 +82,7 @@ void PairBornCoulMSM::compute(int eflag, int vflag)
   }
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp
index a37e4ab4e9429180b786d6d110512355ae3f4095..0a1ec88da5daf0630a72a73f39b10d68384a84b1 100644
--- a/src/KSPACE/pair_buck_coul_long.cpp
+++ b/src/KSPACE/pair_buck_coul_long.cpp
@@ -50,23 +50,23 @@ PairBuckCoulLong::PairBuckCoulLong(LAMMPS *lmp) : Pair(lmp)
 
 PairBuckCoulLong::~PairBuckCoulLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(a);
-      memory->destroy(rho);
-      memory->destroy(c);
-      memory->destroy(rhoinv);
-      memory->destroy(buck1);
-      memory->destroy(buck2);
-      memory->destroy(offset);
-    }
-    if (ftable) free_tables();
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(a);
+    memory->destroy(rho);
+    memory->destroy(c);
+    memory->destroy(rhoinv);
+    memory->destroy(buck1);
+    memory->destroy(buck2);
+    memory->destroy(offset);
   }
+  if (ftable) free_tables();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -82,8 +82,7 @@ void PairBuckCoulLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_buck_coul_msm.cpp b/src/KSPACE/pair_buck_coul_msm.cpp
index fc72f1a4d6886b275a8b195a162364f85ae50ddf..257d1b661f759dbd67f150b85124b742c293d382 100644
--- a/src/KSPACE/pair_buck_coul_msm.cpp
+++ b/src/KSPACE/pair_buck_coul_msm.cpp
@@ -79,8 +79,7 @@ void PairBuckCoulMSM::compute(int eflag, int vflag)
   }
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp
index d5bb7b6c5b6106686e2bd1f641b2a17de7118c05..c7a4a4b2f6d2397b6f788ae2597b6804f0102449 100644
--- a/src/KSPACE/pair_buck_long_coul_long.cpp
+++ b/src/KSPACE/pair_buck_long_coul_long.cpp
@@ -445,8 +445,7 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag)
 
   double evdwl,ecoul,fpair;
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x, *x0 = x[0];
   double **f = atom->f, *f0 = f[0], *fi = f0;
@@ -785,8 +784,7 @@ void PairBuckLongCoulLong::compute_outer(int eflag, int vflag)
 {
   double evdwl,ecoul,fpair,fvirial;
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x, *x0 = x[0];
   double **f = atom->f, *f0 = f[0], *fi = f0;
diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp
index 8db5979b39378db0d66053651f5a08f8af875241..ae268b985793559464cea9b0829f70877f2cc774 100644
--- a/src/KSPACE/pair_coul_long.cpp
+++ b/src/KSPACE/pair_coul_long.cpp
@@ -55,15 +55,15 @@ PairCoulLong::PairCoulLong(LAMMPS *lmp) : Pair(lmp)
 
 PairCoulLong::~PairCoulLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
+  if (copymode) return;
 
-      memory->destroy(scale);
-    }
-    if (ftable) free_tables();
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(scale);
   }
+  if (ftable) free_tables();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -79,8 +79,7 @@ void PairCoulLong::compute(int eflag, int vflag)
   double rsq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_coul_msm.cpp b/src/KSPACE/pair_coul_msm.cpp
index ab59dfa4c1bb69f551b5aa0672dd20e485e913c0..960505142ce796970fbe17395517ed63e7483150 100644
--- a/src/KSPACE/pair_coul_msm.cpp
+++ b/src/KSPACE/pair_coul_msm.cpp
@@ -67,8 +67,7 @@ void PairCoulMSM::compute(int eflag, int vflag)
   }
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp
index 749d9657aacc6c0418ed04b059a737a031e3dfc0..b40eab244b57286f27c9c8adeaea291127075b85 100644
--- a/src/KSPACE/pair_lj_charmm_coul_long.cpp
+++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp
@@ -59,27 +59,27 @@ PairLJCharmmCoulLong::PairLJCharmmCoulLong(LAMMPS *lmp) : Pair(lmp)
 
 PairLJCharmmCoulLong::~PairLJCharmmCoulLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(eps14);
-      memory->destroy(sigma14);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(lj14_1);
-      memory->destroy(lj14_2);
-      memory->destroy(lj14_3);
-      memory->destroy(lj14_4);
-      memory->destroy(offset);
-    }
-    if (ftable) free_tables();
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(eps14);
+    memory->destroy(sigma14);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(lj14_1);
+    memory->destroy(lj14_2);
+    memory->destroy(lj14_3);
+    memory->destroy(lj14_4);
+    memory->destroy(offset);
   }
+  if (ftable) free_tables();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -96,8 +96,7 @@ void PairLJCharmmCoulLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -404,8 +403,7 @@ void PairLJCharmmCoulLong::compute_outer(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_lj_charmm_coul_msm.cpp b/src/KSPACE/pair_lj_charmm_coul_msm.cpp
index aecadcf127394e0b89dcbf56605e5e34ad7cfc81..72a8e340bce19714de6a5aa6a253bece1f70c591 100644
--- a/src/KSPACE/pair_lj_charmm_coul_msm.cpp
+++ b/src/KSPACE/pair_lj_charmm_coul_msm.cpp
@@ -87,8 +87,7 @@ void PairLJCharmmCoulMSM::compute(int eflag, int vflag)
   }
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -265,8 +264,7 @@ void PairLJCharmmCoulMSM::compute_outer(int eflag, int vflag)
      "for rRESPA with kspace_style MSM");
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
index 614980117e4e8b9c45de65a80b8547a6b42f9d0b..cdde21115742aa9f0ae0bd6b048688397a0fc61c 100644
--- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
+++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
@@ -77,27 +77,6 @@ PairLJCharmmfswCoulLong::PairLJCharmmfswCoulLong(LAMMPS *lmp) : Pair(lmp)
 
 PairLJCharmmfswCoulLong::~PairLJCharmmfswCoulLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(eps14);
-      memory->destroy(sigma14);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(lj14_1);
-      memory->destroy(lj14_2);
-      memory->destroy(lj14_3);
-      memory->destroy(lj14_4);
-    }
-    if (ftable) free_tables();
-  }
-
   // switch qqr2e back from CHARMM value to LAMMPS value
 
   if (update && strcmp(update->unit_style,"real") == 0) {
@@ -106,6 +85,27 @@ PairLJCharmmfswCoulLong::~PairLJCharmmfswCoulLong()
                      " conversion constant");
     force->qqr2e = force->qqr2e_lammps_real;
   }
+
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(eps14);
+    memory->destroy(sigma14);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(lj14_1);
+    memory->destroy(lj14_2);
+    memory->destroy(lj14_3);
+    memory->destroy(lj14_4);
+  }
+  if (ftable) free_tables();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -121,8 +121,7 @@ void PairLJCharmmfswCoulLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -452,8 +451,7 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -503,6 +501,7 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
 
       if (rsq < cut_bothsq) {
         r2inv = 1.0/rsq;
+        r6inv = r2inv*r2inv*r2inv;
 
         if (rsq < cut_coulsq) {
           if (!ncoultablebits || rsq <= tabinnersq) {
@@ -543,7 +542,6 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
         } else forcecoul = 0.0;
 
         if (rsq < cut_ljsq && rsq > cut_in_off_sq) {
-          r6inv = r2inv*r2inv*r2inv;
           forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
           if (rsq > cut_lj_innersq) {
             switch1 = (cut_ljsq-rsq) * (cut_ljsq-rsq) *
@@ -584,11 +582,10 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
           } else ecoul = 0.0;
 
           if (rsq < cut_ljsq) {
-            r6inv = r2inv*r2inv*r2inv;
             evdwl = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);
             if (rsq > cut_lj_innersq) {
-              rinv = 1.0/r;
-              r3inv = rinv*rinv*rinv;
+              rinv = sqrt(r2inv);
+              r3inv = r2inv*rinv;
               evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
                 (r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
               evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
@@ -622,7 +619,6 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
           } else forcecoul = 0.0;
 
           if (rsq <= cut_in_off_sq) {
-            r6inv = r2inv*r2inv*r2inv;
             forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
             if (rsq > cut_lj_innersq) {
               switch1 = (cut_ljsq-rsq) * (cut_ljsq-rsq) *
diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp
index c9530fe157f5fcfa012b8fdb7ea49a9d2dc4c0aa..fde7fa8e354723f99a11aee5013f2117e7d36303 100644
--- a/src/KSPACE/pair_lj_cut_coul_long.cpp
+++ b/src/KSPACE/pair_lj_cut_coul_long.cpp
@@ -90,8 +90,7 @@ void PairLJCutCoulLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -397,8 +396,7 @@ void PairLJCutCoulLong::compute_outer(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_lj_cut_coul_msm.cpp b/src/KSPACE/pair_lj_cut_coul_msm.cpp
index 78c364bd6aae4a416945e22e207bc28985ba0471..c2e566a117bddc06f965d662b7d41cfa09a13205 100644
--- a/src/KSPACE/pair_lj_cut_coul_msm.cpp
+++ b/src/KSPACE/pair_lj_cut_coul_msm.cpp
@@ -87,8 +87,7 @@ void PairLJCutCoulMSM::compute(int eflag, int vflag)
   }
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -252,8 +251,7 @@ void PairLJCutCoulMSM::compute_outer(int eflag, int vflag)
      "for rRESPA with kspace_style MSM");
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.cpp b/src/KSPACE/pair_lj_cut_tip4p_long.cpp
index d622a83b394e95e48195cb037ba35ab67536e3b6..f5889fd520dd4b330bdd28d59af63850f2390813 100644
--- a/src/KSPACE/pair_lj_cut_tip4p_long.cpp
+++ b/src/KSPACE/pair_lj_cut_tip4p_long.cpp
@@ -94,8 +94,7 @@ void PairLJCutTIP4PLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp
index 2de527ab396e8f0a0a27bcdda23f62707b563181..493866a895c4764d6275f78c6135c619f4197d20 100644
--- a/src/KSPACE/pair_lj_long_coul_long.cpp
+++ b/src/KSPACE/pair_lj_long_coul_long.cpp
@@ -441,8 +441,7 @@ void PairLJLongCoulLong::compute(int eflag, int vflag)
 {
   double evdwl,ecoul,fpair;
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x, *x0 = x[0];
   double **f = atom->f, *f0 = f[0], *fi = f0;
@@ -778,8 +777,7 @@ void PairLJLongCoulLong::compute_outer(int eflag, int vflag)
 {
   double evdwl,ecoul,fvirial,fpair;
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x, *x0 = x[0];
   double **f = atom->f, *f0 = f[0], *fi = f0;
diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp
index a571e30fc377b6bafb48126e149576882aa4d27d..3137b9d79ad30863cc8ba90b53044109dc40e99b 100644
--- a/src/KSPACE/pair_lj_long_tip4p_long.cpp
+++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp
@@ -92,8 +92,7 @@ void PairLJLongTIP4PLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
@@ -1004,8 +1003,7 @@ void PairLJLongTIP4PLong::compute_outer(int eflag, int vflag)
   int respa_flag;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/KSPACE/pair_tip4p_long.cpp b/src/KSPACE/pair_tip4p_long.cpp
index ac428d483af745221d89146d9de6f576c0923c8d..9419fdf19667fd1ca623bd546dba9f14c905cf55 100644
--- a/src/KSPACE/pair_tip4p_long.cpp
+++ b/src/KSPACE/pair_tip4p_long.cpp
@@ -90,8 +90,7 @@ void PairTIP4PLong::compute(int eflag, int vflag)
   double rsq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 8fd74d00dcc8fc3f08b21c061f418682ac7c31ad..53c18804a57872486a19b46bea8caedbc0e45ec8 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -630,9 +630,7 @@ void PPPM::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
@@ -1432,12 +1430,13 @@ void PPPM::set_grid_local()
   double zprd = prd[2];
   double zprd_slab = zprd*slab_volfactor;
 
-  double dist[3];
+  double dist[3] = {0.0,0.0,0.0};
   double cuthalf = 0.5*neighbor->skin + qdist;
   if (triclinic == 0) dist[0] = dist[1] = dist[2] = cuthalf;
   else kspacebbox(cuthalf,&dist[0]);
 
   int nlo,nhi;
+  nlo = nhi = 0;
 
   nlo = static_cast<int> ((sublo[0]-dist[0]-boxlo[0]) *
                             nx_pppm/xprd + shift) - OFFSET;
diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h
index c9190d9fcabbdbc5a262d63d48913f3b981e090d..1ce1a0d66674960bf3a1a71aa1c8fc27b2663444 100644
--- a/src/KSPACE/pppm.h
+++ b/src/KSPACE/pppm.h
@@ -42,7 +42,7 @@ class PPPM : public KSpace {
   virtual void settings(int, char **);
   virtual void init();
   virtual void setup();
-  void setup_grid();
+  virtual void setup_grid();
   virtual void compute(int, int);
   virtual int timing_1d(int, double &);
   virtual int timing_3d(int, double &);
@@ -106,10 +106,10 @@ class PPPM : public KSpace {
   double qdist;                // distance from O site to negative charge
   double alpha;                // geometric factor
 
-  void set_grid_global();
+  virtual void set_grid_global();
   void set_grid_local();
   void adjust_gewald();
-  double newton_raphson_f();
+  virtual double newton_raphson_f();
   double derivf();
   double final_accuracy();
 
@@ -146,7 +146,7 @@ class PPPM : public KSpace {
   void compute_drho1d(const FFT_SCALAR &, const FFT_SCALAR &,
                      const FFT_SCALAR &);
   void compute_rho_coeff();
-  void slabcorr();
+  virtual void slabcorr();
 
   // grid communication
 
diff --git a/src/KSPACE/pppm_cg.cpp b/src/KSPACE/pppm_cg.cpp
index fa73588363bb632b42b4cd64acf9d723c6cdd4c5..3285dba21c775e427ce38916a8b00275958bcf06 100644
--- a/src/KSPACE/pppm_cg.cpp
+++ b/src/KSPACE/pppm_cg.cpp
@@ -88,9 +88,7 @@ void PPPMCG::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
diff --git a/src/KSPACE/pppm_dipole.cpp b/src/KSPACE/pppm_dipole.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..21a777dd753d8948cc43c45fa257d0602301b8d2
--- /dev/null
+++ b/src/KSPACE/pppm_dipole.cpp
@@ -0,0 +1,2568 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing authors: Stan Moore (SNL), Julien Tranchida (SNL)
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cstring>
+#include <cstdio>
+#include <cstdlib>
+#include <cmath>
+#include "pppm_dipole.h"
+#include "atom.h"
+#include "comm.h"
+#include "gridcomm.h"
+#include "neighbor.h"
+#include "force.h"
+#include "pair.h"
+#include "bond.h"
+#include "angle.h"
+#include "domain.h"
+#include "fft3d_wrap.h"
+#include "remap_wrap.h"
+#include "memory.h"
+#include "error.h"
+#include "update.h"
+
+#include "math_const.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace MathSpecial;
+
+#define MAXORDER 7
+#define OFFSET 16384
+#define LARGE 10000.0
+#define SMALL 0.00001
+#define EPS_HOC 1.0e-7
+
+enum{REVERSE_MU};
+enum{FORWARD_MU,FORWARD_MU_PERATOM};
+
+#ifdef FFT_SINGLE
+#define ZEROF 0.0f
+#define ONEF  1.0f
+#else
+#define ZEROF 0.0
+#define ONEF  1.0
+#endif
+
+/* ---------------------------------------------------------------------- */
+
+PPPMDipole::PPPMDipole(LAMMPS *lmp) : PPPM(lmp),
+  densityx_brick_dipole(NULL), densityy_brick_dipole(NULL), 
+  densityz_brick_dipole(NULL), ux_brick_dipole(NULL), 
+  uy_brick_dipole(NULL), uz_brick_dipole(NULL), vdxx_brick_dipole(NULL), 
+  vdxy_brick_dipole(NULL), vdyy_brick_dipole(NULL), 
+  vdxz_brick_dipole(NULL), vdyz_brick_dipole(NULL), 
+  vdzz_brick_dipole(NULL), v0x_brick_dipole(NULL), v1x_brick_dipole(NULL), 
+  v2x_brick_dipole(NULL), v3x_brick_dipole(NULL), v4x_brick_dipole(NULL), 
+  v5x_brick_dipole(NULL), v0y_brick_dipole(NULL), v1y_brick_dipole(NULL), 
+  v2y_brick_dipole(NULL), v3y_brick_dipole(NULL), v4y_brick_dipole(NULL), 
+  v5y_brick_dipole(NULL), v0z_brick_dipole(NULL), v1z_brick_dipole(NULL), 
+  v2z_brick_dipole(NULL), v3z_brick_dipole(NULL), v4z_brick_dipole(NULL), 
+  v5z_brick_dipole(NULL), work3(NULL), work4(NULL), 
+  densityx_fft_dipole(NULL), densityy_fft_dipole(NULL), 
+  densityz_fft_dipole(NULL)
+{
+  dipoleflag = 1;
+  group_group_enable = 0;
+
+  cg_dipole = NULL;
+  cg_peratom_dipole = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   free all memory
+------------------------------------------------------------------------- */
+
+PPPMDipole::~PPPMDipole()
+{
+  if (copymode) return;
+
+  deallocate();
+  if (peratom_allocate_flag) deallocate_peratom();
+  fft1 = NULL;
+  fft2 = NULL;
+  remap = NULL;
+  cg_dipole = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   called once before run
+------------------------------------------------------------------------- */
+
+void PPPMDipole::init()
+{
+  if (me == 0) {
+    if (screen) fprintf(screen,"PPPMDipole initialization ...\n");
+    if (logfile) fprintf(logfile,"PPPMDipole initialization ...\n");
+  }
+
+  // error check
+
+  dipoleflag = atom->mu?1:0;
+  qsum_qsq(0); // q[i] might not be declared ?
+
+  if (dipoleflag && q2)
+    error->all(FLERR,"Cannot (yet) use charges with Kspace style PPPMDipole");
+
+  triclinic_check();
+
+  if (triclinic != domain->triclinic)
+    error->all(FLERR,"Must redefine kspace_style after changing to triclinic box");
+
+  if (domain->dimension == 2)
+    error->all(FLERR,"Cannot use PPPMDipole with 2d simulation");
+
+  if (comm->style != 0)
+    error->universe_all(FLERR,"PPPMDipole can only currently be used with "
+                        "comm_style brick");
+
+  if (!atom->mu) error->all(FLERR,"Kspace style requires atom attribute mu");
+
+  if (atom->mu && differentiation_flag == 1) error->all(FLERR,"Cannot (yet) use kspace_modify diff"
+       " ad with dipoles");
+
+  if (dipoleflag && strcmp(update->unit_style,"electron") == 0)
+    error->all(FLERR,"Cannot (yet) use 'electron' units with dipoles");
+
+  if (slabflag == 0 && domain->nonperiodic > 0)
+    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDipole");
+  if (slabflag) {
+    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
+        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
+      error->all(FLERR,"Incorrect boundaries with slab PPPMDipole");
+  }
+
+  if (order < 2 || order > MAXORDER) {
+    char str[128];
+    sprintf(str,"PPPMDipole order cannot be < 2 or > than %d",MAXORDER);
+    error->all(FLERR,str);
+  }
+
+  // extract short-range Coulombic cutoff from pair style
+
+  triclinic = domain->triclinic;
+  if (triclinic)
+    error->all(FLERR,"Cannot yet use triclinic cells with PPPMDipole");
+
+  pair_check();
+
+  int itmp = 0;
+  double *p_cutoff = (double *) force->pair->extract("cut_coul",itmp);
+  if (p_cutoff == NULL)
+    error->all(FLERR,"KSpace style is incompatible with Pair style");
+  cutoff = *p_cutoff;
+
+  // kspace TIP4P not yet supported
+  // qdist = offset only for TIP4P fictitious charge
+
+  qdist = 0.0;
+  if (tip4pflag)
+    error->all(FLERR,"Cannot yet use TIP4P with PPPMDipole");
+
+  // compute musum & musqsum and warn if no dipoles
+
+  scale = 1.0;
+  qqrd2e = force->qqrd2e;
+  musum_musq();
+  natoms_original = atom->natoms;
+
+  // set accuracy (force units) from accuracy_relative or accuracy_absolute
+
+  if (accuracy_absolute >= 0.0) accuracy = accuracy_absolute;
+  else accuracy = accuracy_relative * two_charge_force;
+
+  // free all arrays previously allocated
+
+  deallocate();
+  if (peratom_allocate_flag) deallocate_peratom();
+
+  // setup FFT grid resolution and g_ewald
+  // normally one iteration thru while loop is all that is required
+  // if grid stencil does not extend beyond neighbor proc
+  //   or overlap is allowed, then done
+  // else reduce order and try again
+
+  int (*procneigh)[2] = comm->procneigh;
+
+  GridComm *cgtmp = NULL;
+  int iteration = 0;
+
+  while (order >= minorder) {
+    if (iteration && me == 0)
+      error->warning(FLERR,"Reducing PPPMDipole order b/c stencil extends "
+                     "beyond nearest neighbor processor");
+
+    compute_gf_denom();
+    set_grid_global();
+    set_grid_local();
+    if (overlap_allowed) break;
+
+    cgtmp = new GridComm(lmp,world,1,1,
+                         nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                         nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
+                         procneigh[0][0],procneigh[0][1],procneigh[1][0],
+                         procneigh[1][1],procneigh[2][0],procneigh[2][1]);
+    cgtmp->ghost_notify();
+    if (!cgtmp->ghost_overlap()) break;
+    delete cgtmp;
+
+    order--;
+    iteration++;
+  }
+
+  if (order < minorder) error->all(FLERR,"PPPMDipole order < minimum allowed order");
+  if (!overlap_allowed && cgtmp->ghost_overlap())
+    error->all(FLERR,"PPPMDipole grid stencil extends "
+               "beyond nearest neighbor processor");
+  if (cgtmp) delete cgtmp;
+
+  // adjust g_ewald
+
+  if (!gewaldflag) adjust_gewald();
+
+  // calculate the final accuracy
+
+  double estimated_accuracy = final_accuracy_dipole();
+
+  // print stats
+
+  int ngrid_max,nfft_both_max;
+  MPI_Allreduce(&ngrid,&ngrid_max,1,MPI_INT,MPI_MAX,world);
+  MPI_Allreduce(&nfft_both,&nfft_both_max,1,MPI_INT,MPI_MAX,world);
+
+  if (me == 0) {
+
+#ifdef FFT_SINGLE
+    const char fft_prec[] = "single";
+#else
+    const char fft_prec[] = "double";
+#endif
+
+    if (screen) {
+      fprintf(screen,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(screen,"  grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
+      fprintf(screen,"  stencil order = %d\n",order);
+      fprintf(screen,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(screen,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(screen,"  using %s precision FFTs\n",fft_prec);
+      fprintf(screen,"  3d grid and FFT values/proc = %d %d\n",
+              ngrid_max,nfft_both_max);
+    }
+    if (logfile) {
+      fprintf(logfile,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(logfile,"  grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
+      fprintf(logfile,"  stencil order = %d\n",order);
+      fprintf(logfile,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(logfile,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(logfile,"  using %s precision FFTs\n",fft_prec);
+      fprintf(logfile,"  3d grid and FFT values/proc = %d %d\n",
+              ngrid_max,nfft_both_max);
+    }
+  }
+
+  // allocate K-space dependent memory
+  // don't invoke allocate peratom(), will be allocated when needed
+
+  allocate();
+  cg_dipole->ghost_notify();
+  cg_dipole->setup();
+
+  // pre-compute Green's function denomiator expansion
+  // pre-compute 1d charge distribution coefficients
+
+  compute_gf_denom();
+  compute_rho_coeff();
+}
+
+/* ----------------------------------------------------------------------
+   adjust PPPMDipole coeffs, called initially and whenever volume has changed
+------------------------------------------------------------------------- */
+
+void PPPMDipole::setup()
+{
+  // perform some checks to avoid illegal boundaries with read_data
+
+  if (slabflag == 0 && domain->nonperiodic > 0)
+    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDipole");
+  if (slabflag) {
+    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
+        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
+      error->all(FLERR,"Incorrect boundaries with slab PPPMDipole");
+  }
+
+  int i,j,k,n;
+  double *prd;
+
+  // volume-dependent factors
+  // adjust z dimension for 2d slab PPPMDipole
+  // z dimension for 3d PPPMDipole is zprd since slab_volfactor = 1.0
+
+  prd = domain->prd;
+  double xprd = prd[0];
+  double yprd = prd[1];
+  double zprd = prd[2];
+  double zprd_slab = zprd*slab_volfactor;
+  volume = xprd * yprd * zprd_slab;
+
+  delxinv = nx_pppm/xprd;
+  delyinv = ny_pppm/yprd;
+  delzinv = nz_pppm/zprd_slab;
+
+  delvolinv = delxinv*delyinv*delzinv;
+
+  double unitkx = (MY_2PI/xprd);
+  double unitky = (MY_2PI/yprd);
+  double unitkz = (MY_2PI/zprd_slab);
+
+  // fkx,fky,fkz for my FFT grid pts
+
+  double per;
+
+  for (i = nxlo_fft; i <= nxhi_fft; i++) {
+    per = i - nx_pppm*(2*i/nx_pppm);
+    fkx[i] = unitkx*per;
+  }
+
+  for (i = nylo_fft; i <= nyhi_fft; i++) {
+    per = i - ny_pppm*(2*i/ny_pppm);
+    fky[i] = unitky*per;
+  }
+
+  for (i = nzlo_fft; i <= nzhi_fft; i++) {
+    per = i - nz_pppm*(2*i/nz_pppm);
+    fkz[i] = unitkz*per;
+  }
+
+  // virial coefficients
+
+  double sqk,vterm;
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++) {
+    for (j = nylo_fft; j <= nyhi_fft; j++) {
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        sqk = fkx[i]*fkx[i] + fky[j]*fky[j] + fkz[k]*fkz[k];
+        if (sqk == 0.0) {
+          vg[n][0] = 0.0;
+          vg[n][1] = 0.0;
+          vg[n][2] = 0.0;
+          vg[n][3] = 0.0;
+          vg[n][4] = 0.0;
+          vg[n][5] = 0.0;
+        } else {
+          vterm = -2.0 * (1.0/sqk + 0.25/(g_ewald*g_ewald));
+          vg[n][0] = 1.0 + vterm*fkx[i]*fkx[i];
+          vg[n][1] = 1.0 + vterm*fky[j]*fky[j];
+          vg[n][2] = 1.0 + vterm*fkz[k]*fkz[k];
+          vg[n][3] = vterm*fkx[i]*fky[j];
+          vg[n][4] = vterm*fkx[i]*fkz[k];
+          vg[n][5] = vterm*fky[j]*fkz[k];
+        }
+        n++;
+      }
+    }
+  }
+
+  compute_gf_dipole();
+}
+
+/* ----------------------------------------------------------------------
+   reset local grid arrays and communication stencils
+   called by fix balance b/c it changed sizes of processor sub-domains
+------------------------------------------------------------------------- */
+
+void PPPMDipole::setup_grid()
+{
+  // free all arrays previously allocated
+
+  deallocate();
+  if (peratom_allocate_flag) deallocate_peratom();
+
+  // reset portion of global grid that each proc owns
+
+  set_grid_local();
+
+  // reallocate K-space dependent memory
+  // check if grid communication is now overlapping if not allowed
+  // don't invoke allocate peratom(), will be allocated when needed
+
+  allocate();
+
+  cg_dipole->ghost_notify();
+  if (overlap_allowed == 0 && cg_dipole->ghost_overlap())
+    error->all(FLERR,"PPPMDipole grid stencil extends "
+               "beyond nearest neighbor processor");
+  cg_dipole->setup();
+
+  // pre-compute Green's function denomiator expansion
+  // pre-compute 1d charge distribution coefficients
+
+  compute_gf_denom();
+  compute_rho_coeff();
+
+  // pre-compute volume-dependent coeffs
+
+  setup();
+}
+
+/* ----------------------------------------------------------------------
+   compute the PPPMDipole long-range force, energy, virial
+------------------------------------------------------------------------- */
+
+void PPPMDipole::compute(int eflag, int vflag)
+{
+  int i,j;
+
+  // set energy/virial flags
+  // invoke allocate_peratom() if needed for first time
+
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = evflag_atom = eflag_global = vflag_global =
+         eflag_atom = vflag_atom = 0;
+
+  if (vflag_atom)
+    error->all(FLERR,"Cannot (yet) compute per-atom virial "
+                       "with kspace style pppm/dipole");
+
+  if (evflag_atom && !peratom_allocate_flag) {
+    allocate_peratom();
+    cg_peratom_dipole->ghost_notify();
+    cg_peratom_dipole->setup();
+  }
+
+  // if atom count has changed, update qsum and qsqsum
+
+  if (atom->natoms != natoms_original) {
+    musum_musq();
+    natoms_original = atom->natoms;
+  }
+
+  // return if there are no dipoles
+
+  if (musqsum == 0.0) return;
+
+  // convert atoms from box to lamda coords
+
+  boxlo = domain->boxlo;
+
+  // extend size of per-atom arrays if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(part2grid);
+    nmax = atom->nmax;
+    memory->create(part2grid,nmax,3,"pppm_dipole:part2grid");
+  }
+
+  // find grid points for all my particles
+  // map my particle charge onto my local 3d density grid
+
+  particle_map();
+  make_rho_dipole();
+
+  // all procs communicate density values from their ghost cells
+  //   to fully sum contribution in their 3d bricks
+  // remap from 3d decomposition to FFT decomposition
+
+  cg_dipole->reverse_comm(this,REVERSE_MU);
+  brick2fft_dipole();
+
+  // compute potential gradient on my FFT grid and
+  //   portion of e_long on this proc's FFT grid
+  // return gradients (electric fields) in 3d brick decomposition
+  // also performs per-atom calculations via poisson_peratom()
+
+  poisson_ik_dipole();
+
+  // all procs communicate E-field values
+  // to fill ghost cells surrounding their 3d bricks
+
+  cg_dipole->forward_comm(this,FORWARD_MU);
+
+  // extra per-atom energy/virial communication
+
+  if (evflag_atom) {
+    cg_peratom_dipole->forward_comm(this,FORWARD_MU_PERATOM);
+  }
+
+  // calculate the force on my particles
+
+  fieldforce_ik_dipole();
+
+  // extra per-atom energy/virial communication
+
+  if (evflag_atom) fieldforce_peratom_dipole();
+
+  // sum global energy across procs and add in volume-dependent term
+
+  const double qscale = qqrd2e * scale;
+  const double g3 = g_ewald*g_ewald*g_ewald;
+
+  if (eflag_global) {
+    double energy_all;
+    MPI_Allreduce(&energy,&energy_all,1,MPI_DOUBLE,MPI_SUM,world);
+    energy = energy_all;
+
+    energy *= 0.5*volume;
+    energy -= musqsum*2.0*g3/3.0/MY_PIS;
+    energy *= qscale;
+  }
+
+  // sum global virial across procs
+
+  if (vflag_global) {
+    double virial_all[6];
+    MPI_Allreduce(virial,virial_all,6,MPI_DOUBLE,MPI_SUM,world);
+    for (i = 0; i < 6; i++) virial[i] = 0.5*qscale*volume*virial_all[i];
+  }
+
+  // per-atom energy/virial
+  // energy includes self-energy correction
+
+  if (evflag_atom) {
+    double *q = atom->q;
+    double **mu = atom->mu;
+    int nlocal = atom->nlocal;
+    int ntotal = nlocal;
+
+    if (eflag_atom) {
+      for (i = 0; i < nlocal; i++) {
+        eatom[i] *= 0.5;
+        eatom[i] -= (mu[i][0]*mu[i][0] + mu[i][1]*mu[i][1] + mu[i][2]*mu[i][2])*2.0*g3/3.0/MY_PIS;
+        eatom[i] *= qscale;
+      }
+    }
+
+    if (vflag_atom) {
+      for (i = 0; i < nlocal; i++)
+        for (j = 0; j < 6; j++) vatom[i][j] *= 0.5*qscale;
+    }
+  }
+
+  // 2d slab correction
+
+  if (slabflag == 1) slabcorr();
+}
+
+/* ----------------------------------------------------------------------
+   allocate memory that depends on # of K-vectors and order
+------------------------------------------------------------------------- */
+
+void PPPMDipole::allocate()
+{
+  memory->create3d_offset(densityx_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:densityx_brick_dipole");
+  memory->create3d_offset(densityy_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:densityy_brick_dipole");
+  memory->create3d_offset(densityz_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:densityz_brick_dipole");
+
+  memory->create(densityx_fft_dipole,nfft_both,"pppm_dipole:densityy_fft_dipole");
+  memory->create(densityy_fft_dipole,nfft_both,"pppm_dipole:densityy_fft_dipole");
+  memory->create(densityz_fft_dipole,nfft_both,"pppm_dipole:densityz_fft_dipole");
+
+  memory->create(greensfn,nfft_both,"pppm_dipole:greensfn");
+  memory->create(work1,2*nfft_both,"pppm_dipole:work1");
+  memory->create(work2,2*nfft_both,"pppm_dipole:work2");
+  memory->create(work3,2*nfft_both,"pppm_dipole:work3");
+  memory->create(work4,2*nfft_both,"pppm_dipole:work4");
+  memory->create(vg,nfft_both,6,"pppm_dipole:vg");
+
+  memory->create1d_offset(fkx,nxlo_fft,nxhi_fft,"pppm_dipole:fkx");
+  memory->create1d_offset(fky,nylo_fft,nyhi_fft,"pppm_dipole:fky");
+  memory->create1d_offset(fkz,nzlo_fft,nzhi_fft,"pppm_dipole:fkz");
+
+  memory->create3d_offset(ux_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:ux_brick_dipole");
+  memory->create3d_offset(uy_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:uy_brick_dipole");
+  memory->create3d_offset(uz_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:uz_brick_dipole");
+
+  memory->create3d_offset(vdxx_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdxx_brick_dipole");
+  memory->create3d_offset(vdxy_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdxy_brick_dipole");
+  memory->create3d_offset(vdyy_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdyy_brick_dipole");
+  memory->create3d_offset(vdxz_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdxz_brick_dipole");
+  memory->create3d_offset(vdyz_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdyz_brick_dipole");
+  memory->create3d_offset(vdzz_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:vdzz_brick_dipole");
+
+  // summation coeffs
+
+  order_allocated = order;
+  if (!gf_b) memory->create(gf_b,order,"pppm_dipole:gf_b");
+  memory->create2d_offset(rho1d,3,-order/2,order/2,"pppm_dipole:rho1d");
+  memory->create2d_offset(drho1d,3,-order/2,order/2,"pppm_dipole:drho1d");
+  memory->create2d_offset(rho_coeff,order,(1-order)/2,order/2,"pppm_dipole:rho_coeff");
+  memory->create2d_offset(drho_coeff,order,(1-order)/2,order/2,
+                          "pppm_dipole:drho_coeff");
+
+  // create 2 FFTs and a Remap
+  // 1st FFT keeps data in FFT decompostion
+  // 2nd FFT returns data in 3d brick decomposition
+  // remap takes data from 3d brick to FFT decomposition
+
+  int tmp;
+
+  fft1 = new FFT3d(lmp,world,nx_pppm,ny_pppm,nz_pppm,
+                   nxlo_fft,nxhi_fft,nylo_fft,nyhi_fft,nzlo_fft,nzhi_fft,
+                   nxlo_fft,nxhi_fft,nylo_fft,nyhi_fft,nzlo_fft,nzhi_fft,
+                   0,0,&tmp,collective_flag);
+
+  fft2 = new FFT3d(lmp,world,nx_pppm,ny_pppm,nz_pppm,
+                   nxlo_fft,nxhi_fft,nylo_fft,nyhi_fft,nzlo_fft,nzhi_fft,
+                   nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                   0,0,&tmp,collective_flag);
+
+  remap = new Remap(lmp,world,
+                    nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                    nxlo_fft,nxhi_fft,nylo_fft,nyhi_fft,nzlo_fft,nzhi_fft,
+                    1,0,0,FFT_PRECISION,collective_flag);
+
+  // create ghost grid object for rho and electric field communication
+
+  int (*procneigh)[2] = comm->procneigh;
+
+  cg_dipole = new GridComm(lmp,world,9,3,
+                           nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                           nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
+                           procneigh[0][0],procneigh[0][1],procneigh[1][0],
+                           procneigh[1][1],procneigh[2][0],procneigh[2][1]);
+}
+
+/* ----------------------------------------------------------------------
+   deallocate memory that depends on # of K-vectors and order
+------------------------------------------------------------------------- */
+
+void PPPMDipole::deallocate()
+{
+  memory->destroy3d_offset(densityx_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(densityy_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(densityz_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  memory->destroy3d_offset(ux_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(uy_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(uz_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  memory->destroy3d_offset(vdxx_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(vdxy_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(vdyy_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(vdxz_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(vdyz_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(vdzz_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  memory->destroy(densityx_fft_dipole);
+  memory->destroy(densityy_fft_dipole);
+  memory->destroy(densityz_fft_dipole);
+
+  memory->destroy(greensfn);
+  memory->destroy(work1);
+  memory->destroy(work2);
+  memory->destroy(work3);
+  memory->destroy(work4);
+  memory->destroy(vg);
+
+  memory->destroy1d_offset(fkx,nxlo_fft);
+  memory->destroy1d_offset(fky,nylo_fft);
+  memory->destroy1d_offset(fkz,nzlo_fft);
+
+  memory->destroy(gf_b);
+  memory->destroy2d_offset(rho1d,-order_allocated/2);
+  memory->destroy2d_offset(drho1d,-order_allocated/2);
+  memory->destroy2d_offset(rho_coeff,(1-order_allocated)/2);
+  memory->destroy2d_offset(drho_coeff,(1-order_allocated)/2);
+
+  delete fft1;
+  delete fft2;
+  delete remap;
+  delete cg_dipole;
+}
+
+/* ----------------------------------------------------------------------
+   allocate per-atom memory that depends on # of K-vectors and order
+------------------------------------------------------------------------- */
+
+void PPPMDipole::allocate_peratom()
+{
+  peratom_allocate_flag = 1;
+
+  memory->create3d_offset(v0x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v0x_brick_dipole");
+  memory->create3d_offset(v1x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v1x_brick_dipole");
+  memory->create3d_offset(v2x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v2x_brick_dipole");
+  memory->create3d_offset(v3x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v3x_brick_dipole");
+  memory->create3d_offset(v4x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v4x_brick_dipole");
+  memory->create3d_offset(v5x_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v5x_brick_dipole");
+
+  memory->create3d_offset(v0y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v0y_brick_dipole");
+  memory->create3d_offset(v1y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v1y_brick_dipole");
+  memory->create3d_offset(v2y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v2y_brick_dipole");
+  memory->create3d_offset(v3y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v3y_brick_dipole");
+  memory->create3d_offset(v4y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v4y_brick_dipole");
+  memory->create3d_offset(v5y_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v5y_brick_dipole");
+
+  memory->create3d_offset(v0z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v0z_brick_dipole");
+  memory->create3d_offset(v1z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v1z_brick_dipole");
+  memory->create3d_offset(v2z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v2z_brick_dipole");
+  memory->create3d_offset(v3z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v3z_brick_dipole");
+  memory->create3d_offset(v4z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v4z_brick_dipole");
+  memory->create3d_offset(v5z_brick_dipole,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+                          nxlo_out,nxhi_out,"pppm_dipole:v5z_brick_dipole");
+
+  // create ghost grid object for rho and electric field communication
+
+  int (*procneigh)[2] = comm->procneigh;
+
+  cg_peratom_dipole =
+    new GridComm(lmp,world,18,1,
+                 nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                 nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
+                 procneigh[0][0],procneigh[0][1],procneigh[1][0],
+                 procneigh[1][1],procneigh[2][0],procneigh[2][1]);
+}
+
+/* ----------------------------------------------------------------------
+   deallocate per-atom memory that depends on # of K-vectors and order
+------------------------------------------------------------------------- */
+
+void PPPMDipole::deallocate_peratom()
+{
+  peratom_allocate_flag = 0;
+
+  memory->destroy3d_offset(v0x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v1x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v2x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v3x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v4x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v5x_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  memory->destroy3d_offset(v0y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v1y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v2y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v3y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v4y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v5y_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  memory->destroy3d_offset(v0z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v1z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v2z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v3z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v4z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+  memory->destroy3d_offset(v5z_brick_dipole,nzlo_out,nylo_out,nxlo_out);
+
+  delete cg_peratom_dipole;
+}
+
+/* ----------------------------------------------------------------------
+   set global size of PPPMDipole grid = nx,ny,nz_pppm
+   used for charge accumulation, FFTs, and electric field interpolation
+------------------------------------------------------------------------- */
+
+void PPPMDipole::set_grid_global()
+{
+  // use xprd,yprd,zprd
+  // adjust z dimension for 2d slab PPPMDipole
+  // 3d PPPMDipole just uses zprd since slab_volfactor = 1.0
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  double zprd_slab = zprd*slab_volfactor;
+
+  // make initial g_ewald estimate
+  // based on desired accuracy and real space cutoff
+  // fluid-occupied volume used to estimate real-space error
+  // zprd used rather than zprd_slab
+
+  double h;
+  bigint natoms = atom->natoms;
+
+  if (!gewaldflag) {
+    if (accuracy <= 0.0)
+      error->all(FLERR,"KSpace accuracy must be > 0");
+    if (mu2 == 0.0)
+     error->all(FLERR,"Must use kspace_modify gewald for systems with no dipoles");
+    g_ewald = (1.35 - 0.15*log(accuracy))/cutoff;
+    double g_ewald_new =
+      find_gewald_dipole(g_ewald,cutoff,natoms,xprd*yprd*zprd,mu2);
+    if (g_ewald_new > 0.0) g_ewald = g_ewald_new;
+    else error->warning(FLERR,"PPPMDipole dipole Newton solver failed, "
+                        "using old method to estimate g_ewald");
+  }
+
+  // set optimal nx_pppm,ny_pppm,nz_pppm based on order and accuracy
+  // nz_pppm uses extended zprd_slab instead of zprd
+  // reduce it until accuracy target is met
+
+  if (!gridflag) {
+
+    h = h_x = h_y = h_z = 4.0/g_ewald;
+    int count = 0;
+    while (1) {
+
+      // set grid dimension
+      
+      nx_pppm = static_cast<int> (xprd/h_x);
+      ny_pppm = static_cast<int> (yprd/h_y);
+      nz_pppm = static_cast<int> (zprd_slab/h_z);
+
+      if (nx_pppm <= 1) nx_pppm = 2;
+      if (ny_pppm <= 1) ny_pppm = 2;
+      if (nz_pppm <= 1) nz_pppm = 2;
+
+      // set local grid dimension
+      
+      int npey_fft,npez_fft;
+      if (nz_pppm >= nprocs) {
+        npey_fft = 1;
+        npez_fft = nprocs;
+      } else procs2grid2d(nprocs,ny_pppm,nz_pppm,&npey_fft,&npez_fft);
+
+      int me_y = me % npey_fft;
+      int me_z = me / npey_fft;
+
+      nxlo_fft = 0;
+      nxhi_fft = nx_pppm - 1;
+      nylo_fft = me_y*ny_pppm/npey_fft;
+      nyhi_fft = (me_y+1)*ny_pppm/npey_fft - 1;
+      nzlo_fft = me_z*nz_pppm/npez_fft;
+      nzhi_fft = (me_z+1)*nz_pppm/npez_fft - 1;
+
+      double df_kspace = compute_df_kspace_dipole();
+
+      count++;
+
+      // break loop if the accuracy has been reached or
+      // too many loops have been performed
+
+      if (df_kspace <= accuracy) break;
+      if (count > 500) error->all(FLERR, "Could not compute grid size");
+      h *= 0.95;
+      h_x = h_y = h_z = h;
+    }
+  }
+
+  // boost grid size until it is factorable
+
+  while (!factorable(nx_pppm)) nx_pppm++;
+  while (!factorable(ny_pppm)) ny_pppm++;
+  while (!factorable(nz_pppm)) nz_pppm++;
+
+  h_x = xprd/nx_pppm;
+  h_y = yprd/ny_pppm;
+  h_z = zprd_slab/nz_pppm;
+
+  if (nx_pppm >= OFFSET || ny_pppm >= OFFSET || nz_pppm >= OFFSET)
+    error->all(FLERR,"PPPMDipole grid is too large");
+}
+
+
+/* ----------------------------------------------------------------------
+   compute estimated kspace force error for dipoles
+------------------------------------------------------------------------- */
+
+double PPPMDipole::compute_df_kspace_dipole()
+{
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  double zprd_slab = zprd*slab_volfactor;
+  bigint natoms = atom->natoms;
+  double qopt = compute_qopt_dipole();
+  double df_kspace = sqrt(qopt/natoms)*mu2/(3.0*xprd*yprd*zprd_slab);
+  return df_kspace;
+}
+
+/* ----------------------------------------------------------------------
+   compute qopt for dipoles with ik differentiation
+------------------------------------------------------------------------- */
+
+double PPPMDipole::compute_qopt_dipole()
+{
+  double qopt = 0.0;
+  const double * const prd = domain->prd;
+
+  const double xprd = prd[0];
+  const double yprd = prd[1];
+  const double zprd = prd[2];
+  const double zprd_slab = zprd*slab_volfactor;
+  const double unitkx = (MY_2PI/xprd);
+  const double unitky = (MY_2PI/yprd);
+  const double unitkz = (MY_2PI/zprd_slab);
+
+  double snx,sny,snz;
+  double cnx,cny,cnz;
+  double argx,argy,argz,wx,wy,wz,sx,sy,sz,qx,qy,qz;
+  double sum1,sum2,dot1,dot2;
+  double numerator,denominator;
+  double u1,u2,u3,sqk;
+
+  int k,l,m,nx,ny,nz,kper,lper,mper;
+
+  const int nbx = 2;
+  const int nby = 2;
+  const int nbz = 2;
+
+  const int twoorder = 2*order;
+
+  for (m = nzlo_fft; m <= nzhi_fft; m++) {
+    mper = m - nz_pppm*(2*m/nz_pppm);
+    snz = square(sin(0.5*unitkz*mper*zprd_slab/nz_pppm));
+    cnz = cos(0.5*unitkz*mper*zprd_slab/nz_pppm);
+
+    for (l = nylo_fft; l <= nyhi_fft; l++) {
+      lper = l - ny_pppm*(2*l/ny_pppm);
+      sny = square(sin(0.5*unitky*lper*yprd/ny_pppm));
+      cny = cos(0.5*unitky*lper*yprd/ny_pppm);
+
+      for (k = nxlo_fft; k <= nxhi_fft; k++) {
+        kper = k - nx_pppm*(2*k/nx_pppm);
+        snx = square(sin(0.5*unitkx*kper*xprd/nx_pppm));
+        cnx = cos(0.5*unitkx*kper*xprd/nx_pppm);
+
+        sqk = square(unitkx*kper) + square(unitky*lper) + square(unitkz*mper);
+
+        if (sqk != 0.0) {
+          numerator = MY_4PI/sqk;
+          denominator = gf_denom(snx,sny,snz);
+          sum1 = 0.0;
+          sum2 = 0.0;
+
+          for (nx = -nbx; nx <= nbx; nx++) {
+            qx = unitkx*(kper+nx_pppm*nx);
+            sx = exp(-0.25*square(qx/g_ewald));
+            argx = 0.5*qx*xprd/nx_pppm;
+            wx = powsinxx(argx,twoorder);
+
+            for (ny = -nby; ny <= nby; ny++) {
+              qy = unitky*(lper+ny_pppm*ny);
+              sy = exp(-0.25*square(qy/g_ewald));
+              argy = 0.5*qy*yprd/ny_pppm;
+              wy = powsinxx(argy,twoorder);
+
+              for (nz = -nbz; nz <= nbz; nz++) {
+                qz = unitkz*(mper+nz_pppm*nz);
+                sz = exp(-0.25*square(qz/g_ewald));
+                argz = 0.5*qz*zprd_slab/nz_pppm;
+                wz = powsinxx(argz,twoorder);
+
+                dot1 = unitkx*kper*qx + unitky*lper*qy + unitkz*mper*qz;
+                dot2 = qx*qx + qy*qy + qz*qz;
+                //dot1 = dot1*dot1*dot1; // power of 3 for dipole forces
+                //dot2 = dot2*dot2*dot2;
+                u1 = sx*sy*sz;
+                const double w2 = wx*wy*wz;
+                const double phi = u1*MY_4PI/dot2;
+                const double top = dot1*dot1*dot1*w2*phi;
+                sum1 += phi*phi*dot2*dot2*dot2;
+                sum2 += top*top/sqk/sqk/sqk;
+              }
+            }
+          }
+          qopt += sum1 - sum2/denominator;
+        }
+      }
+    }
+  }
+  double qopt_all;
+  MPI_Allreduce(&qopt,&qopt_all,1,MPI_DOUBLE,MPI_SUM,world);
+  return qopt_all;
+}
+
+/* ----------------------------------------------------------------------
+   pre-compute modified (Hockney-Eastwood) Coulomb Green's function
+------------------------------------------------------------------------- */
+
+void PPPMDipole::compute_gf_dipole()
+{
+  const double * const prd = domain->prd;
+
+  const double xprd = prd[0];
+  const double yprd = prd[1];
+  const double zprd = prd[2];
+  const double zprd_slab = zprd*slab_volfactor;
+  const double unitkx = (MY_2PI/xprd);
+  const double unitky = (MY_2PI/yprd);
+  const double unitkz = (MY_2PI/zprd_slab);
+
+  double snx,sny,snz;
+  double cnx,cny,cnz;
+  double argx,argy,argz,wx,wy,wz,sx,sy,sz,qx,qy,qz;
+  double sum1,dot1,dot2;
+  double numerator,denominator;
+  double sqk;
+
+  int k,l,m,n,nx,ny,nz,kper,lper,mper;
+
+  int nbx = static_cast<int> ((g_ewald*xprd/(MY_PI*nx_pppm)) *
+                              pow(-log(EPS_HOC),0.25));
+  int nby = static_cast<int> ((g_ewald*yprd/(MY_PI*ny_pppm)) *
+                              pow(-log(EPS_HOC),0.25));
+  int nbz = static_cast<int> ((g_ewald*zprd_slab/(MY_PI*nz_pppm)) *
+                              pow(-log(EPS_HOC),0.25));
+  nbx = MAX(nbx,2);
+  nby = MAX(nby,2);
+  nbz = MAX(nbz,2);
+  const int twoorder = 2*order;
+
+  n = 0;
+  for (m = nzlo_fft; m <= nzhi_fft; m++) {
+    mper = m - nz_pppm*(2*m/nz_pppm);
+    snz = square(sin(0.5*unitkz*mper*zprd_slab/nz_pppm));
+    cnz = cos(0.5*unitkz*mper*zprd_slab/nz_pppm);
+
+    for (l = nylo_fft; l <= nyhi_fft; l++) {
+      lper = l - ny_pppm*(2*l/ny_pppm);
+      sny = square(sin(0.5*unitky*lper*yprd/ny_pppm));
+      cny = cos(0.5*unitky*lper*yprd/ny_pppm);
+
+      for (k = nxlo_fft; k <= nxhi_fft; k++) {
+        kper = k - nx_pppm*(2*k/nx_pppm);
+        snx = square(sin(0.5*unitkx*kper*xprd/nx_pppm));
+        cnx = cos(0.5*unitkx*kper*xprd/nx_pppm);
+
+        sqk = square(unitkx*kper) + square(unitky*lper) + square(unitkz*mper);
+
+        if (sqk != 0.0) {
+          numerator = MY_4PI/sqk;
+          denominator = gf_denom(snx,sny,snz);
+          sum1 = 0.0;
+
+          for (nx = -nbx; nx <= nbx; nx++) {
+            qx = unitkx*(kper+nx_pppm*nx);
+            sx = exp(-0.25*square(qx/g_ewald));
+            argx = 0.5*qx*xprd/nx_pppm;
+            wx = powsinxx(argx,twoorder);
+
+            for (ny = -nby; ny <= nby; ny++) {
+              qy = unitky*(lper+ny_pppm*ny);
+              sy = exp(-0.25*square(qy/g_ewald));
+              argy = 0.5*qy*yprd/ny_pppm;
+              wy = powsinxx(argy,twoorder);
+
+              for (nz = -nbz; nz <= nbz; nz++) {
+                qz = unitkz*(mper+nz_pppm*nz);
+                sz = exp(-0.25*square(qz/g_ewald));
+                argz = 0.5*qz*zprd_slab/nz_pppm;
+                wz = powsinxx(argz,twoorder);
+
+                dot1 = unitkx*kper*qx + unitky*lper*qy + unitkz*mper*qz;
+                dot2 = qx*qx + qy*qy + qz*qz;
+                const double u1 = sx*sy*sz;
+                const double w2 = wx*wy*wz;
+                const double phi = u1*MY_4PI/dot2;
+                sum1 += dot1*dot1*dot1*w2*phi/sqk/sqk/sqk;
+              }
+            }
+          }
+          greensfn[n++] = sum1/denominator;
+        } else greensfn[n++] = 0.0;
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   calculate f(x) for use in Newton-Raphson solver
+------------------------------------------------------------------------- */
+
+double PPPMDipole::newton_raphson_f()
+{
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  bigint natoms = atom->natoms;
+
+  double df_rspace,df_kspace;
+  double vol = xprd*yprd*zprd;
+  double a = cutoff*g_ewald;
+  double rg2 = a*a;
+  double rg4 = rg2*rg2;
+  double rg6 = rg4*rg2;
+  double Cc = 4.0*rg4 + 6.0*rg2 + 3.0;
+  double Dc = 8.0*rg6 + 20.0*rg4 + 30.0*rg2 + 15.0;
+  df_rspace = (mu2/(sqrt(vol*powint(g_ewald,4)*powint(cutoff,9)*natoms)) *
+      sqrt(13.0/6.0*Cc*Cc + 2.0/15.0*Dc*Dc - 13.0/15.0*Cc*Dc) * exp(-rg2));
+  df_kspace = compute_df_kspace_dipole();
+
+  return df_rspace - df_kspace;
+}
+
+/* ----------------------------------------------------------------------
+   find g_ewald parameter for dipoles based on desired accuracy
+   using a Newton-Raphson solver
+------------------------------------------------------------------------- */
+
+double PPPMDipole::find_gewald_dipole(double x, double Rc,
+                              bigint natoms, double vol, double b2)
+{
+  double dx,tol;
+  int maxit;
+
+  maxit = 10000; //Maximum number of iterations
+  tol = 0.00001; //Convergence tolerance
+
+  //Begin algorithm
+
+  for (int i = 0; i < maxit; i++) {
+    dx = newton_raphson_f_dipole(x,Rc,natoms,vol,b2) / derivf_dipole(x,Rc,natoms,vol,b2);
+    x = x - dx; //Update x
+    if (fabs(dx) < tol) return x;
+    if (x < 0 || x != x) // solver failed
+      return -1;
+  }
+  return -1;
+}
+
+/* ----------------------------------------------------------------------
+   calculate f(x) objective function for dipoles
+ ------------------------------------------------------------------------- */
+
+double PPPMDipole::newton_raphson_f_dipole(double x, double Rc, bigint
+natoms, double vol, double b2)
+{
+  double a = Rc*x;
+  double rg2 = a*a;
+  double rg4 = rg2*rg2;
+  double rg6 = rg4*rg2;
+  double Cc = 4.0*rg4 + 6.0*rg2 + 3.0;
+  double Dc = 8.0*rg6 + 20.0*rg4 + 30.0*rg2 + 15.0;
+  double f = (b2/(sqrt(vol*powint(x,4)*powint(Rc,9)*natoms)) *
+    sqrt(13.0/6.0*Cc*Cc + 2.0/15.0*Dc*Dc - 13.0/15.0*Cc*Dc) *
+    exp(-rg2)) - accuracy;
+
+  return f;
+}
+
+/* ----------------------------------------------------------------------
+   calculate numerical derivative f'(x) of objective function for dipoles
+ ------------------------------------------------------------------------- */
+
+double PPPMDipole::derivf_dipole(double x, double Rc,
+                         bigint natoms, double vol, double b2)
+{
+  double h = 0.000001;  //Derivative step-size
+  return (newton_raphson_f_dipole(x + h,Rc,natoms,vol,b2) - newton_raphson_f_dipole(x,Rc,natoms,vol,b2)) / h;
+}
+
+/* ----------------------------------------------------------------------
+   calculate the final estimate of the accuracy
+------------------------------------------------------------------------- */
+
+double PPPMDipole::final_accuracy_dipole()
+{
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  double vol = xprd*yprd*zprd;
+  bigint natoms = atom->natoms;
+  if (natoms == 0) natoms = 1; // avoid division by zero
+
+  double df_kspace = compute_df_kspace_dipole();
+
+  double a = cutoff*g_ewald;
+  double rg2 = a*a;
+  double rg4 = rg2*rg2;
+  double rg6 = rg4*rg2;
+  double Cc = 4.0*rg4 + 6.0*rg2 + 3.0;
+  double Dc = 8.0*rg6 + 20.0*rg4 + 30.0*rg2 + 15.0;
+  double df_rspace = (mu2/(sqrt(vol*powint(g_ewald,4)*powint(cutoff,9)*natoms)) *
+    sqrt(13.0/6.0*Cc*Cc + 2.0/15.0*Dc*Dc - 13.0/15.0*Cc*Dc) *
+    exp(-rg2));
+
+  double estimated_accuracy = sqrt(df_kspace*df_kspace + df_rspace*df_rspace);
+
+  return estimated_accuracy;
+}
+
+/* ----------------------------------------------------------------------
+   pre-compute Green's function denominator expansion coeffs, Gamma(2n)
+------------------------------------------------------------------------- */
+
+void PPPMDipole::compute_gf_denom()
+{
+  if (gf_b) memory->destroy(gf_b);
+  memory->create(gf_b,order,"pppm_dipole:gf_b");
+
+  int k,l,m;
+
+  for (l = 1; l < order; l++) gf_b[l] = 0.0;
+  gf_b[0] = 1.0;
+
+  for (m = 1; m < order; m++) {
+    for (l = m; l > 0; l--)
+      gf_b[l] = 4.0 * (gf_b[l]*(l-m)*(l-m-0.5)-gf_b[l-1]*(l-m-1)*(l-m-1));
+    gf_b[0] = 4.0 * (gf_b[0]*(l-m)*(l-m-0.5));
+  }
+
+  bigint ifact = 1;
+  for (k = 1; k < 2*order; k++) ifact *= k;
+  double gaminv = 1.0/ifact;
+  for (l = 0; l < order; l++) gf_b[l] *= gaminv;
+}
+
+/* ----------------------------------------------------------------------
+   create discretized "density" on section of global grid due to my particles
+   density(x,y,z) = charge "density" at grid points of my 3d brick
+   (nxlo:nxhi,nylo:nyhi,nzlo:nzhi) is extent of my brick (including ghosts)
+   in global grid
+------------------------------------------------------------------------- */
+
+void PPPMDipole::make_rho_dipole()
+{
+  int l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz;
+  FFT_SCALAR x0,y0,z0;
+  FFT_SCALAR x1,y1,z1;
+  FFT_SCALAR x2,y2,z2;
+
+  // clear 3d density array
+
+  memset(&(densityx_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+  memset(&(densityy_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+  memset(&(densityz_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+
+  // loop over my charges, add their contribution to nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+  double **mu = atom->mu;
+  double **x = atom->x;
+  int nlocal = atom->nlocal;
+
+  for (int i = 0; i < nlocal; i++) {
+
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    z0 = delvolinv * mu[i][0];
+    z1 = delvolinv * mu[i][1];
+    z2 = delvolinv * mu[i][2];
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      y0 = z0*rho1d[2][n];
+      y1 = z1*rho1d[2][n];
+      y2 = z2*rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        x0 = y0*rho1d[1][m];
+        x1 = y1*rho1d[1][m];
+        x2 = y2*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          densityx_brick_dipole[mz][my][mx] += x0*rho1d[0][l];
+          densityy_brick_dipole[mz][my][mx] += x1*rho1d[0][l];
+          densityz_brick_dipole[mz][my][mx] += x2*rho1d[0][l];
+        }
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   remap density from 3d brick decomposition to FFT decomposition
+------------------------------------------------------------------------- */
+
+void PPPMDipole::brick2fft_dipole()
+{
+  int n,ix,iy,iz;
+
+  // copy grabs inner portion of density from 3d brick
+  // remap could be done as pre-stage of FFT,
+  //   but this works optimally on only double values, not complex values
+
+  n = 0;
+  for (iz = nzlo_in; iz <= nzhi_in; iz++)
+    for (iy = nylo_in; iy <= nyhi_in; iy++)
+      for (ix = nxlo_in; ix <= nxhi_in; ix++) {
+        densityx_fft_dipole[n] = densityx_brick_dipole[iz][iy][ix];
+        densityy_fft_dipole[n] = densityy_brick_dipole[iz][iy][ix];
+        densityz_fft_dipole[n] = densityz_brick_dipole[iz][iy][ix];
+        n++;
+      }
+
+  remap->perform(densityx_fft_dipole,densityx_fft_dipole,work1);
+  remap->perform(densityy_fft_dipole,densityy_fft_dipole,work1);
+  remap->perform(densityz_fft_dipole,densityz_fft_dipole,work1);
+}
+
+/* ----------------------------------------------------------------------
+   FFT-based Poisson solver for ik
+------------------------------------------------------------------------- */
+
+void PPPMDipole::poisson_ik_dipole()
+{
+  int i,j,k,n,ii;
+  double eng;
+  double wreal,wimg;
+
+  // transform dipole density (r -> k)
+
+  n = 0;
+  for (i = 0; i < nfft; i++) {
+    work1[n] = densityx_fft_dipole[i];
+    work1[n+1] = ZEROF;
+    work2[n] = densityy_fft_dipole[i];
+    work2[n+1] = ZEROF;
+    work3[n] = densityz_fft_dipole[i];
+    work3[n+1] = ZEROF;
+    n += 2;
+  }
+
+  fft1->compute(work1,work1,1);
+  fft1->compute(work2,work2,1);
+  fft1->compute(work3,work3,1);
+
+  // global energy and virial contribution
+
+  double scaleinv = 1.0/(nx_pppm*ny_pppm*nz_pppm);
+  double s2 = scaleinv*scaleinv;
+
+  if (eflag_global || vflag_global) {
+    if (vflag_global) {
+      n = 0;
+      ii = 0;
+      for (k = nzlo_fft; k <= nzhi_fft; k++)
+        for (j = nylo_fft; j <= nyhi_fft; j++)
+          for (i = nxlo_fft; i <= nxhi_fft; i++) {
+            wreal = (work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+            wimg = (work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+            eng = s2 * greensfn[ii] * (wreal*wreal + wimg*wimg);
+            for (int jj = 0; jj < 6; jj++) virial[jj] += eng*vg[ii][jj];
+            virial[0] += 2.0*s2*greensfn[ii]*fkx[i]*(work1[n]*wreal + work1[n+1]*wimg);
+            virial[1] += 2.0*s2*greensfn[ii]*fky[j]*(work2[n]*wreal + work2[n+1]*wimg);
+            virial[2] += 2.0*s2*greensfn[ii]*fkz[k]*(work3[n]*wreal + work3[n+1]*wimg);
+            virial[3] += 2.0*s2*greensfn[ii]*fky[j]*(work1[n]*wreal + work1[n+1]*wimg);
+            virial[4] += 2.0*s2*greensfn[ii]*fkz[k]*(work1[n]*wreal + work1[n+1]*wimg);
+            virial[5] += 2.0*s2*greensfn[ii]*fkz[k]*(work2[n]*wreal + work2[n+1]*wimg);
+            if (eflag_global) energy += eng;
+            ii++;
+            n += 2;
+          }
+    } else {
+      n = 0;
+      ii = 0;
+      for (k = nzlo_fft; k <= nzhi_fft; k++)
+        for (j = nylo_fft; j <= nyhi_fft; j++)
+          for (i = nxlo_fft; i <= nxhi_fft; i++) {
+            wreal = (work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+            wimg = (work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+            energy +=
+            s2 * greensfn[ii] * (wreal*wreal + wimg*wimg);
+   ii++;
+            n += 2;
+          }
+    }
+  }
+
+  // scale by 1/total-grid-pts to get rho(k)
+  // multiply by Green's function to get V(k)
+
+  n = 0;
+  for (i = 0; i < nfft; i++) {
+    work1[n]   *= scaleinv * greensfn[i];
+    work1[n+1] *= scaleinv * greensfn[i];
+    work2[n]   *= scaleinv * greensfn[i];
+    work2[n+1] *= scaleinv * greensfn[i];
+    work3[n]   *= scaleinv * greensfn[i];
+    work3[n+1] *= scaleinv * greensfn[i];
+    n += 2;
+  }
+
+  // extra FFTs for per-atom energy/virial
+
+  if (vflag_atom) poisson_peratom_dipole();
+
+  // compute electric potential
+  // FFT leaves data in 3d brick decomposition
+
+  // Ex
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        work4[n+1] = fkx[i]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        ux_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Ey
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        work4[n+1] = fky[j]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        uy_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Ez
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        work4[n+1] = fkz[k]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        uz_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vxx
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*fkx[i]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fkx[i]*fkx[i]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdxx_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vyy
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*fky[j]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fky[j]*fky[j]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdyy_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vzz
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*fkz[k]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fkz[k]*fkz[k]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdzz_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vxy
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*fky[j]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fkx[i]*fky[j]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdxy_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vxz
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*fkz[k]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fkx[i]*fkz[k]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdxz_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // Vyz
+
+  n = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*fkz[k]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+        work4[n+1] = -fky[j]*fkz[k]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]);
+        n += 2;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        vdyz_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+}
+
+/* ----------------------------------------------------------------------
+   FFT-based Poisson solver for per-atom energy/virial
+------------------------------------------------------------------------- */
+
+void PPPMDipole::poisson_peratom_dipole()
+{
+  int i,ii,j,k,n;
+
+  // 18 components of virial in v0 thru v5
+
+  if (!vflag_atom) return;
+
+  // V0x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+        work4[n+1] = fkx[i]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v0x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V0y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+        work4[n+1] = fky[j]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v0y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V0z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+        work4[n+1] = fkz[k]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v0z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V1x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+        work4[n+1] = fkx[i]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v1x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V1y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+        work4[n+1] = fky[j]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v1y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V1z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+        work4[n+1] = fkz[k]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v1z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V2x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+        work4[n+1] = fkx[i]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v2x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V2y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+        work4[n+1] = fky[j]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v2y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V2z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+        work4[n+1] = fkz[k]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v2z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V3x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+        work4[n+1] = fkx[i]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v3x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V3y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+        work4[n+1] = fky[j]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v3y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V3z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+        work4[n+1] = fkz[k]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v3z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V4x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+        work4[n+1] = fkx[i]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v4x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V4y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+        work4[n+1] = fky[j]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v4y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V4z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+        work4[n+1] = fkz[k]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v4z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V5x
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkx[i]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+        work4[n+1] = fkx[i]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v5x_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V5y
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fky[j]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+        work4[n+1] = fky[j]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v5y_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+
+  // V5z
+
+  n = 0;
+  ii = 0;
+  for (k = nzlo_fft; k <= nzhi_fft; k++)
+    for (j = nylo_fft; j <= nyhi_fft; j++)
+      for (i = nxlo_fft; i <= nxhi_fft; i++) {
+        work4[n] = fkz[k]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] + work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+        work4[n+1] = fkz[k]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+        n += 2;
+        ii++;
+      }
+
+  fft2->compute(work4,work4,-1);
+
+  n = 0;
+  for (k = nzlo_in; k <= nzhi_in; k++)
+    for (j = nylo_in; j <= nyhi_in; j++)
+      for (i = nxlo_in; i <= nxhi_in; i++) {
+        v5z_brick_dipole[k][j][i] = work4[n];
+        n += 2;
+      }
+}
+
+/* ----------------------------------------------------------------------
+   interpolate from grid to get electric field & force on my particles for ik
+------------------------------------------------------------------------- */
+
+void PPPMDipole::fieldforce_ik_dipole()
+{
+  int i,l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz;
+  FFT_SCALAR x0,y0,z0;
+  FFT_SCALAR ex,ey,ez;
+  FFT_SCALAR vxx,vyy,vzz,vxy,vxz,vyz;
+
+  // loop over my charges, interpolate electric field from nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+
+  double **mu = atom->mu;
+  double **x = atom->x;
+  double **f = atom->f;
+  double **t = atom->torque;
+
+  int nlocal = atom->nlocal;
+
+  for (i = 0; i < nlocal; i++) {
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    ex = ey = ez = ZEROF;
+    vxx = vyy = vzz = vxy = vxz = vyz = ZEROF;
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      z0 = rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        y0 = z0*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          x0 = y0*rho1d[0][l];
+          ex -= x0*ux_brick_dipole[mz][my][mx];
+          ey -= x0*uy_brick_dipole[mz][my][mx];
+          ez -= x0*uz_brick_dipole[mz][my][mx];
+          vxx -= x0*vdxx_brick_dipole[mz][my][mx];
+          vyy -= x0*vdyy_brick_dipole[mz][my][mx];
+          vzz -= x0*vdzz_brick_dipole[mz][my][mx];
+          vxy -= x0*vdxy_brick_dipole[mz][my][mx];
+          vxz -= x0*vdxz_brick_dipole[mz][my][mx];
+          vyz -= x0*vdyz_brick_dipole[mz][my][mx];
+        }
+      }
+    }
+
+    // convert E-field to torque
+
+    const double mufactor = qqrd2e * scale;
+    f[i][0] += mufactor*(vxx*mu[i][0] + vxy*mu[i][1] + vxz*mu[i][2]);
+    f[i][1] += mufactor*(vxy*mu[i][0] + vyy*mu[i][1] + vyz*mu[i][2]);
+    f[i][2] += mufactor*(vxz*mu[i][0] + vyz*mu[i][1] + vzz*mu[i][2]);
+
+    t[i][0] += mufactor*(mu[i][1]*ez - mu[i][2]*ey);
+    t[i][1] += mufactor*(mu[i][2]*ex - mu[i][0]*ez);
+    t[i][2] += mufactor*(mu[i][0]*ey - mu[i][1]*ex);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   interpolate from grid to get per-atom energy/virial
+------------------------------------------------------------------------- */
+
+void PPPMDipole::fieldforce_peratom_dipole()
+{
+  int i,l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz,x0,y0,z0;
+  FFT_SCALAR ux,uy,uz;
+  FFT_SCALAR v0x,v1x,v2x,v3x,v4x,v5x;
+  FFT_SCALAR v0y,v1y,v2y,v3y,v4y,v5y;
+  FFT_SCALAR v0z,v1z,v2z,v3z,v4z,v5z;
+
+  // loop over my charges, interpolate from nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+  double **mu = atom->mu;
+  double **x = atom->x;
+
+  int nlocal = atom->nlocal;
+
+  for (i = 0; i < nlocal; i++) {
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    ux = uy = uz = ZEROF;
+    v0x = v1x = v2x = v3x = v4x = v5x = ZEROF;
+    v0y = v1y = v2y = v3y = v4y = v5y = ZEROF;
+    v0z = v1z = v2z = v3z = v4z = v5z = ZEROF;
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      z0 = rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        y0 = z0*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          x0 = y0*rho1d[0][l];
+          if (eflag_atom) {
+            ux += x0*ux_brick_dipole[mz][my][mx];
+            uy += x0*uy_brick_dipole[mz][my][mx];
+            uz += x0*uz_brick_dipole[mz][my][mx];
+          }
+          if (vflag_atom) {
+            v0x += x0*v0x_brick_dipole[mz][my][mx];
+            v1x += x0*v1x_brick_dipole[mz][my][mx];
+            v2x += x0*v2x_brick_dipole[mz][my][mx];
+            v3x += x0*v3x_brick_dipole[mz][my][mx];
+            v4x += x0*v4x_brick_dipole[mz][my][mx];
+            v5x += x0*v5x_brick_dipole[mz][my][mx];
+            v0y += x0*v0y_brick_dipole[mz][my][mx];
+            v1y += x0*v1y_brick_dipole[mz][my][mx];
+            v2y += x0*v2y_brick_dipole[mz][my][mx];
+            v3y += x0*v3y_brick_dipole[mz][my][mx];
+            v4y += x0*v4y_brick_dipole[mz][my][mx];
+            v5y += x0*v5y_brick_dipole[mz][my][mx];
+            v0z += x0*v0z_brick_dipole[mz][my][mx];
+            v1z += x0*v1z_brick_dipole[mz][my][mx];
+            v2z += x0*v2z_brick_dipole[mz][my][mx];
+            v3z += x0*v3z_brick_dipole[mz][my][mx];
+            v4z += x0*v4z_brick_dipole[mz][my][mx];
+            v5z += x0*v5z_brick_dipole[mz][my][mx];
+          }
+        }
+      }
+    }
+
+    if (eflag_atom) eatom[i] += mu[i][0]*ux + mu[i][1]*uy + mu[i][2]*uz;
+    if (vflag_atom) {
+      vatom[i][0] += mu[i][0]*v0x + mu[i][1]*v0y + mu[i][2]*v0z;
+      vatom[i][1] += mu[i][0]*v1x + mu[i][1]*v1y + mu[i][2]*v1z;
+      vatom[i][2] += mu[i][0]*v2x + mu[i][1]*v2y + mu[i][2]*v2z;
+      vatom[i][3] += mu[i][0]*v3x + mu[i][1]*v3y + mu[i][2]*v3z;
+      vatom[i][4] += mu[i][0]*v4x + mu[i][1]*v4y + mu[i][2]*v4z;
+      vatom[i][5] += mu[i][0]*v5x + mu[i][1]*v5y + mu[i][2]*v5z;
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   pack own values to buf to send to another proc
+------------------------------------------------------------------------- */
+
+void PPPMDipole::pack_forward(int flag, FFT_SCALAR *buf, int nlist, int *list)
+{
+  int n = 0;
+
+  if (flag == FORWARD_MU) {
+    FFT_SCALAR *src_ux = &ux_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_uy = &uy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_uz = &uz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vxx = &vdxx_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vyy = &vdyy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vzz = &vdzz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vxy = &vdxy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vxz = &vdxz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_vyz = &vdyz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      buf[n++] = src_ux[list[i]];
+      buf[n++] = src_uy[list[i]];
+      buf[n++] = src_uz[list[i]];
+      buf[n++] = src_vxx[list[i]];
+      buf[n++] = src_vyy[list[i]];
+      buf[n++] = src_vzz[list[i]];
+      buf[n++] = src_vxy[list[i]];
+      buf[n++] = src_vxz[list[i]];
+      buf[n++] = src_vyz[list[i]];
+    }
+  } else if (flag == FORWARD_MU_PERATOM) {
+    FFT_SCALAR *v0xsrc = &v0x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1xsrc = &v1x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2xsrc = &v2x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3xsrc = &v3x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4xsrc = &v4x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5xsrc = &v5x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v0ysrc = &v0y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1ysrc = &v1y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2ysrc = &v2y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3ysrc = &v3y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4ysrc = &v4y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5ysrc = &v5y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v0zsrc = &v0z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1zsrc = &v1z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2zsrc = &v2z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3zsrc = &v3z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4zsrc = &v4z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5zsrc = &v5z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      buf[n++] = v0xsrc[list[i]];
+      buf[n++] = v1xsrc[list[i]];
+      buf[n++] = v2xsrc[list[i]];
+      buf[n++] = v3xsrc[list[i]];
+      buf[n++] = v4xsrc[list[i]];
+      buf[n++] = v5xsrc[list[i]];
+      buf[n++] = v0ysrc[list[i]];
+      buf[n++] = v1ysrc[list[i]];
+      buf[n++] = v2ysrc[list[i]];
+      buf[n++] = v3ysrc[list[i]];
+      buf[n++] = v4ysrc[list[i]];
+      buf[n++] = v5ysrc[list[i]];
+      buf[n++] = v0zsrc[list[i]];
+      buf[n++] = v1zsrc[list[i]];
+      buf[n++] = v2zsrc[list[i]];
+      buf[n++] = v3zsrc[list[i]];
+      buf[n++] = v4zsrc[list[i]];
+      buf[n++] = v5zsrc[list[i]];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   unpack another proc's own values from buf and set own ghost values
+------------------------------------------------------------------------- */
+
+void PPPMDipole::unpack_forward(int flag, FFT_SCALAR *buf, int nlist, int *list)
+{
+  int n = 0;
+
+  if (flag == FORWARD_MU) {
+    FFT_SCALAR *dest_ux = &ux_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_uy = &uy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_uz = &uz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vxx = &vdxx_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vyy = &vdyy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vzz = &vdzz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vxy = &vdxy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vxz = &vdxz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_vyz = &vdyz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      dest_ux[list[i]] = buf[n++];
+      dest_uy[list[i]] = buf[n++];
+      dest_uz[list[i]] = buf[n++];
+      dest_vxx[list[i]] = buf[n++];
+      dest_vyy[list[i]] = buf[n++];
+      dest_vzz[list[i]] = buf[n++];
+      dest_vxy[list[i]] = buf[n++];
+      dest_vxz[list[i]] = buf[n++];
+      dest_vyz[list[i]] = buf[n++];
+    }
+  } else if (flag == FORWARD_MU_PERATOM) {
+    FFT_SCALAR *v0xsrc = &v0x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1xsrc = &v1x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2xsrc = &v2x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3xsrc = &v3x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4xsrc = &v4x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5xsrc = &v5x_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v0ysrc = &v0y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1ysrc = &v1y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2ysrc = &v2y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3ysrc = &v3y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4ysrc = &v4y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5ysrc = &v5y_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v0zsrc = &v0z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v1zsrc = &v1z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v2zsrc = &v2z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v3zsrc = &v3z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v4zsrc = &v4z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *v5zsrc = &v5z_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      v0xsrc[list[i]] = buf[n++];
+      v1xsrc[list[i]] = buf[n++];
+      v2xsrc[list[i]] = buf[n++];
+      v3xsrc[list[i]] = buf[n++];
+      v4xsrc[list[i]] = buf[n++];
+      v5xsrc[list[i]] = buf[n++];
+      v0ysrc[list[i]] = buf[n++];
+      v1ysrc[list[i]] = buf[n++];
+      v2ysrc[list[i]] = buf[n++];
+      v3ysrc[list[i]] = buf[n++];
+      v4ysrc[list[i]] = buf[n++];
+      v5ysrc[list[i]] = buf[n++];
+      v0zsrc[list[i]] = buf[n++];
+      v1zsrc[list[i]] = buf[n++];
+      v2zsrc[list[i]] = buf[n++];
+      v3zsrc[list[i]] = buf[n++];
+      v4zsrc[list[i]] = buf[n++];
+      v5zsrc[list[i]] = buf[n++];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   pack ghost values into buf to send to another proc
+------------------------------------------------------------------------- */
+
+void PPPMDipole::pack_reverse(int flag, FFT_SCALAR *buf, int nlist, int *list)
+{
+  int n = 0;
+  if (flag == REVERSE_MU) {
+    FFT_SCALAR *src_dipole0 = &densityx_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_dipole1 = &densityy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *src_dipole2 = &densityz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      buf[n++] = src_dipole0[list[i]];
+      buf[n++] = src_dipole1[list[i]];
+      buf[n++] = src_dipole2[list[i]];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   unpack another proc's ghost values from buf and add to own values
+------------------------------------------------------------------------- */
+
+void PPPMDipole::unpack_reverse(int flag, FFT_SCALAR *buf, int nlist, int *list)
+{
+  int n = 0;
+  if (flag == REVERSE_MU) {
+    FFT_SCALAR *dest_dipole0 = &densityx_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_dipole1 = &densityy_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    FFT_SCALAR *dest_dipole2 = &densityz_brick_dipole[nzlo_out][nylo_out][nxlo_out];
+    for (int i = 0; i < nlist; i++) {
+      dest_dipole0[list[i]] += buf[n++];
+      dest_dipole1[list[i]] += buf[n++];
+      dest_dipole2[list[i]] += buf[n++];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   Slab-geometry correction term to dampen inter-slab interactions between
+   periodically repeating slabs.  Yields good approximation to 2D Ewald if
+   adequate empty space is left between repeating slabs (J. Chem. Phys.
+   111, 3155).  Slabs defined here to be parallel to the xy plane. Also
+   extended to non-neutral systems (J. Chem. Phys. 131, 094107).
+------------------------------------------------------------------------- */
+
+void PPPMDipole::slabcorr()
+{
+  // compute local contribution to global dipole moment
+
+  double **x = atom->x;
+  double zprd = domain->zprd;
+  int nlocal = atom->nlocal;
+
+  double dipole = 0.0;
+  double **mu = atom->mu;
+  for (int i = 0; i < nlocal; i++) dipole += mu[i][2];
+
+  // sum local contributions to get global dipole moment
+
+  double dipole_all;
+  MPI_Allreduce(&dipole,&dipole_all,1,MPI_DOUBLE,MPI_SUM,world);
+
+  // need to make non-neutral systems and/or
+  //  per-atom energy translationally invariant
+
+  if (eflag_atom || fabs(qsum) > SMALL) {
+
+    error->all(FLERR,"Cannot (yet) use kspace slab correction with "
+      "long-range dipoles and non-neutral systems or per-atom energy");
+  }
+
+  // compute corrections
+
+  const double e_slabcorr = MY_2PI*(dipole_all*dipole_all/12.0)/volume;
+  const double qscale = qqrd2e * scale;
+
+  if (eflag_global) energy += qscale * e_slabcorr;
+
+  // per-atom energy
+
+  if (eflag_atom) {
+    double efact = qscale * MY_2PI/volume/12.0;
+    for (int i = 0; i < nlocal; i++)
+      eatom[i] += efact * mu[i][2]*dipole_all;
+  }
+
+  // add on torque corrections
+
+  if (atom->torque) {
+    double ffact = qscale * (-4.0*MY_PI/volume);
+    double **mu = atom->mu;
+    double **torque = atom->torque;
+    for (int i = 0; i < nlocal; i++) {
+      torque[i][0] += ffact * dipole_all * mu[i][1];
+      torque[i][1] += -ffact * dipole_all * mu[i][0];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   perform and time the 1d FFTs required for N timesteps
+------------------------------------------------------------------------- */
+
+int PPPMDipole::timing_1d(int n, double &time1d)
+{
+  double time1,time2;
+
+  for (int i = 0; i < 2*nfft_both; i++) work1[i] = ZEROF;
+
+  MPI_Barrier(world);
+  time1 = MPI_Wtime();
+
+  for (int i = 0; i < n; i++) {
+    fft1->timing1d(work1,nfft_both,1);
+    fft1->timing1d(work1,nfft_both,1);
+    fft1->timing1d(work1,nfft_both,1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+    fft2->timing1d(work1,nfft_both,-1);
+  }
+
+  MPI_Barrier(world);
+  time2 = MPI_Wtime();
+  time1d = time2 - time1;
+
+  return 12;
+}
+
+/* ----------------------------------------------------------------------
+   perform and time the 3d FFTs required for N timesteps
+------------------------------------------------------------------------- */
+
+int PPPMDipole::timing_3d(int n, double &time3d)
+{
+  double time1,time2;
+
+  for (int i = 0; i < 2*nfft_both; i++) work1[i] = ZEROF;
+
+  MPI_Barrier(world);
+  time1 = MPI_Wtime();
+
+  for (int i = 0; i < n; i++) {
+    fft1->compute(work1,work1,1);
+    fft1->compute(work1,work1,1);
+    fft1->compute(work1,work1,1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+    fft2->compute(work1,work1,-1);
+  }
+
+  MPI_Barrier(world);
+  time2 = MPI_Wtime();
+  time3d = time2 - time1;
+
+  return 12;
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local arrays
+------------------------------------------------------------------------- */
+
+double PPPMDipole::memory_usage()
+{
+  double bytes = nmax*3 * sizeof(double);
+  int nbrick = (nxhi_out-nxlo_out+1) * (nyhi_out-nylo_out+1) *
+    (nzhi_out-nzlo_out+1);
+  bytes += 6 * nfft_both * sizeof(double);   // vg
+  bytes += nfft_both * sizeof(double); 	     // greensfn
+  bytes += nfft_both*5 * sizeof(FFT_SCALAR); // work*2*2
+  bytes += 9 * nbrick * sizeof(FFT_SCALAR);  // ubrick*3 + vdbrick*6
+  bytes += nfft_both*7 * sizeof(FFT_SCALAR); // density_ffx*3 + work*2*2
+
+  if (peratom_allocate_flag)
+    bytes += 21 * nbrick * sizeof(FFT_SCALAR);
+
+  if (cg_dipole) bytes += cg_dipole->memory_usage();
+  if (cg_peratom_dipole) bytes += cg_peratom_dipole->memory_usage();
+
+  return bytes;
+}
+
+/* ----------------------------------------------------------------------
+   compute musum,musqsum,mu2
+   called initially, when particle count changes, when dipoles are changed
+------------------------------------------------------------------------- */
+
+void PPPMDipole::musum_musq()
+{
+  const int nlocal = atom->nlocal;
+
+  musum = musqsum = mu2 = 0.0;
+  if (atom->mu_flag) {
+    double** mu = atom->mu;
+    double musum_local(0.0), musqsum_local(0.0);
+
+    for (int i = 0; i < nlocal; i++) {
+      musum_local += mu[i][0] + mu[i][1] + mu[i][2];
+      musqsum_local += mu[i][0]*mu[i][0] + mu[i][1]*mu[i][1] + mu[i][2]*mu[i][2];
+    }
+
+    MPI_Allreduce(&musum_local,&musum,1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(&musqsum_local,&musqsum,1,MPI_DOUBLE,MPI_SUM,world);
+
+    mu2 = musqsum * force->qqrd2e;
+  }
+
+  if (mu2 == 0 && comm->me == 0)
+    error->all(FLERR,"Using kspace solver PPPMDipole on system with no dipoles");
+}
diff --git a/src/KSPACE/pppm_dipole.h b/src/KSPACE/pppm_dipole.h
new file mode 100644
index 0000000000000000000000000000000000000000..d06919644b308c404fb814cf13d10b2bb7e33f78
--- /dev/null
+++ b/src/KSPACE/pppm_dipole.h
@@ -0,0 +1,217 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef KSPACE_CLASS
+
+KSpaceStyle(pppm/dipole,PPPMDipole)
+
+#else
+
+#ifndef LMP_PPPM_DIPOLE_H
+#define LMP_PPPM_DIPOLE_H
+
+#include "pppm.h"
+
+namespace LAMMPS_NS {
+
+class PPPMDipole : public PPPM {
+ public:
+  PPPMDipole(class LAMMPS *);
+  virtual ~PPPMDipole();
+  void init();
+  void setup();
+  void setup_grid();
+  void compute(int, int);
+  int timing_1d(int, double &);
+  int timing_3d(int, double &);
+  double memory_usage();
+
+ protected:
+  void set_grid_global();
+  double newton_raphson_f(); 
+
+  void allocate();
+  void allocate_peratom();
+  void deallocate();
+  void deallocate_peratom();
+  void compute_gf_denom();
+
+  void slabcorr();
+
+  // grid communication
+
+  void pack_forward(int, FFT_SCALAR *, int, int *);
+  void unpack_forward(int, FFT_SCALAR *, int, int *);
+  void pack_reverse(int, FFT_SCALAR *, int, int *);
+  void unpack_reverse(int, FFT_SCALAR *, int, int *);
+
+  // dipole
+
+  FFT_SCALAR ***densityx_brick_dipole,***densityy_brick_dipole,***densityz_brick_dipole;
+  FFT_SCALAR ***vdxx_brick_dipole,***vdyy_brick_dipole,***vdzz_brick_dipole;
+  FFT_SCALAR ***vdxy_brick_dipole,***vdxz_brick_dipole,***vdyz_brick_dipole;
+  FFT_SCALAR ***ux_brick_dipole,***uy_brick_dipole,***uz_brick_dipole;
+  FFT_SCALAR ***v0x_brick_dipole,***v1x_brick_dipole,***v2x_brick_dipole;
+  FFT_SCALAR ***v3x_brick_dipole,***v4x_brick_dipole,***v5x_brick_dipole;
+  FFT_SCALAR ***v0y_brick_dipole,***v1y_brick_dipole,***v2y_brick_dipole;
+  FFT_SCALAR ***v3y_brick_dipole,***v4y_brick_dipole,***v5y_brick_dipole;
+  FFT_SCALAR ***v0z_brick_dipole,***v1z_brick_dipole,***v2z_brick_dipole;
+  FFT_SCALAR ***v3z_brick_dipole,***v4z_brick_dipole,***v5z_brick_dipole;
+  FFT_SCALAR *work3,*work4;
+  FFT_SCALAR *densityx_fft_dipole,*densityy_fft_dipole,*densityz_fft_dipole;
+  class GridComm *cg_dipole;
+  class GridComm *cg_peratom_dipole;
+  int only_dipole_flag;
+  double musum,musqsum,mu2;
+  double find_gewald_dipole(double, double, bigint, double, double);
+  double newton_raphson_f_dipole(double, double, bigint, double, double);
+  double derivf_dipole(double, double, bigint, double, double);
+  double compute_df_kspace_dipole();
+  double compute_qopt_dipole();
+  void compute_gf_dipole();
+  void make_rho_dipole();
+  void brick2fft_dipole();
+  void poisson_ik_dipole();
+  void poisson_peratom_dipole();
+  void fieldforce_ik_dipole();
+  void fieldforce_peratom_dipole();
+  double final_accuracy_dipole();
+  void musum_musq();
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Cannot (yet) use charges with Kspace style PPPMDipole
+
+Charge-dipole interactions are not yet implemented in PPPMDipole so this
+feature is not yet supported.
+
+E: Must redefine kspace_style after changing to triclinic box
+
+Self-explanatory.
+
+E: Kspace style requires atom attribute mu
+
+The atom style defined does not have this attribute.
+
+E: Cannot (yet) use kspace_modify diff ad with dipoles
+
+This feature is not yet supported.
+
+E: Cannot (yet) use 'electron' units with dipoles
+
+This feature is not yet supported.
+
+E: Cannot yet use triclinic cells with PPPMDipole
+
+This feature is not yet supported.
+
+E: Cannot yet use TIP4P with PPPMDipole
+
+This feature is not yet supported.
+
+E: Cannot use nonperiodic boundaries with PPPM
+
+For kspace style pppm, all 3 dimensions must have periodic boundaries
+unless you use the kspace_modify command to define a 2d slab with a
+non-periodic z dimension.
+
+E: Incorrect boundaries with slab PPPM
+
+Must have periodic x,y dimensions and non-periodic z dimension to use
+2d slab option with PPPM.
+
+E: PPPM order cannot be < 2 or > than %d
+
+This is a limitation of the PPPM implementation in LAMMPS.
+
+E: KSpace style is incompatible with Pair style
+
+Setting a kspace style requires that a pair style with matching
+long-range dipole components be used.
+
+W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor
+
+This may lead to a larger grid than desired. See the kspace_modify overlap
+command to prevent changing of the PPPM order.
+
+E: PPPM order < minimum allowed order
+
+The default minimum order is 2. This can be reset by the
+kspace_modify minorder command.
+
+E: PPPM grid stencil extends beyond nearest neighbor processor
+
+This is not allowed if the kspace_modify overlap setting is no.
+
+E: Cannot (yet) compute per-atom virial with kspace style pppm/dipole
+
+This feature is not yet supported.
+
+E: KSpace accuracy must be > 0
+
+The kspace accuracy designated in the input must be greater than zero.
+
+E: Could not compute grid size
+
+The code is unable to compute a grid size consistent with the desired
+accuracy. This error should not occur for typical problems. Please
+send an email to the developers.
+
+E: PPPM grid is too large
+
+The global PPPM grid is larger than OFFSET in one or more dimensions.
+OFFSET is currently set to 4096. You likely need to decrease the
+requested accuracy.
+
+E: Could not compute g_ewald
+
+The Newton-Raphson solver failed to converge to a good value for
+g_ewald. This error should not occur for typical problems. Please
+send an email to the developers.
+
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
+E: Out of range atoms - cannot compute PPPM
+
+One or more atoms are attempting to map their charge to a PPPM grid
+point that is not owned by a processor. This is likely for one of two
+reasons, both of them bad. First, it may mean that an atom near the
+boundary of a processor's sub-domain has moved more than 1/2 the
+"neighbor skin distance"_neighbor.html without neighbor lists being
+rebuilt and atoms being migrated to new processors. This also means
+you may be missing pairwise interactions that need to be computed.
+The solution is to change the re-neighboring criteria via the
+"neigh_modify"_neigh_modify command. The safest settings are "delay 0
+every 1 check yes". Second, it may mean that an atom has moved far
+outside a processor's sub-domain or even the entire simulation box.
+This indicates bad physics, e.g. due to highly overlapping atoms, too
+large a timestep, etc.
+
+E: Using kspace solver PPPMDipole on system with no dipoles
+
+Must have non-zero dipoles with PPPMDipole.
+
+E: Must use kspace_modify gewald for system with no dipoles
+
+Self-explanatory.
+
+*/
diff --git a/src/KSPACE/pppm_dipole_spin.cpp b/src/KSPACE/pppm_dipole_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..878d40c82e5e3d544bf0d44a62bfb93718474331
--- /dev/null
+++ b/src/KSPACE/pppm_dipole_spin.cpp
@@ -0,0 +1,755 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Julien Tranchida (SNL)
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cstring>
+#include <cstdio>
+#include <cstdlib>
+#include <cmath>
+#include "pppm_dipole_spin.h"
+#include "atom.h"
+#include "comm.h"
+#include "gridcomm.h"
+#include "neighbor.h"
+#include "force.h"
+#include "pair.h"
+#include "bond.h"
+#include "angle.h"
+#include "domain.h"
+#include "fft3d_wrap.h"
+#include "remap_wrap.h"
+#include "memory.h"
+#include "error.h"
+#include "update.h"
+
+#include "math_const.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace MathSpecial;
+
+#define MAXORDER 7
+#define OFFSET 16384
+#define LARGE 10000.0
+#define SMALL 0.00001
+#define EPS_HOC 1.0e-7
+
+enum{REVERSE_MU};
+enum{FORWARD_MU,FORWARD_MU_PERATOM};
+
+#ifdef FFT_SINGLE
+#define ZEROF 0.0f
+#define ONEF  1.0f
+#else
+#define ZEROF 0.0
+#define ONEF  1.0
+#endif
+
+/* ---------------------------------------------------------------------- */
+
+PPPMDipoleSpin::PPPMDipoleSpin(LAMMPS *lmp) : 
+  PPPMDipole(lmp)
+{
+  dipoleflag = 0;
+  spinflag = 1;
+  
+  hbar = force->hplanck/MY_2PI;         	// eV/(rad.THz)
+  mub = 9.274e-4;                     		// in A.Ang^2
+  mu_0 = 785.15;               			// in eV/Ang/A^2
+  mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);	// in eV.Ang^3
+  mub2mu0hbinv = mub2mu0 / hbar;        	// in rad.THz
+}
+
+/* ----------------------------------------------------------------------
+   free all memory
+------------------------------------------------------------------------- */
+
+PPPMDipoleSpin::~PPPMDipoleSpin()
+{
+  if (copymode) return;
+
+  deallocate();
+  if (peratom_allocate_flag) deallocate_peratom();
+  fft1 = NULL;
+  fft2 = NULL;
+  remap = NULL;
+  cg_dipole = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   called once before run
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::init()
+{
+  if (me == 0) {
+    if (screen) fprintf(screen,"PPPMDipoleSpin initialization ...\n");
+    if (logfile) fprintf(logfile,"PPPMDipoleSpin initialization ...\n");
+  }
+
+  // error check
+
+  spinflag = atom->sp?1:0;
+  
+  triclinic_check();
+
+  if (triclinic != domain->triclinic)
+    error->all(FLERR,"Must redefine kspace_style after changing to triclinic box");
+
+  if (domain->dimension == 2) error->all(FLERR,
+                                         "Cannot use PPPMDipoleSpin with 2d simulation");
+  if (comm->style != 0)
+    error->universe_all(FLERR,"PPPMDipoleSpin can only currently be used with "
+                        "comm_style brick");
+
+  if (!atom->sp) error->all(FLERR,"Kspace style requires atom attribute sp");
+
+  if (atom->sp && differentiation_flag == 1) error->all(FLERR,"Cannot (yet) use"
+     " kspace_modify diff ad with spins");
+
+  if (spinflag && strcmp(update->unit_style,"metal") != 0)
+    error->all(FLERR,"'metal' units have to be used with spins");
+
+  if (slabflag == 0 && domain->nonperiodic > 0)
+    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDipoleSpin");
+  if (slabflag) {
+    if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
+        domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
+      error->all(FLERR,"Incorrect boundaries with slab PPPMDipoleSpin");
+  }
+
+  if (order < 2 || order > MAXORDER) {
+    char str[128];
+    sprintf(str,"PPPMDipoleSpin order cannot be < 2 or > than %d",MAXORDER);
+    error->all(FLERR,str);
+  }
+
+  // extract short-range Coulombic cutoff from pair style
+
+  triclinic = domain->triclinic;
+  if (triclinic)
+    error->all(FLERR,"Cannot yet use triclinic cells with PPPMDipoleSpin");
+
+  pair_check();
+
+  int itmp = 0;
+  double *p_cutoff = (double *) force->pair->extract("cut_coul",itmp);
+  // check the correct extract here
+  if (p_cutoff == NULL)
+    error->all(FLERR,"KSpace style is incompatible with Pair style");
+  cutoff = *p_cutoff;
+
+  // kspace TIP4P not yet supported
+  // qdist = offset only for TIP4P fictitious charge
+  
+  qdist = 0.0; 
+  if (tip4pflag)
+    error->all(FLERR,"Cannot yet use TIP4P with PPPMDipoleSpin");
+
+  scale = 1.0;
+  spsum_spsq();
+  natoms_original = atom->natoms;
+
+  // set accuracy (force units) from accuracy_relative or accuracy_absolute
+
+  // is two_charge_force still relevant for spin systems?
+
+  if (accuracy_absolute >= 0.0) accuracy = accuracy_absolute;
+  else accuracy = accuracy_relative * two_charge_force;
+
+  // free all arrays previously allocated
+
+  deallocate();
+  if (peratom_allocate_flag) deallocate_peratom();
+
+  // setup FFT grid resolution and g_ewald
+  // normally one iteration thru while loop is all that is required
+  // if grid stencil does not extend beyond neighbor proc
+  //   or overlap is allowed, then done
+  // else reduce order and try again
+
+  int (*procneigh)[2] = comm->procneigh;
+
+  GridComm *cgtmp = NULL;
+  int iteration = 0;
+    
+  while (order >= minorder) {
+    if (iteration && me == 0)
+      error->warning(FLERR,"Reducing PPPMDipoleSpin order b/c stencil extends "
+                     "beyond nearest neighbor processor");
+
+    compute_gf_denom();
+    set_grid_global();
+    set_grid_local();
+    if (overlap_allowed) break;
+
+    cgtmp = new GridComm(lmp,world,1,1,
+                         nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in,
+                         nxlo_out,nxhi_out,nylo_out,nyhi_out,nzlo_out,nzhi_out,
+                         procneigh[0][0],procneigh[0][1],procneigh[1][0],
+                         procneigh[1][1],procneigh[2][0],procneigh[2][1]);
+    cgtmp->ghost_notify();
+    if (!cgtmp->ghost_overlap()) break;
+    delete cgtmp;
+
+    order--;
+    iteration++;
+  }
+
+  if (order < minorder) error->all(FLERR,"PPPMDipoleSpin order < minimum allowed order");
+  if (!overlap_allowed && cgtmp->ghost_overlap())
+    error->all(FLERR,"PPPMDipoleSpin grid stencil extends "
+               "beyond nearest neighbor processor");
+  if (cgtmp) delete cgtmp;
+
+  // adjust g_ewald
+
+  if (!gewaldflag) adjust_gewald();
+
+  // calculate the final accuracy
+
+  double estimated_accuracy = final_accuracy_dipole();
+
+  // print stats
+
+  int ngrid_max,nfft_both_max;
+  MPI_Allreduce(&ngrid,&ngrid_max,1,MPI_INT,MPI_MAX,world);
+  MPI_Allreduce(&nfft_both,&nfft_both_max,1,MPI_INT,MPI_MAX,world);
+
+  if (me == 0) {
+
+#ifdef FFT_SINGLE
+    const char fft_prec[] = "single";
+#else
+    const char fft_prec[] = "double";
+#endif
+
+    if (screen) {
+      fprintf(screen,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(screen,"  grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
+      fprintf(screen,"  stencil order = %d\n",order);
+      fprintf(screen,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(screen,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(screen,"  using %s precision FFTs\n",fft_prec);
+      fprintf(screen,"  3d grid and FFT values/proc = %d %d\n",
+              ngrid_max,nfft_both_max);
+    }
+    if (logfile) {
+      fprintf(logfile,"  G vector (1/distance) = %g\n",g_ewald);
+      fprintf(logfile,"  grid = %d %d %d\n",nx_pppm,ny_pppm,nz_pppm);
+      fprintf(logfile,"  stencil order = %d\n",order);
+      fprintf(logfile,"  estimated absolute RMS force accuracy = %g\n",
+              estimated_accuracy);
+      fprintf(logfile,"  estimated relative force accuracy = %g\n",
+              estimated_accuracy/two_charge_force);
+      fprintf(logfile,"  using %s precision FFTs\n",fft_prec);
+      fprintf(logfile,"  3d grid and FFT values/proc = %d %d\n",
+              ngrid_max,nfft_both_max);
+    }
+  }
+
+  // allocate K-space dependent memory
+  // don't invoke allocate peratom(), will be allocated when needed
+
+  allocate();
+  cg_dipole->ghost_notify();
+  cg_dipole->setup();
+
+  // pre-compute Green's function denominator expansion
+  // pre-compute 1d charge distribution coefficients
+
+  compute_gf_denom();
+  compute_rho_coeff();
+}
+
+/* ----------------------------------------------------------------------
+   compute the PPPMDipoleSpin long-range force, energy, virial
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::compute(int eflag, int vflag)
+{
+  int i,j;
+
+  // set energy/virial flags
+  // invoke allocate_peratom() if needed for first time
+
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = evflag_atom = eflag_global = vflag_global =
+         eflag_atom = vflag_atom = 0;
+
+  if (vflag_atom)
+    error->all(FLERR,"Cannot (yet) compute per-atom virial "
+                       "with kspace style pppm/dipole/spin");
+
+  if (evflag_atom && !peratom_allocate_flag) {
+    allocate_peratom();
+    cg_peratom_dipole->ghost_notify();
+    cg_peratom_dipole->setup();
+  }
+
+  // if atom count has changed, update qsum and qsqsum
+
+  if (atom->natoms != natoms_original) {
+    spsum_spsq();
+    natoms_original = atom->natoms;
+  }
+
+  // return if there are no spins
+
+  if (musqsum == 0.0) return;
+
+  // convert atoms from box to lamda coords
+
+  boxlo = domain->boxlo;
+
+  // extend size of per-atom arrays if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(part2grid);
+    nmax = atom->nmax;
+    memory->create(part2grid,nmax,3,"pppm_spin:part2grid");
+  }
+
+  // find grid points for all my particles
+  // map my particle charge onto my local 3d on-grid density
+
+  particle_map();
+  make_rho_spin();
+
+  // all procs communicate density values from their ghost cells
+  //   to fully sum contribution in their 3d bricks
+  // remap from 3d decomposition to FFT decomposition
+
+  cg_dipole->reverse_comm(this,REVERSE_MU);
+  brick2fft_dipole();
+
+  // compute potential gradient on my FFT grid and
+  //   portion of e_long on this proc's FFT grid
+  // return gradients (electric fields) in 3d brick decomposition
+  // also performs per-atom calculations via poisson_peratom()
+
+  poisson_ik_dipole();
+
+  // all procs communicate E-field values
+  // to fill ghost cells surrounding their 3d bricks
+
+  cg_dipole->forward_comm(this,FORWARD_MU);
+
+  // extra per-atom energy/virial communication
+
+  if (evflag_atom) {
+    cg_peratom_dipole->forward_comm(this,FORWARD_MU_PERATOM);
+  }
+
+  // calculate the force on my particles
+
+  fieldforce_ik_spin();
+
+  // extra per-atom energy/virial communication
+
+  if (evflag_atom) fieldforce_peratom_spin();
+
+  // sum global energy across procs and add in volume-dependent term
+
+  const double spscale = mub2mu0 * scale;
+  const double g3 = g_ewald*g_ewald*g_ewald;
+
+  if (eflag_global) {
+    double energy_all;
+    MPI_Allreduce(&energy,&energy_all,1,MPI_DOUBLE,MPI_SUM,world);
+    energy = energy_all;
+
+    energy *= 0.5*volume;
+    energy -= musqsum*2.0*g3/3.0/MY_PIS;
+    energy *= spscale;
+  }
+
+  // sum global virial across procs
+
+  if (vflag_global) {
+    double virial_all[6];
+    MPI_Allreduce(virial,virial_all,6,MPI_DOUBLE,MPI_SUM,world);
+    for (i = 0; i < 6; i++) virial[i] = 0.5*spscale*volume*virial_all[i];
+  }
+
+  // per-atom energy/virial
+  // energy includes self-energy correction
+
+  if (evflag_atom) {
+    double **sp = atom->sp;
+    double spx,spy,spz;
+    int nlocal = atom->nlocal;
+    int ntotal = nlocal;
+
+    if (eflag_atom) {
+      for (i = 0; i < nlocal; i++) {
+	spx = sp[i][0]*sp[i][3];
+	spy = sp[i][1]*sp[i][3];
+	spz = sp[i][2]*sp[i][3];
+        eatom[i] *= 0.5;
+        eatom[i] -= (spx*spx + spy*spy + spz*spz)*2.0*g3/3.0/MY_PIS;
+        eatom[i] *= spscale;
+      }
+    }
+
+    if (vflag_atom) {
+      for (i = 0; i < ntotal; i++)
+        for (j = 0; j < 6; j++) vatom[i][j] *= 0.5*spscale;
+    }
+  }
+
+  // 2d slab correction
+
+  if (slabflag == 1) slabcorr();
+}
+
+/* ----------------------------------------------------------------------
+   create discretized "density" on section of global grid due to my particles
+   density(x,y,z) = charge "density" at grid points of my 3d brick
+   (nxlo:nxhi,nylo:nyhi,nzlo:nzhi) is extent of my brick (including ghosts)
+   in global grid
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::make_rho_spin()
+{
+  int l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz;
+  FFT_SCALAR x0,y0,z0;
+  FFT_SCALAR x1,y1,z1;
+  FFT_SCALAR x2,y2,z2;
+
+  // clear 3d density array
+
+  memset(&(densityx_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+  memset(&(densityy_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+  memset(&(densityz_brick_dipole[nzlo_out][nylo_out][nxlo_out]),0,
+         ngrid*sizeof(FFT_SCALAR));
+
+  // loop over my charges, add their contribution to nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+  double **sp = atom->sp;
+  double spx,spy,spz;
+  double **x = atom->x;
+  int nlocal = atom->nlocal;
+
+  for (int i = 0; i < nlocal; i++) {
+
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    spx = sp[i][0]*sp[i][3];
+    spy = sp[i][1]*sp[i][3];
+    spz = sp[i][2]*sp[i][3];
+    z0 = delvolinv * spx;
+    z1 = delvolinv * spy;
+    z2 = delvolinv * spz;
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      y0 = z0*rho1d[2][n];
+      y1 = z1*rho1d[2][n];
+      y2 = z2*rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        x0 = y0*rho1d[1][m];
+        x1 = y1*rho1d[1][m];
+        x2 = y2*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          densityx_brick_dipole[mz][my][mx] += x0*rho1d[0][l];
+          densityy_brick_dipole[mz][my][mx] += x1*rho1d[0][l];
+          densityz_brick_dipole[mz][my][mx] += x2*rho1d[0][l];
+        }
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   interpolate from grid to get magnetic field & force on my particles for ik
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::fieldforce_ik_spin()
+{
+  int i,l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz;
+  FFT_SCALAR x0,y0,z0;
+  FFT_SCALAR ex,ey,ez;
+  FFT_SCALAR vxx,vyy,vzz,vxy,vxz,vyz;
+
+  // loop over my charges, interpolate electric field from nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+  double **sp = atom->sp;
+  double spx,spy,spz;
+  double **x = atom->x;
+  double **f = atom->f;
+  double **fm_long = atom->fm_long;
+
+  int nlocal = atom->nlocal;
+
+  for (i = 0; i < nlocal; i++) {
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    ex = ey = ez = ZEROF;
+    vxx = vyy = vzz = vxy = vxz = vyz = ZEROF;
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      z0 = rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        y0 = z0*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          x0 = y0*rho1d[0][l];
+          ex -= x0*ux_brick_dipole[mz][my][mx];
+          ey -= x0*uy_brick_dipole[mz][my][mx];
+          ez -= x0*uz_brick_dipole[mz][my][mx];
+          vxx -= x0*vdxx_brick_dipole[mz][my][mx];
+          vyy -= x0*vdyy_brick_dipole[mz][my][mx];
+          vzz -= x0*vdzz_brick_dipole[mz][my][mx];
+          vxy -= x0*vdxy_brick_dipole[mz][my][mx];
+          vxz -= x0*vdxz_brick_dipole[mz][my][mx];
+          vyz -= x0*vdyz_brick_dipole[mz][my][mx];
+        }
+      }
+    }
+
+    // convert M-field and store mech. forces
+
+    const double spfactor = mub2mu0 * scale;
+    spx = sp[i][0]*sp[i][3];
+    spy = sp[i][1]*sp[i][3];
+    spz = sp[i][2]*sp[i][3];
+    f[i][0] += spfactor*(vxx*spx + vxy*spy + vxz*spz);
+    f[i][1] += spfactor*(vxy*spx + vyy*spy + vyz*spz);
+    f[i][2] += spfactor*(vxz*spx + vyz*spy + vzz*spz);
+
+    // store long-range mag. precessions
+    
+    const double spfactorh = mub2mu0hbinv * scale;
+    fm_long[i][0] += spfactorh*ex;
+    fm_long[i][1] += spfactorh*ey;
+    fm_long[i][2] += spfactorh*ez;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   interpolate from grid to get per-atom energy/virial
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::fieldforce_peratom_spin()
+{
+  int i,l,m,n,nx,ny,nz,mx,my,mz;
+  FFT_SCALAR dx,dy,dz,x0,y0,z0;
+  FFT_SCALAR ux,uy,uz;
+  FFT_SCALAR v0x,v1x,v2x,v3x,v4x,v5x;
+  FFT_SCALAR v0y,v1y,v2y,v3y,v4y,v5y;
+  FFT_SCALAR v0z,v1z,v2z,v3z,v4z,v5z;
+
+  // loop over my charges, interpolate from nearby grid points
+  // (nx,ny,nz) = global coords of grid pt to "lower left" of charge
+  // (dx,dy,dz) = distance to "lower left" grid pt
+  // (mx,my,mz) = global coords of moving stencil pt
+
+  double **sp = atom->sp;
+  double spx,spy,spz;
+  double **x = atom->x;
+
+  int nlocal = atom->nlocal;
+
+  for (i = 0; i < nlocal; i++) {
+    nx = part2grid[i][0];
+    ny = part2grid[i][1];
+    nz = part2grid[i][2];
+    dx = nx+shiftone - (x[i][0]-boxlo[0])*delxinv;
+    dy = ny+shiftone - (x[i][1]-boxlo[1])*delyinv;
+    dz = nz+shiftone - (x[i][2]-boxlo[2])*delzinv;
+
+    compute_rho1d(dx,dy,dz);
+
+    ux = uy = uz = ZEROF;
+    v0x = v1x = v2x = v3x = v4x = v5x = ZEROF;
+    v0y = v1y = v2y = v3y = v4y = v5y = ZEROF;
+    v0z = v1z = v2z = v3z = v4z = v5z = ZEROF;
+    for (n = nlower; n <= nupper; n++) {
+      mz = n+nz;
+      z0 = rho1d[2][n];
+      for (m = nlower; m <= nupper; m++) {
+        my = m+ny;
+        y0 = z0*rho1d[1][m];
+        for (l = nlower; l <= nupper; l++) {
+          mx = l+nx;
+          x0 = y0*rho1d[0][l];
+          if (eflag_atom) {
+            ux += x0*ux_brick_dipole[mz][my][mx];
+            uy += x0*uy_brick_dipole[mz][my][mx];
+            uz += x0*uz_brick_dipole[mz][my][mx];
+          }
+          if (vflag_atom) {
+            v0x += x0*v0x_brick_dipole[mz][my][mx];
+            v1x += x0*v1x_brick_dipole[mz][my][mx];
+            v2x += x0*v2x_brick_dipole[mz][my][mx];
+            v3x += x0*v3x_brick_dipole[mz][my][mx];
+            v4x += x0*v4x_brick_dipole[mz][my][mx];
+            v5x += x0*v5x_brick_dipole[mz][my][mx];
+            v0y += x0*v0y_brick_dipole[mz][my][mx];
+            v1y += x0*v1y_brick_dipole[mz][my][mx];
+            v2y += x0*v2y_brick_dipole[mz][my][mx];
+            v3y += x0*v3y_brick_dipole[mz][my][mx];
+            v4y += x0*v4y_brick_dipole[mz][my][mx];
+            v5y += x0*v5y_brick_dipole[mz][my][mx];
+            v0z += x0*v0z_brick_dipole[mz][my][mx];
+            v1z += x0*v1z_brick_dipole[mz][my][mx];
+            v2z += x0*v2z_brick_dipole[mz][my][mx];
+            v3z += x0*v3z_brick_dipole[mz][my][mx];
+            v4z += x0*v4z_brick_dipole[mz][my][mx];
+            v5z += x0*v5z_brick_dipole[mz][my][mx];
+          }
+        }
+      }
+    }
+
+    spx = sp[i][0]*sp[i][3];
+    spy = sp[i][1]*sp[i][3];
+    spz = sp[i][2]*sp[i][3];
+    if (eflag_atom) eatom[i] += spx*ux + spy*uy + spz*uz;
+    if (vflag_atom) {
+      vatom[i][0] += spx*v0x + spy*v0y + spz*v0z;
+      vatom[i][1] += spx*v1x + spy*v1y + spz*v1z;
+      vatom[i][2] += spx*v2x + spy*v2y + spz*v2z;
+      vatom[i][3] += spx*v3x + spy*v3y + spz*v3z;
+      vatom[i][4] += spx*v4x + spy*v4y + spz*v4z;
+      vatom[i][5] += spx*v5x + spy*v5y + spz*v5z;
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   Slab-geometry correction term to dampen inter-slab interactions between
+   periodically repeating slabs.  Yields good approximation to 2D Ewald if
+   adequate empty space is left between repeating slabs (J. Chem. Phys.
+   111, 3155).  Slabs defined here to be parallel to the xy plane. Also
+   extended to non-neutral systems (J. Chem. Phys. 131, 094107).
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::slabcorr()
+{
+  // compute local contribution to global spin moment
+
+  double **x = atom->x;
+  double zprd = domain->zprd;
+  int nlocal = atom->nlocal;
+
+  double spin = 0.0;
+  double **sp = atom->sp;
+  double spx,spy,spz;
+  for (int i = 0; i < nlocal; i++) { 
+    spz = sp[i][2]*sp[i][3];
+    spin += spz;
+  }
+
+  // sum local contributions to get global spin moment
+
+  double spin_all;
+  MPI_Allreduce(&spin,&spin_all,1,MPI_DOUBLE,MPI_SUM,world);
+
+  // compute corrections
+
+  const double e_slabcorr = MY_2PI*(spin_all*spin_all/12.0)/volume;
+  const double spscale = mub2mu0 * scale;
+
+  if (eflag_global) energy += spscale * e_slabcorr;
+
+  // per-atom energy
+
+  if (eflag_atom) {
+    double efact = spscale * MY_2PI/volume/12.0;
+    for (int i = 0; i < nlocal; i++) {
+      spz = sp[i][2]*sp[i][3];
+      eatom[i] += efact * spz * spin_all;
+    }
+  }
+
+  // add on mag. force corrections
+
+  double ffact = spscale * (-4.0*MY_PI/volume);
+  double **fm_long = atom->fm_long;
+  for (int i = 0; i < nlocal; i++) {
+    fm_long[i][2] += ffact * spin_all;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute spsum,spsqsum,sp2
+   called initially, when particle count changes, when spins are changed
+------------------------------------------------------------------------- */
+
+void PPPMDipoleSpin::spsum_spsq()
+{
+  const int nlocal = atom->nlocal;
+
+  musum = musqsum = mu2 = 0.0;
+  if (atom->sp_flag) {
+    double **sp = atom->sp;
+    double spx, spy, spz;
+    double spsum_local(0.0), spsqsum_local(0.0);
+
+    // sum (direction x norm) of all spins
+
+    for (int i = 0; i < nlocal; i++) {
+      spx = sp[i][0]*sp[i][3];
+      spy = sp[i][1]*sp[i][3];
+      spz = sp[i][2]*sp[i][3];
+      spsum_local += spx + spy + spz;
+      spsqsum_local += spx*spx + spy*spy + spz*spz;
+    }
+
+    // store results into pppm_dipole quantities 
+
+    MPI_Allreduce(&spsum_local,&musum,1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(&spsqsum_local,&musqsum,1,MPI_DOUBLE,MPI_SUM,world);
+
+    //mu2 = musqsum * mub2mu0;
+    mu2 = musqsum;
+  }
+
+  if (mu2 == 0 && comm->me == 0)
+    error->all(FLERR,"Using kspace solver PPPMDipoleSpin on system with no spins");
+}
diff --git a/src/KSPACE/pppm_dipole_spin.h b/src/KSPACE/pppm_dipole_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..2b4a989d5cf5d3c846d7b0c977865016ac5cb336
--- /dev/null
+++ b/src/KSPACE/pppm_dipole_spin.h
@@ -0,0 +1,176 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef KSPACE_CLASS
+
+KSpaceStyle(pppm/dipole/spin,PPPMDipoleSpin)
+
+#else
+
+#ifndef LMP_PPPM_DIPOLE_SPIN_H
+#define LMP_PPPM_DIPOLE_SPIN_H
+
+#include "pppm_dipole.h"
+
+namespace LAMMPS_NS {
+
+class PPPMDipoleSpin : public PPPMDipole {
+ public:
+  PPPMDipoleSpin(class LAMMPS *);
+  virtual ~PPPMDipoleSpin();
+  void init();
+  void compute(int, int);
+
+ protected:
+  double hbar;                  // reduced Planck's constant      
+  double mub;                   // Bohr's magneton                
+  double mu_0;                  // vacuum permeability
+  double mub2mu0;               // prefactor for mech force
+  double mub2mu0hbinv;          // prefactor for mag force
+
+  void slabcorr();
+
+  // spin
+
+  void make_rho_spin();
+  void fieldforce_ik_spin();
+  void fieldforce_peratom_spin();
+  void spsum_spsq();
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Cannot (yet) use charges with Kspace style PPPMDipoleSpin
+
+Charge-spin interactions are not yet implemented in PPPMDipoleSpin so this
+feature is not yet supported.
+
+E: Must redefine kspace_style after changing to triclinic box
+
+Self-explanatory.
+
+E: Kspace style requires atom attribute mu
+
+The atom style defined does not have this attribute.
+
+E: Cannot (yet) use kspace_modify diff ad with spins
+
+This feature is not yet supported.
+
+E: Cannot (yet) use 'electron' units with spins
+
+This feature is not yet supported.
+
+E: Cannot yet use triclinic cells with PPPMDipoleSpin
+
+This feature is not yet supported.
+
+E: Cannot yet use TIP4P with PPPMDipoleSpin
+
+This feature is not yet supported.
+
+E: Cannot use nonperiodic boundaries with PPPM
+
+For kspace style pppm, all 3 dimensions must have periodic boundaries
+unless you use the kspace_modify command to define a 2d slab with a
+non-periodic z dimension.
+
+E: Incorrect boundaries with slab PPPM
+
+Must have periodic x,y dimensions and non-periodic z dimension to use
+2d slab option with PPPM.
+
+E: PPPM order cannot be < 2 or > than %d
+
+This is a limitation of the PPPM implementation in LAMMPS.
+
+E: KSpace style is incompatible with Pair style
+
+Setting a kspace style requires that a pair style with matching
+long-range spin components be used.
+
+W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor
+
+This may lead to a larger grid than desired. See the kspace_modify overlap
+command to prevent changing of the PPPM order.
+
+E: PPPM order < minimum allowed order
+
+The default minimum order is 2. This can be reset by the
+kspace_modify minorder command.
+
+E: PPPM grid stencil extends beyond nearest neighbor processor
+
+This is not allowed if the kspace_modify overlap setting is no.
+
+E: Cannot (yet) compute per-atom virial with kspace style pppm/dipole/spin
+
+This feature is not yet supported.
+
+E: KSpace accuracy must be > 0
+
+The kspace accuracy designated in the input must be greater than zero.
+
+E: Could not compute grid size
+
+The code is unable to compute a grid size consistent with the desired
+accuracy. This error should not occur for typical problems. Please
+send an email to the developers.
+
+E: PPPM grid is too large
+
+The global PPPM grid is larger than OFFSET in one or more dimensions.
+OFFSET is currently set to 4096. You likely need to decrease the
+requested accuracy.
+
+E: Could not compute g_ewald
+
+The Newton-Raphson solver failed to converge to a good value for
+g_ewald. This error should not occur for typical problems. Please
+send an email to the developers.
+
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
+E: Out of range atoms - cannot compute PPPM
+
+One or more atoms are attempting to map their charge to a PPPM grid
+point that is not owned by a processor. This is likely for one of two
+reasons, both of them bad. First, it may mean that an atom near the
+boundary of a processor's sub-domain has moved more than 1/2 the
+"neighbor skin distance"_neighbor.html without neighbor lists being
+rebuilt and atoms being migrated to new processors. This also means
+you may be missing pairwise interactions that need to be computed.
+The solution is to change the re-neighboring criteria via the
+"neigh_modify"_neigh_modify command. The safest settings are "delay 0
+every 1 check yes". Second, it may mean that an atom has moved far
+outside a processor's sub-domain or even the entire simulation box.
+This indicates bad physics, e.g. due to highly overlapping atoms, too
+large a timestep, etc.
+
+E: Using kspace solver PPPMDipoleSpin on system with no spins
+
+Must have non-zero spins with PPPMDipoleSpin.
+
+E: Must use kspace_modify gewald for system with no spins
+
+Self-explanatory.
+
+*/
diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp
index 687ea0b3f92baf3497e23b0b6334086b6b59502a..45dce0895bad517eb4fada8aa5112b48d5a990c8 100644
--- a/src/KSPACE/pppm_disp.cpp
+++ b/src/KSPACE/pppm_disp.cpp
@@ -928,9 +928,7 @@ void PPPMDisp::compute(int eflag, int vflag)
   int i;
   // convert atoms from box to lamda coords
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
diff --git a/src/KSPACE/pppm_stagger.cpp b/src/KSPACE/pppm_stagger.cpp
index ca369cf260cd3fe444f8a3f39ba2aad6be244644..a5ed6de6262763448d35c50f368809d777f6572a 100644
--- a/src/KSPACE/pppm_stagger.cpp
+++ b/src/KSPACE/pppm_stagger.cpp
@@ -124,9 +124,7 @@ void PPPMStagger::compute(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
diff --git a/src/LATTE/fix_latte.cpp b/src/LATTE/fix_latte.cpp
index d1a96d32c67a72f6cd8437ba8395253974248cbe..645b298e09b2bc5fce06b9b7605c05bfc3d33214 100644
--- a/src/LATTE/fix_latte.cpp
+++ b/src/LATTE/fix_latte.cpp
@@ -239,8 +239,7 @@ void FixLatte::pre_reverse(int eflag, int /*vflag*/)
 void FixLatte::post_force(int vflag)
 {
   int eflag = eflag_caller;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // compute Coulombic potential = pe[i]/q[i]
   // invoke compute pe/atom
diff --git a/src/MAKE/Makefile.mpi b/src/MAKE/Makefile.mpi
index aebb465454c046f8e70387da3cf01ffe32a6597c..f30220da3da303f77eb81578bcf34d65683bb35a 100644
--- a/src/MAKE/Makefile.mpi
+++ b/src/MAKE/Makefile.mpi
@@ -12,7 +12,7 @@ SHFLAGS =	-fPIC
 DEPFLAGS =	-M
 
 LINK =		mpicxx
-LINKFLAGS =	-g -O
+LINKFLAGS =	-g -O3
 LIB = 
 SIZE =		size
 
diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp
index 4fd19a36c456472d8f1b7ca59ed7e57da9edaa42..68511b87096df8eb8ff4fa9fe30d39213a514cb7 100644
--- a/src/MANYBODY/pair_adp.cpp
+++ b/src/MANYBODY/pair_adp.cpp
@@ -133,8 +133,7 @@ void PairADP::compute(int eflag, int vflag)
   double sumlamxx,sumlamyy,sumlamzz,sumlamyz,sumlamxz,sumlamxy;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // grow local arrays if necessary
   // need to be atom->nmax in length
diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp
index f8221e6381d19a52fee8063ecd6e024fc9f1b3ff..e3c5a1627b8bef05b978767325d88a6d9a1e7235 100644
--- a/src/MANYBODY/pair_airebo.cpp
+++ b/src/MANYBODY/pair_airebo.cpp
@@ -50,7 +50,8 @@ using namespace MathSpecial;
 
 /* ---------------------------------------------------------------------- */
 
-PairAIREBO::PairAIREBO(LAMMPS *lmp) : Pair(lmp)
+PairAIREBO::PairAIREBO(LAMMPS *lmp)
+  : Pair(lmp), variant(AIREBO)
 {
   single_enable = 0;
   restartinfo = 0;
@@ -108,8 +109,7 @@ PairAIREBO::~PairAIREBO()
 
 void PairAIREBO::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
   pvector[0] = pvector[1] = pvector[2] = 0.0;
 
   REBO_neigh();
@@ -169,10 +169,6 @@ void PairAIREBO::settings(int narg, char **arg)
     sigwid = sigcut - sigmin;
   }
 
-  // this one parameter for C-C interactions is different in AIREBO vs REBO
-  // see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
-
-  PCCf_2_0 = -0.0276030;
 }
 
 /* ----------------------------------------------------------------------
@@ -3377,14 +3373,38 @@ void PairAIREBO::read_file(char *filename)
     fp = force->open_potential(filename);
     if (fp == NULL) {
       char str[128];
-      if (morseflag)
-        snprintf(str,128,"Cannot open AIREBO-M potential file %s",filename);
-      else
+      switch (variant) {
+
+      case AIREBO:
         snprintf(str,128,"Cannot open AIREBO potential file %s",filename);
+        break;
+
+      case REBO_2:
+        snprintf(str,128,"Cannot open REBO2 potential file %s",filename);
+        break;
+
+      case AIREBO_M:
+        snprintf(str,128,"Cannot open AIREBO-M potential file %s",filename);
+        break;
+
+      default:
+        snprintf(str,128,"Unknown REBO style variant %d",variant);
+      }
       error->one(FLERR,str);
     }
 
-    // skip initial comment lines
+    // skip initial comment line and check for potential file style identifier comment
+
+    fgets(s,MAXLINE,fp);
+    fgets(s,MAXLINE,fp);
+
+    if (((variant == AIREBO) && (strncmp(s,"# AIREBO ",9) != 0))
+        || ((variant == REBO_2) && (strncmp(s,"# REBO2 ",8) != 0))
+        || ((variant == AIREBO_M) && (strncmp(s,"# AIREBO-M ",11) != 0))) {
+      error->one(FLERR,"Potential file does not match AIREBO/REBO style variant");
+    }
+
+    // skip remaining comments
 
     while (1) {
       utils::sfgets(FLERR,s,MAXLINE,fp,filename,error);
@@ -4503,19 +4523,18 @@ void PairAIREBO::spline_init()
   // this one parameter for C-C interactions is different in REBO vs AIREBO
   // see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
 
-  PCCf[2][0] = PCCf_2_0;
-
+  PCCf[2][0] = -0.0276030;
   PCCf[2][1] = 0.00317953083;
 
-  PCHf[0][1] = 0.209336733;
-  PCHf[0][2] = -0.0644496154;
-  PCHf[0][3] = -0.303927546;
+  PCHf[0][1] = 0.2093367328250380;
+  PCHf[0][2] = -0.064449615432525;
+  PCHf[0][3] = -0.303927546346162;
   PCHf[1][0] = 0.010;
-  PCHf[1][1] = -0.125123401;
-  PCHf[1][2] = -0.298905246;
-  PCHf[2][0] = -0.122042146;
-  PCHf[2][1] = -0.300529172;
-  PCHf[3][0] = -0.307584705;
+  PCHf[1][1] = -0.1251234006287090;
+  PCHf[1][2] = -0.298905245783;
+  PCHf[2][0] = -0.1220421462782555;
+  PCHf[2][1] = -0.3005291724067579;
+  PCHf[3][0] = -0.307584705066;
 
   for (int nH = 0; nH < 4; nH++) {
     for (int nC = 0; nC < 4; nC++) {
diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h
index c7c9b07357c2ae11bbd6a48ac427d6e435f1257e..8e92807afb03100e4325c8bd53a4b0008da70e21 100644
--- a/src/MANYBODY/pair_airebo.h
+++ b/src/MANYBODY/pair_airebo.h
@@ -38,10 +38,12 @@ class PairAIREBO : public Pair {
   double init_one(int, int);
   double memory_usage();
 
- protected:
+  enum { AIREBO, REBO_2, AIREBO_M }; // for telling class variants apart in shared code
+
+protected:
   int *map;                        // 0 (C), 1 (H), or -1 (NULL) for each type
 
-  int me;
+  int me,variant;
   int ljflag,torflag;              // 0/1 if LJ/Morse,torsion terms included
   int morseflag;                   // 1 if Morse instead of LJ for non-bonded
 
@@ -84,7 +86,6 @@ class PairAIREBO : public Pair {
 
   // spline knot values
 
-  double PCCf_2_0;
   double PCCf[5][5],PCCdfdx[5][5],PCCdfdy[5][5],PCHf[5][5];
   double PCHdfdx[5][5],PCHdfdy[5][5];
   double piCCf[5][5][11],piCCdfdx[5][5][11];
@@ -120,7 +121,7 @@ class PairAIREBO : public Pair {
   void Spbicubic_patch_adjust(double *, double, double, char);
   void Spbicubic_patch_coeffs(double, double, double, double, double *,
                               double *, double *, double *);
-  void spline_init();
+  virtual void spline_init();
 
   void allocate();
 
diff --git a/src/MANYBODY/pair_airebo_morse.cpp b/src/MANYBODY/pair_airebo_morse.cpp
index b501ed0982b35b3e8f5770883ee9ad19fbc4ba8a..a39f7df82e3b3ad4b246607da09beeae43241497 100644
--- a/src/MANYBODY/pair_airebo_morse.cpp
+++ b/src/MANYBODY/pair_airebo_morse.cpp
@@ -19,7 +19,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairAIREBOMorse::PairAIREBOMorse(LAMMPS *lmp) : PairAIREBO(lmp) {}
+PairAIREBOMorse::PairAIREBOMorse(LAMMPS *lmp) : PairAIREBO(lmp) {
+  variant = AIREBO_M;
+}
 
 /* ----------------------------------------------------------------------
    global settings
diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp
index e3be72443e5dd8d876bc4fa350c19b1565369f21..c157e0763c8115159b134403873e7b50e4c7458d 100644
--- a/src/MANYBODY/pair_atm.cpp
+++ b/src/MANYBODY/pair_atm.cpp
@@ -82,8 +82,7 @@ void PairATM::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp
index 6540dedf987bf1e5beb373a353d00c442dfaacfc..ac157e071c9a851f81a0edc17bd8f7a1582522aa 100644
--- a/src/MANYBODY/pair_bop.cpp
+++ b/src/MANYBODY/pair_bop.cpp
@@ -297,8 +297,7 @@ void PairBOP::compute(int eflag, int vflag)
   ilist = list->ilist;
   firstneigh = list->firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // BOP Neighbor lists must be updated every timestep
   maxnall=nall;
diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp
index 85ea4812bfea4399179bb5bb918ce24281badc5c..980aa84b2a886cdd5b3b49f1f5986d2cdaef3cb6 100644
--- a/src/MANYBODY/pair_comb.cpp
+++ b/src/MANYBODY/pair_comb.cpp
@@ -144,8 +144,7 @@ void PairComb::compute(int eflag, int vflag)
   int sht_jnum, *sht_jlist, nj;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // Build short range neighbor list
 
diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp
index d82f6dfed0312c3acd4ad828ae8c47812cc1a533..097f235ff2007e9cd55833d8fe54d609be192ab3 100644
--- a/src/MANYBODY/pair_comb3.cpp
+++ b/src/MANYBODY/pair_comb3.cpp
@@ -987,8 +987,7 @@ void PairComb3::compute(int eflag, int vflag)
 
   evdwl = eng_tmp = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // Build short range neighbor list
   Short_neigh();
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index f4b4901075b02855452ace12a1ba45ec5d2f3e6f..b7957349b6482c68ea7c781ae474a78ba24f20a6 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -142,8 +142,7 @@ void PairEAM::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // grow energy and fp arrays if necessary
   // need to be atom->nmax in length
diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp
index 8db1b6dd9a5a64cb83b51eed6085f98597f35065..c111c6d950fcfe0a2eeb96a3d3e2d73d85012bc2 100644
--- a/src/MANYBODY/pair_eam_cd.cpp
+++ b/src/MANYBODY/pair_eam_cd.cpp
@@ -73,8 +73,7 @@ void PairEAMCD::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // Grow per-atom arrays if necessary
 
diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp
index b0fa1b1eeff664a0447096e7e5e9569ca03d0fd7..f1c028ef3841916d6bb6f7c0d6b20d53ac938405 100644
--- a/src/MANYBODY/pair_eim.cpp
+++ b/src/MANYBODY/pair_eim.cpp
@@ -113,8 +113,7 @@ void PairEIM::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // grow energy array if necessary
 
diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp
index 7649090a99221238f8edc4f5370e543ac6f16912..e4b74f7a2997b40fc80d7c567af405a5adc7f6ac 100644
--- a/src/MANYBODY/pair_gw.cpp
+++ b/src/MANYBODY/pair_gw.cpp
@@ -87,8 +87,7 @@ void PairGW::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp
index 0c8b3ef2a6211a355447a554a7c15aa6d4e987ee..05cdea8055514db6783733371b18c412a26ddf7b 100644
--- a/src/MANYBODY/pair_lcbop.cpp
+++ b/src/MANYBODY/pair_lcbop.cpp
@@ -87,8 +87,7 @@ PairLCBOP::~PairLCBOP()
 
 void PairLCBOP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   SR_neigh();
   FSR(eflag,vflag);
diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp
index ce449e48909948962e2e69ae3751d9091c955f2e..a61b4034591f8aba6e5882632a4de3bb8bb12908 100644
--- a/src/MANYBODY/pair_nb3b_harmonic.cpp
+++ b/src/MANYBODY/pair_nb3b_harmonic.cpp
@@ -87,8 +87,7 @@ void PairNb3bHarmonic::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp
index 41c5892d4e84aafc1df9ec977ab496ed071ffe45..d3aca4e8896712504e771ecec6fbadaef933fd9d 100644
--- a/src/MANYBODY/pair_polymorphic.cpp
+++ b/src/MANYBODY/pair_polymorphic.cpp
@@ -117,8 +117,7 @@ void PairPolymorphic::compute(int eflag, int vflag)
   double emb;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_rebo.cpp b/src/MANYBODY/pair_rebo.cpp
index 1f31c0b0cd67478b38c7f5d0ff67a0eb93b3e045..e07a1b349555d3e138677673e89e5d8df2214c23 100644
--- a/src/MANYBODY/pair_rebo.cpp
+++ b/src/MANYBODY/pair_rebo.cpp
@@ -18,7 +18,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairREBO::PairREBO(LAMMPS *lmp) : PairAIREBO(lmp) {}
+PairREBO::PairREBO(LAMMPS *lmp) : PairAIREBO(lmp) {
+  variant = REBO_2;
+}
 
 /* ----------------------------------------------------------------------
    global settings
@@ -30,9 +32,35 @@ void PairREBO::settings(int narg, char **/*arg*/)
 
   cutlj = 0.0;
   ljflag = torflag = 0;
+}
+
+/* ----------------------------------------------------------------------
+   initialize spline knot values
+------------------------------------------------------------------------- */
+
+void PairREBO::spline_init() {
+  PairAIREBO::spline_init();
 
-  // this one parameter for C-C interactions is different in REBO vs AIREBO
-  // see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
+  PCCf[0][2] = 0.007860700254745;
+  PCCf[0][3] = 0.016125364564267;
+  PCCf[1][1] = 0.003026697473481;
+  PCCf[1][2] = 0.006326248241119;
+  PCCf[2][0] = 0.;
+  PCCf[2][1] = 0.003179530830731;
 
-  PCCf_2_0 = 0.0;
+  for (int nH = 0; nH < 4; nH++) {
+    for (int nC = 0; nC < 4; nC++) {
+      double y[4] = {0}, y1[4] = {0}, y2[4] = {0};
+      y[0] = PCCf[nC][nH];
+      y[1] = PCCf[nC][nH+1];
+      y[2] = PCCf[nC+1][nH];
+      y[3] = PCCf[nC+1][nH+1];
+      Spbicubic_patch_coeffs(nC, nC+1, nH, nH+1, y, y1, y2, &pCC[nC][nH][0]);
+      y[0] = PCHf[nC][nH];
+      y[1] = PCHf[nC][nH+1];
+      y[2] = PCHf[nC+1][nH];
+      y[3] = PCHf[nC+1][nH+1];
+      Spbicubic_patch_coeffs(nC, nC+1, nH, nH+1, y, y1, y2, &pCH[nC][nH][0]);
+    }
+  }
 }
diff --git a/src/MANYBODY/pair_rebo.h b/src/MANYBODY/pair_rebo.h
index be1e1f0b551ccd2a5b9bc3550e0a6d71682a48e5..9c1a12d4de52fe5e3e53a39e73e191f54cb83a4e 100644
--- a/src/MANYBODY/pair_rebo.h
+++ b/src/MANYBODY/pair_rebo.h
@@ -28,6 +28,7 @@ class PairREBO : public PairAIREBO {
  public:
   PairREBO(class LAMMPS *);
   void settings(int, char **);
+  void spline_init();
 };
 
 }
diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp
index 91e11b3d26030c570c1b1a326e8336ddee7972f9..5a148fb15271de5b8e9b4eb890b0fcf696d9e216 100644
--- a/src/MANYBODY/pair_sw.cpp
+++ b/src/MANYBODY/pair_sw.cpp
@@ -91,8 +91,7 @@ void PairSW::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp
index 54101aef9e4c3c0b391313f2d4eb2dd525460683..213b1037bb531293b753a7bd1e5e65488e3d24af 100644
--- a/src/MANYBODY/pair_tersoff.cpp
+++ b/src/MANYBODY/pair_tersoff.cpp
@@ -93,8 +93,7 @@ void PairTersoff::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp
index b4c3086ca891decb8c501c4f501cfe535c95aa56..3d4b1d900efba5d8359fdc046d4002a4a0570113 100644
--- a/src/MANYBODY/pair_vashishta.cpp
+++ b/src/MANYBODY/pair_vashishta.cpp
@@ -93,8 +93,7 @@ void PairVashishta::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MANYBODY/pair_vashishta_table.cpp b/src/MANYBODY/pair_vashishta_table.cpp
index 1055db99fa8b06df3e880280d839aafd19ef1650..d4eaa59f1a1aa2a35ef36a5ee26b7c2dfa30b11d 100644
--- a/src/MANYBODY/pair_vashishta_table.cpp
+++ b/src/MANYBODY/pair_vashishta_table.cpp
@@ -64,8 +64,7 @@ void PairVashishtaTable::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp
index 12b5d65f4ad821530b6000c06c4b057e0211d11f..7d817ffbb19e87a41299cbbe85e3d12a743db16c 100644
--- a/src/MC/fix_atom_swap.cpp
+++ b/src/MC/fix_atom_swap.cpp
@@ -771,10 +771,13 @@ double FixAtomSwap::memory_usage()
 void FixAtomSwap::write_restart(FILE *fp)
 {
   int n = 0;
-  double list[4];
+  double list[6];
   list[n++] = random_equal->state();
   list[n++] = random_unequal->state();
-  list[n++] = next_reneighbor;
+  list[n++] = ubuf(next_reneighbor).d;
+  list[n++] = nswap_attempts;
+  list[n++] = nswap_successes;
+  list[n++] = ubuf(update->ntimestep).d;
 
   if (comm->me == 0) {
     int size = n * sizeof(double);
@@ -798,5 +801,12 @@ void FixAtomSwap::restart(char *buf)
   seed = static_cast<int> (list[n++]);
   random_unequal->reset(seed);
 
-  next_reneighbor = static_cast<int> (list[n++]);
+  next_reneighbor = (bigint) ubuf(list[n++]).i;
+
+  nswap_attempts = static_cast<int>(list[n++]);
+  nswap_successes = static_cast<int>(list[n++]);
+
+  bigint ntimestep_restart = (bigint) ubuf(list[n++]).i;
+  if (ntimestep_restart != update->ntimestep)
+    error->all(FLERR,"Must not reset timestep when restarting fix atom/swap");
 }
diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp
index a1c9bb3ab00a61fae6cf9c3ba9c680633673508b..05edc0509ebca67a3e062d6a70ee012a0dd3376b 100644
--- a/src/MC/fix_bond_break.cpp
+++ b/src/MC/fix_bond_break.cpp
@@ -800,26 +800,27 @@ void FixBondBreak::print_bb()
   for (int i = 0; i < atom->nlocal; i++) {
     printf("TAG " TAGINT_FORMAT ": %d nbonds: ",atom->tag[i],atom->num_bond[i]);
     for (int j = 0; j < atom->num_bond[i]; j++) {
-      printf(" %d",atom->bond_atom[i][j]);
+      printf(" " TAGINT_FORMAT, atom->bond_atom[i][j]);
     }
     printf("\n");
     printf("TAG " TAGINT_FORMAT ": %d nangles: ",atom->tag[i],atom->num_angle[i]);
     for (int j = 0; j < atom->num_angle[i]; j++) {
-      printf(" %d %d %d,",atom->angle_atom1[i][j],
-             atom->angle_atom2[i][j],atom->angle_atom3[i][j]);
+      printf(" " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT ",",
+             atom->angle_atom1[i][j],atom->angle_atom2[i][j],
+             atom->angle_atom3[i][j]);
     }
     printf("\n");
     printf("TAG " TAGINT_FORMAT ": %d ndihedrals: ",atom->tag[i],atom->num_dihedral[i]);
     for (int j = 0; j < atom->num_dihedral[i]; j++) {
-      printf(" %d %d %d %d,",atom->dihedral_atom1[i][j],
-             atom->dihedral_atom2[i][j],atom->dihedral_atom3[i][j],
-             atom->dihedral_atom4[i][j]);
+      printf(" " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT ",",
+             atom->dihedral_atom1[i][j],atom->dihedral_atom2[i][j],
+             atom->dihedral_atom3[i][j],atom->dihedral_atom4[i][j]);
     }
     printf("\n");
     printf("TAG " TAGINT_FORMAT ": %d %d %d nspecial: ",atom->tag[i],
            atom->nspecial[i][0],atom->nspecial[i][1],atom->nspecial[i][2]);
     for (int j = 0; j < atom->nspecial[i][2]; j++) {
-      printf(" %d",atom->special[i][j]);
+      printf(" " TAGINT_FORMAT, atom->special[i][j]);
     }
     printf("\n");
   }
@@ -830,7 +831,7 @@ void FixBondBreak::print_bb()
 void FixBondBreak::print_copy(const char *str, tagint m,
                               int n1, int n2, int n3, int *v)
 {
-  printf("%s %i: %d %d %d nspecial: ",str,m,n1,n2,n3);
+  printf("%s " TAGINT_FORMAT ": %d %d %d nspecial: ",str,m,n1,n2,n3);
   for (int j = 0; j < n3; j++) printf(" %d",v[j]);
   printf("\n");
 }
diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index f1664e35402a62cabde7ae00422c06581e5d6393..7ab087933517ae03a7a0794f3917e784ccde95e8 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -2531,10 +2531,19 @@ double FixGCMC::memory_usage()
 void FixGCMC::write_restart(FILE *fp)
 {
   int n = 0;
-  double list[4];
+  double list[12];
   list[n++] = random_equal->state();
   list[n++] = random_unequal->state();
-  list[n++] = next_reneighbor;
+  list[n++] = ubuf(next_reneighbor).d;
+  list[n++] = ntranslation_attempts;
+  list[n++] = ntranslation_successes;
+  list[n++] = nrotation_attempts;
+  list[n++] = nrotation_successes;
+  list[n++] = ndeletion_attempts;
+  list[n++] = ndeletion_successes;
+  list[n++] = ninsertion_attempts;
+  list[n++] = ninsertion_successes;
+  list[n++] = ubuf(update->ntimestep).d;
 
   if (comm->me == 0) {
     int size = n * sizeof(double);
@@ -2558,7 +2567,20 @@ void FixGCMC::restart(char *buf)
   seed = static_cast<int> (list[n++]);
   random_unequal->reset(seed);
 
-  next_reneighbor = static_cast<int> (list[n++]);
+  next_reneighbor = (bigint) ubuf(list[n++]).i;
+
+  ntranslation_attempts  = list[n++];
+  ntranslation_successes = list[n++];
+  nrotation_attempts     = list[n++];
+  nrotation_successes    = list[n++];
+  ndeletion_attempts     = list[n++];
+  ndeletion_successes    = list[n++];
+  ninsertion_attempts    = list[n++];
+  ninsertion_successes   = list[n++];
+
+  bigint ntimestep_restart = (bigint) ubuf(list[n++]).i;
+  if (ntimestep_restart != update->ntimestep)
+    error->all(FLERR,"Must not reset timestep when restarting fix gcmc");
 }
 
 void FixGCMC::grow_molecule_arrays(int nmolatoms) {
diff --git a/src/MESSAGE/fix_client_md.cpp b/src/MESSAGE/fix_client_md.cpp
index 9c1bfcc7967a2fe256d7942c2c0d207dbbd08290..727481dcc0b6df765da08905c17f16ce1be00a9c 100644
--- a/src/MESSAGE/fix_client_md.cpp
+++ b/src/MESSAGE/fix_client_md.cpp
@@ -89,7 +89,7 @@ FixClientMD::~FixClientMD()
 
   int nfield;
   int *fieldID,*fieldtype,*fieldlen;
-  int msgID = cs->recv(nfield,fieldID,fieldtype,fieldlen);
+  cs->recv(nfield,fieldID,fieldtype,fieldlen);
 
   // clean-up
 
@@ -173,8 +173,6 @@ void FixClientMD::min_setup(int vflag)
 
 void FixClientMD::post_force(int vflag)
 {
-  int i,j,m;
-
   // energy and virial setup
 
   if (vflag) v_setup(vflag);
@@ -286,7 +284,7 @@ void FixClientMD::receive_fev(int vflag)
   int nfield;
   int *fieldID,*fieldtype,*fieldlen;
 
-  int msgID = cs->recv(nfield,fieldID,fieldtype,fieldlen);
+  cs->recv(nfield,fieldID,fieldtype,fieldlen);
 
   double *forces = (double *) cs->unpack(FORCES);
   double **f = atom->f;
diff --git a/src/MESSAGE/message.cpp b/src/MESSAGE/message.cpp
index e9bff7d38ab510759f5dc97869e824afbd97f0df..61221ca26e0b3b558deec55d836aa8f27269f54e 100644
--- a/src/MESSAGE/message.cpp
+++ b/src/MESSAGE/message.cpp
@@ -22,10 +22,6 @@
 using namespace LAMMPS_NS;
 using namespace CSLIB_NS;
 
-// customize by adding a new server protocol enum
-
-enum{MD,MC};
-
 /* ---------------------------------------------------------------------- */
 
 void Message::command(int narg, char **arg)
@@ -38,12 +34,10 @@ void Message::command(int narg, char **arg)
   else error->all(FLERR,"Illegal message command");
   lmp->clientserver = clientserver;
 
-  // customize by adding a new server protocol
+  // validate supported protocols
 
-  int protocol;
-  if (strcmp(arg[1],"md") == 0) protocol = MD;
-  else if (strcmp(arg[1],"mc") == 0) protocol = MC;
-  else error->all(FLERR,"Unknown message protocol");
+  if ((strcmp(arg[1],"md") != 0) && (strcmp(arg[1],"mc") != 0))
+    error->all(FLERR,"Unknown message protocol");
 
   // instantiate CSlib with chosen communication mode
 
diff --git a/src/MESSAGE/server_mc.cpp b/src/MESSAGE/server_mc.cpp
index 8e9a2979126de10caf6da538d9fafcbad28c37af..8152b1f772629ada1d120f3e9f63a7b7afe17275 100644
--- a/src/MESSAGE/server_mc.cpp
+++ b/src/MESSAGE/server_mc.cpp
@@ -37,8 +37,8 @@ ServerMC::ServerMC(LAMMPS *lmp) : Pointers(lmp) {}
 
 void ServerMC::loop()
 {
-  int i,j,m;
-  double xold[3],xnew[3];
+  int m;
+  double xold[3];
   tagint atomid;
 
   CSlib *cs = (CSlib *) lmp->cslib;
diff --git a/src/MESSAGE/server_md.cpp b/src/MESSAGE/server_md.cpp
index 8debd3a98791c8c3e65668f7f0add542f158cb01..bef327616ea4d7283a8b343efdea2f10fb3b6582 100644
--- a/src/MESSAGE/server_md.cpp
+++ b/src/MESSAGE/server_md.cpp
@@ -78,7 +78,7 @@ ServerMD::~ServerMD()
 
 void ServerMD::loop()
 {
-  int i,j,m;
+  int j,m;
 
   // cs = instance of CSlib
 
diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp
index 1428299eb7d8366446cff2323f7c5f7496311f5e..66aed348466d3f427f154a3eb85c54d43544b782 100644
--- a/src/MISC/fix_deposit.cpp
+++ b/src/MISC/fix_deposit.cpp
@@ -798,11 +798,12 @@ void FixDeposit::options(int narg, char **arg)
 void FixDeposit::write_restart(FILE *fp)
 {
   int n = 0;
-  double list[4];
+  double list[5];
   list[n++] = random->state();
   list[n++] = ninserted;
   list[n++] = nfirst;
-  list[n++] = next_reneighbor;
+  list[n++] = ubuf(next_reneighbor).d;
+  list[n++] = ubuf(update->ntimestep).d;
 
   if (comm->me == 0) {
     int size = n * sizeof(double);
@@ -823,7 +824,11 @@ void FixDeposit::restart(char *buf)
   seed = static_cast<int> (list[n++]);
   ninserted = static_cast<int> (list[n++]);
   nfirst = static_cast<int> (list[n++]);
-  next_reneighbor = static_cast<int> (list[n++]);
+  next_reneighbor = (bigint) ubuf(list[n++]).i;
+
+  bigint ntimestep_restart = (bigint) ubuf(list[n++]).i;
+  if (ntimestep_restart != update->ntimestep)
+    error->all(FLERR,"Must not reset timestep when restarting this fix");
 
   random->reset(seed);
 }
diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp
index c61457793324f7ea14afd629a0044d7bfb251052..02cce5a0140cf09ad595cfd575ee36b17b79fdb5 100644
--- a/src/MISC/fix_orient_bcc.cpp
+++ b/src/MISC/fix_orient_bcc.cpp
@@ -115,25 +115,25 @@ FixOrientBCC::FixOrientBCC(LAMMPS *lmp, int narg, char **arg) :
     char *result;
     int count;
 
-    FILE *infile = fopen(xifilename,"r");
-    if (infile == NULL) error->one(FLERR,"Fix orient/bcc file open failed");
+    FILE *inpfile = fopen(xifilename,"r");
+    if (inpfile == NULL) error->one(FLERR,"Fix orient/bcc file open failed");
     for (int i = 0; i < 4; i++) {
-      result = fgets(line,IMGMAX,infile);
+      result = fgets(line,IMGMAX,inpfile);
       if (!result) error->one(FLERR,"Fix orient/bcc file read failed");
       count = sscanf(line,"%lg %lg %lg",&Rxi[i][0],&Rxi[i][1],&Rxi[i][2]);
       if (count != 3) error->one(FLERR,"Fix orient/bcc file read failed");
     }
-    fclose(infile);
+    fclose(inpfile);
 
-    infile = fopen(chifilename,"r");
-    if (infile == NULL) error->one(FLERR,"Fix orient/bcc file open failed");
+    inpfile = fopen(chifilename,"r");
+    if (inpfile == NULL) error->one(FLERR,"Fix orient/bcc file open failed");
     for (int i = 0; i < 4; i++) {
-      result = fgets(line,IMGMAX,infile);
+      result = fgets(line,IMGMAX,inpfile);
       if (!result) error->one(FLERR,"Fix orient/bcc file read failed");
       count = sscanf(line,"%lg %lg %lg",&Rchi[i][0],&Rchi[i][1],&Rchi[i][2]);
       if (count != 3) error->one(FLERR,"Fix orient/bcc file read failed");
     }
-    fclose(infile);
+    fclose(inpfile);
   }
 
   MPI_Bcast(&Rxi[0][0],18,MPI_DOUBLE,0,world);
diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp
index 5b394adde70fdbe0dc3a18e9ff2439c9a71ecbec..fc827ceb8f39ac30d1cd6c0b8e67a81154aa7031 100644
--- a/src/MISC/fix_orient_fcc.cpp
+++ b/src/MISC/fix_orient_fcc.cpp
@@ -113,25 +113,25 @@ FixOrientFCC::FixOrientFCC(LAMMPS *lmp, int narg, char **arg) :
     char *result;
     int count;
 
-    FILE *infile = fopen(xifilename,"r");
-    if (infile == NULL) error->one(FLERR,"Fix orient/fcc file open failed");
+    FILE *inpfile = fopen(xifilename,"r");
+    if (inpfile == NULL) error->one(FLERR,"Fix orient/fcc file open failed");
     for (int i = 0; i < 6; i++) {
-      result = fgets(line,IMGMAX,infile);
+      result = fgets(line,IMGMAX,inpfile);
       if (!result) error->one(FLERR,"Fix orient/fcc file read failed");
       count = sscanf(line,"%lg %lg %lg",&Rxi[i][0],&Rxi[i][1],&Rxi[i][2]);
       if (count != 3) error->one(FLERR,"Fix orient/fcc file read failed");
     }
-    fclose(infile);
+    fclose(inpfile);
 
-    infile = fopen(chifilename,"r");
-    if (infile == NULL) error->one(FLERR,"Fix orient/fcc file open failed");
+    inpfile = fopen(chifilename,"r");
+    if (inpfile == NULL) error->one(FLERR,"Fix orient/fcc file open failed");
     for (int i = 0; i < 6; i++) {
-      result = fgets(line,IMGMAX,infile);
+      result = fgets(line,IMGMAX,inpfile);
       if (!result) error->one(FLERR,"Fix orient/fcc file read failed");
       count = sscanf(line,"%lg %lg %lg",&Rchi[i][0],&Rchi[i][1],&Rchi[i][2]);
       if (count != 3) error->one(FLERR,"Fix orient/fcc file read failed");
     }
-    fclose(infile);
+    fclose(inpfile);
   }
 
   MPI_Bcast(&Rxi[0][0],18,MPI_DOUBLE,0,world);
diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp
index 4b1611b13779bc3f9874583107c59210fdf39c3e..124832b63eb6c12bd8d35d7b1856a13b7325875a 100644
--- a/src/MISC/pair_nm_cut.cpp
+++ b/src/MISC/pair_nm_cut.cpp
@@ -70,8 +70,7 @@ void PairNMCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp
index 999fab1d6e7065c35b93b4e0ed5292982e787653..a8428ab98025b9d99ffd3b5393a542114d3d38d5 100644
--- a/src/MISC/pair_nm_cut_coul_cut.cpp
+++ b/src/MISC/pair_nm_cut_coul_cut.cpp
@@ -74,8 +74,7 @@ void PairNMCutCoulCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -488,9 +487,8 @@ double PairNMCutCoulCut::single(int i, int j, int itype, int jtype,
 
 void *PairNMCutCoulCut::extract(const char *str, int &dim)
 {
-  dim = 0;
-  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   dim = 2;
+  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   if (strcmp(str,"e0") == 0) return (void *) e0;
   if (strcmp(str,"r0") == 0) return (void *) r0;
   if (strcmp(str,"nn") == 0) return (void *) nn;
diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp
index fb82436dba8ca6059118d22c6a93c6331abde9e6..af21f02881bebb5bd9afc73f0a94ce87cdceaa4e 100644
--- a/src/MISC/pair_nm_cut_coul_long.cpp
+++ b/src/MISC/pair_nm_cut_coul_long.cpp
@@ -90,8 +90,7 @@ void PairNMCutCoulLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_charmm.cpp b/src/MOLECULE/angle_charmm.cpp
index 3608601c1fdb73ccf0c20b9910ee3101c32bdbfe..efd1c682f7e52abf52db31773f98ec04932f682b 100644
--- a/src/MOLECULE/angle_charmm.cpp
+++ b/src/MOLECULE/angle_charmm.cpp
@@ -61,8 +61,7 @@ void AngleCharmm::compute(int eflag, int vflag)
   double delxUB,delyUB,delzUB,rsqUB,rUB,dr,rk,forceUB;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_cosine.cpp b/src/MOLECULE/angle_cosine.cpp
index 18763e1b76c57d62b16efc14c6e799d697d14cb6..6e1b9fa2fb44fea89300ca3545d24ece7ae880ab 100644
--- a/src/MOLECULE/angle_cosine.cpp
+++ b/src/MOLECULE/angle_cosine.cpp
@@ -52,8 +52,7 @@ void AngleCosine::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_cosine_delta.cpp b/src/MOLECULE/angle_cosine_delta.cpp
index 6f4f5c20d71198cb00b2b5469e43c0fefee0fe2f..eca10970f2cc59db564543e52e3c39ca9c4b033c 100644
--- a/src/MOLECULE/angle_cosine_delta.cpp
+++ b/src/MOLECULE/angle_cosine_delta.cpp
@@ -44,8 +44,7 @@ void AngleCosineDelta::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,a,cot,a11,a12,a22,b11,b12,b22,c0,s0,s;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp
index e8dd970b3b30ec92df5b6219e3d350a3a7f4dba7..cb0a26871ae44e105e94815890d880a5da881d3b 100644
--- a/src/MOLECULE/angle_cosine_periodic.cpp
+++ b/src/MOLECULE/angle_cosine_periodic.cpp
@@ -61,8 +61,7 @@ void AngleCosinePeriodic::compute(int eflag, int vflag)
   double tn,tn_1,tn_2,un,un_1,un_2;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_cosine_squared.cpp b/src/MOLECULE/angle_cosine_squared.cpp
index c83ba90a60f35b1db16fde1c3a2cb53c31eafa82..28d63344a49929f69a7d9fbcf1632b72658cc93f 100644
--- a/src/MOLECULE/angle_cosine_squared.cpp
+++ b/src/MOLECULE/angle_cosine_squared.cpp
@@ -62,8 +62,7 @@ void AngleCosineSquared::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_harmonic.cpp b/src/MOLECULE/angle_harmonic.cpp
index d28afd76d688ca2a0a1a8d39d0724dc84a5210b9..48b493d9b2b7741d90bb7172a9e7bae27c0d74c3 100644
--- a/src/MOLECULE/angle_harmonic.cpp
+++ b/src/MOLECULE/angle_harmonic.cpp
@@ -58,8 +58,7 @@ void AngleHarmonic::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,s,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp
index 6c1af54dcf7c0309eebedd00a3e281d662f9bf9f..c18b4c43b0bd8ad8a360f8b783df7f673f267e3f 100644
--- a/src/MOLECULE/angle_table.cpp
+++ b/src/MOLECULE/angle_table.cpp
@@ -72,8 +72,7 @@ void AngleTable::compute(int eflag, int vflag)
   double theta,u,mdu; //mdu: minus du, -du/dx=f
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -501,7 +500,7 @@ void AngleTable::param_extract(Table *tb, char *line)
 {
   tb->ninput = 0;
   tb->fpflag = 0;
-  tb->theta0 = 180.0;
+  tb->theta0 = MY_PI;
 
   char *word = strtok(line," \t\n\r\f");
   while (word) {
@@ -518,7 +517,7 @@ void AngleTable::param_extract(Table *tb, char *line)
       tb->fphi *= (180.0/MY_PI)*(180.0/MY_PI);
     } else if (strcmp(word,"EQ") == 0) {
       word = strtok(NULL," \t\n\r\f");
-      tb->theta0 = atof(word);
+      tb->theta0 = atof(word)/180.0*MY_PI;
     } else {
       error->one(FLERR,"Invalid keyword in angle table parameters");
     }
diff --git a/src/MOLECULE/bond_fene.cpp b/src/MOLECULE/bond_fene.cpp
index 671290b0add318040bcb94fd8026c3294f28aede..c023a7e81ed9633cbcb6a35aa70913f4e2f30f85 100644
--- a/src/MOLECULE/bond_fene.cpp
+++ b/src/MOLECULE/bond_fene.cpp
@@ -54,8 +54,7 @@ void BondFENE::compute(int eflag, int vflag)
   double rsq,r0sq,rlogarg,sr2,sr6;
 
   ebond = sr6 = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_fene_expand.cpp b/src/MOLECULE/bond_fene_expand.cpp
index 3e191683fb8354240ad588fb4b6a764162918a0d..b1bfdc6a1b9b5fac937a4d48eac66ee1c7e9535b 100644
--- a/src/MOLECULE/bond_fene_expand.cpp
+++ b/src/MOLECULE/bond_fene_expand.cpp
@@ -56,8 +56,7 @@ void BondFENEExpand::compute(int eflag, int vflag)
   double r,rshift,rshiftsq;
 
   ebond = sr6 = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_gromos.cpp b/src/MOLECULE/bond_gromos.cpp
index 57091903afa83d0bb1b8af0f65450de21e7af628..f65adeb2cbffb551e07c42d4573d889af158c217 100644
--- a/src/MOLECULE/bond_gromos.cpp
+++ b/src/MOLECULE/bond_gromos.cpp
@@ -55,8 +55,7 @@ void BondGromos::compute(int eflag, int vflag)
   double delx,dely,delz,ebond,fbond;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_harmonic.cpp b/src/MOLECULE/bond_harmonic.cpp
index fb4581d0d656dbb6a83ea0fcc203927b73c56d25..cb8434ce6edfab9a22f3985abcc8e7e0561ac7dc 100644
--- a/src/MOLECULE/bond_harmonic.cpp
+++ b/src/MOLECULE/bond_harmonic.cpp
@@ -52,8 +52,7 @@ void BondHarmonic::compute(int eflag, int vflag)
   double rsq,r,dr,rk;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp
index 06af28f2b0c1f780b86288c502ffcabd1457c03b..91dd2dbc490bc55fd8760b7f786d52d3c5f73b7f 100644
--- a/src/MOLECULE/bond_morse.cpp
+++ b/src/MOLECULE/bond_morse.cpp
@@ -53,8 +53,7 @@ void BondMorse::compute(int eflag, int vflag)
   double rsq,r,dr,ralpha;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_nonlinear.cpp b/src/MOLECULE/bond_nonlinear.cpp
index 645b08177919a444f512d32eb090358fcc609f03..9999ead47f31985404774018564af752ed48f972 100644
--- a/src/MOLECULE/bond_nonlinear.cpp
+++ b/src/MOLECULE/bond_nonlinear.cpp
@@ -49,8 +49,7 @@ void BondNonlinear::compute(int eflag, int vflag)
   double rsq,r,dr,drsq,lamdasq,denom,denomsq;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/bond_quartic.cpp b/src/MOLECULE/bond_quartic.cpp
index f200030d6cccae7df156da3389d8f14715059a3a..895202ff0079fcb15afa23578b0d570bd6ef9526 100644
--- a/src/MOLECULE/bond_quartic.cpp
+++ b/src/MOLECULE/bond_quartic.cpp
@@ -60,8 +60,7 @@ void BondQuartic::compute(int eflag, int vflag)
   double r,rsq,dr,r2,ra,rb,sr2,sr6;
 
   ebond = evdwl = sr6 = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp
index c75779922abf33e50ade04fa9d05b93be0a1b6c4..10851774d70758dea7ef9e2e3aeab2e144f84535 100644
--- a/src/MOLECULE/bond_table.cpp
+++ b/src/MOLECULE/bond_table.cpp
@@ -68,8 +68,7 @@ void BondTable::compute(int eflag, int vflag)
   double u,mdu;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -504,7 +503,7 @@ void BondTable::param_extract(Table *tb, char *line)
 void BondTable::bcast_table(Table *tb)
 {
   MPI_Bcast(&tb->ninput,1,MPI_INT,0,world);
-  MPI_Bcast(&tb->r0,1,MPI_INT,0,world);
+  MPI_Bcast(&tb->r0,1,MPI_DOUBLE,0,world);
 
   int me;
   MPI_Comm_rank(world,&me);
@@ -523,7 +522,6 @@ void BondTable::bcast_table(Table *tb)
     MPI_Bcast(&tb->fplo,1,MPI_DOUBLE,0,world);
     MPI_Bcast(&tb->fphi,1,MPI_DOUBLE,0,world);
   }
-  MPI_Bcast(&tb->r0,1,MPI_INT,0,world);
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp
index 2372fae38b696a01b61cdce87cc83c62e60ee50c..68c62eb4fd338a2ef73bf66c940915f85c9be05d 100644
--- a/src/MOLECULE/dihedral_charmm.cpp
+++ b/src/MOLECULE/dihedral_charmm.cpp
@@ -76,8 +76,7 @@ void DihedralCharmm::compute(int eflag, int vflag)
   double forcecoul,forcelj,fpair,ecoul,evdwl;
 
   edihedral = evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp
index 99a53336205f3b5f20623320dd8fa8b092a40073..f65d01e9ed326c6cedd94bf1db607ec539864513 100644
--- a/src/MOLECULE/dihedral_charmmfsw.cpp
+++ b/src/MOLECULE/dihedral_charmmfsw.cpp
@@ -79,8 +79,7 @@ void DihedralCharmmfsw::compute(int eflag, int vflag)
   double forcecoul,forcelj,fpair,ecoul,evdwl;
 
   edihedral = evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp
index cb122f4bc2b7166ae84a70f3199c0a042dfddcbd..ddb94dc571aa591dc28fae710beda8b7ee23ee69 100644
--- a/src/MOLECULE/dihedral_harmonic.cpp
+++ b/src/MOLECULE/dihedral_harmonic.cpp
@@ -67,8 +67,7 @@ void DihedralHarmonic::compute(int eflag, int vflag)
   double c,s,p,sx2,sy2,sz2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp
index ae23b77951dda47600972f86df05636db8757001..d19731c0970f91dfd06c6f34f7821bcd318f2457 100644
--- a/src/MOLECULE/dihedral_helix.cpp
+++ b/src/MOLECULE/dihedral_helix.cpp
@@ -39,7 +39,10 @@ using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralHelix::DihedralHelix(LAMMPS *lmp) : Dihedral(lmp) {}
+DihedralHelix::DihedralHelix(LAMMPS *lmp) : Dihedral(lmp)
+{
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -67,8 +70,7 @@ void DihedralHelix::compute(int eflag, int vflag)
   double s2,cx,cy,cz,cmag,dx,phi,si,siinv,sin2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp
index f6461abb6e9fbf3ef84fbb82935755d73639c751..04e7bbb62754b9d1501819533aefcfca7e6a8a4d 100644
--- a/src/MOLECULE/dihedral_multi_harmonic.cpp
+++ b/src/MOLECULE/dihedral_multi_harmonic.cpp
@@ -34,7 +34,10 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralMultiHarmonic::DihedralMultiHarmonic(LAMMPS *lmp) : Dihedral(lmp) {}
+DihedralMultiHarmonic::DihedralMultiHarmonic(LAMMPS *lmp) : Dihedral(lmp)
+{
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -64,8 +67,7 @@ void DihedralMultiHarmonic::compute(int eflag, int vflag)
   double s2,sin2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp
index b5103413b227d2402f4e9e3f563632ac2b914f9a..293245e41145b7573a889b4b348c2c51005a0b99 100644
--- a/src/MOLECULE/dihedral_opls.cpp
+++ b/src/MOLECULE/dihedral_opls.cpp
@@ -67,8 +67,7 @@ void DihedralOPLS::compute(int eflag, int vflag)
   double s2,cx,cy,cz,cmag,dx,phi,si,siinv,sin2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp
index ec2588e61b8bc9201d6a484000aecb0396c2d773..3395c7ef14a5e94e73e05c15ba99961641e63a80 100644
--- a/src/MOLECULE/fix_cmap.cpp
+++ b/src/MOLECULE/fix_cmap.cpp
@@ -341,8 +341,7 @@ void FixCMAP::post_force(int vflag)
 
   ecmap = 0.0;
   int eflag = eflag_caller;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   for (n = 0; n < ncrosstermlist; n++) {
     i1 = crosstermlist[n][0];
diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp
index 641eea74a88f63aa40084d3d38b08f90c5a9c1c9..01e9729e80c628e69fad9d67220c7259ba8936b7 100644
--- a/src/MOLECULE/improper_cvff.cpp
+++ b/src/MOLECULE/improper_cvff.cpp
@@ -61,8 +61,7 @@ void ImproperCvff::compute(int eflag, int vflag)
   double a33,a12,a13,a23,sx2,sy2,sz2;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp
index 091bd463163488cba7a36dac2e114e1e272e6a0e..c5421fffdb4b61df2fd651e3588d4ed4ddf2be89 100644
--- a/src/MOLECULE/improper_harmonic.cpp
+++ b/src/MOLECULE/improper_harmonic.cpp
@@ -61,8 +61,7 @@ void ImproperHarmonic::compute(int eflag, int vflag)
   double sx2,sy2,sz2;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp
index 8ed3d3a84cd6437a6c0894f9d7140c231234aa75..3de46df0f34e54842ae9de39f791d46c8567ca6b 100644
--- a/src/MOLECULE/improper_umbrella.cpp
+++ b/src/MOLECULE/improper_umbrella.cpp
@@ -65,8 +65,7 @@ void ImproperUmbrella::compute(int eflag, int vflag)
   double ax,ay,az,ra2,rh2,ra,rh,rar,rhr,arx,ary,arz,hrx,hry,hrz;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
index c0c885d4d4ccd3cb144cc7d6958c384f5cc58d2b..ddc11100819169035f3931e5eb92d1a3efb8d8fe 100644
--- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp
+++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
@@ -91,8 +91,7 @@ void PairHbondDreidingLJ::compute(int eflag, int vflag)
   tagint *klist;
 
   evdwl = ehbond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp
index f464d2c621f38183ce57eb72e14525b8a23c7e9e..055f0ed46b88128baaca7c045fcc903d5962a3f7 100644
--- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp
+++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp
@@ -61,8 +61,7 @@ void PairHbondDreidingMorse::compute(int eflag, int vflag)
   tagint *klist;
 
   evdwl = ehbond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
index 688c675815ad7efa3fa4bd6fec4e08a7e79108ca..af4611e0148517ffdb5c31f8ac42ee7491c6571c 100644
--- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
+++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
@@ -43,8 +43,9 @@ PairLJCharmmCoulCharmm::PairLJCharmmCoulCharmm(LAMMPS *lmp) : Pair(lmp)
 
 PairLJCharmmCoulCharmm::~PairLJCharmmCoulCharmm()
 {
-  if (!copymode) {
-   if (allocated) {
+  if (copymode) return;
+
+  if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 
@@ -60,7 +61,6 @@ PairLJCharmmCoulCharmm::~PairLJCharmmCoulCharmm()
     memory->destroy(lj14_2);
     memory->destroy(lj14_3);
     memory->destroy(lj14_4);
-   }
   }
 }
 
@@ -75,8 +75,7 @@ void PairLJCharmmCoulCharmm::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp
index 6c083a49b09ac84ca950abe8c4ca83d6f7e2123c..d68d5e8f6d669d716a58b600a04b52fe052ed981 100644
--- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp
+++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp
@@ -39,8 +39,7 @@ void PairLJCharmmCoulCharmmImplicit::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
index 4b9147c1698a3a3eaab1ede1a648380ceb180dac..0e1cbd85a5b91d11c9071d051c56fb6fc7dab0cc 100644
--- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
+++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
@@ -62,26 +62,6 @@ PairLJCharmmfswCoulCharmmfsh::PairLJCharmmfswCoulCharmmfsh(LAMMPS *lmp) :
 
 PairLJCharmmfswCoulCharmmfsh::~PairLJCharmmfswCoulCharmmfsh()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(eps14);
-      memory->destroy(sigma14);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(lj14_1);
-      memory->destroy(lj14_2);
-      memory->destroy(lj14_3);
-      memory->destroy(lj14_4);
-    }
-  }
-
   // switch qqr2e back from CHARMM value to LAMMPS value
 
   if (update && strcmp(update->unit_style,"real") == 0) {
@@ -90,6 +70,26 @@ PairLJCharmmfswCoulCharmmfsh::~PairLJCharmmfswCoulCharmmfsh()
                      " conversion constant");
     force->qqr2e = force->qqr2e_lammps_real;
   }
+
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(eps14);
+    memory->destroy(sigma14);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(lj14_1);
+    memory->destroy(lj14_2);
+    memory->destroy(lj14_3);
+    memory->destroy(lj14_4);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -103,8 +103,7 @@ void PairLJCharmmfswCoulCharmmfsh::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
index 92dead8435237b593d154d0f8337d8f1d6207240..2b3d2c60f5d686c0706fb6efd09fc2ba72db01e6 100644
--- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
+++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
@@ -91,8 +91,7 @@ void PairLJCutTIP4PCut::compute(int eflag, int vflag)
   double *x1,*x2,*xH1,*xH2;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp
index 79dd79b18013094187985c8a72d66f6e72fa1eaf..e6fb9aab99e0eeb3c60f1dd0f7ecb376686f3a11 100644
--- a/src/MOLECULE/pair_tip4p_cut.cpp
+++ b/src/MOLECULE/pair_tip4p_cut.cpp
@@ -79,8 +79,7 @@ void PairTIP4PCut::compute(int eflag, int vflag)
   double *x1,*x2,*xH1,*xH2;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/Make.sh b/src/Make.sh
index 83880780ecf30117dcdc98cd779d0b9cc4a6eefc..49a673d8ee41fc4eb851709a25067592be857889 100755
--- a/src/Make.sh
+++ b/src/Make.sh
@@ -55,6 +55,34 @@ style () {
   fi
 }
 
+packages () {
+  list=`grep -sl $1 */$2*.h`
+  if (test -e packages_$3.tmp) then
+    rm -f packages_$3.tmp
+  fi
+  for file in $list; do
+    dir="\"`dirname $file`\""
+    echo "#undef PACKAGE" >> packages_$3.tmp
+    echo "#define PACKAGE $dir" >> packages_$3.tmp
+    qfile="\"$file\""
+    echo "#include $qfile" >> packages_$3.tmp
+  done
+  if (test ! -e packages_$3.tmp) then
+    if (test ! -e packages_$3.h) then
+      touch packages_$3.h
+    elif (test "`cat packages_$3.h`" != "") then
+      rm -f packages_$3.h
+      touch packages_$3.h
+    fi
+  elif (test ! -e packages_$3.h) then
+    mv packages_$3.tmp packages_$3.h
+  elif (test "`diff --brief packages_$3.h packages_$3.tmp`" != "") then
+    mv packages_$3.tmp packages_$3.h
+  else
+    rm -f packages_$3.tmp
+  fi
+}
+
 # create individual style files
 # called by "make machine"
 # col 1 = string to search for
@@ -63,28 +91,30 @@ style () {
 # col 4 = file that includes the style file
 # col 5 = optional 2nd file that includes the style file
 
-if (test $1 = "style") then
-
-  style ANGLE_CLASS     angle_      angle      force
-  style ATOM_CLASS      atom_vec_   atom       atom      atom_vec_hybrid
-  style BODY_CLASS      body_       body       atom_vec_body
-  style BOND_CLASS      bond_       bond       force
-  style COMMAND_CLASS   ""          command    input
-  style COMPUTE_CLASS   compute_    compute    modify
-  style DIHEDRAL_CLASS  dihedral_   dihedral   force
-  style DUMP_CLASS      dump_       dump       output    write_dump
-  style FIX_CLASS       fix_        fix        modify
-  style IMPROPER_CLASS  improper_   improper   force
-  style INTEGRATE_CLASS ""          integrate  update
-  style KSPACE_CLASS    ""          kspace     force
-  style MINIMIZE_CLASS  min_        minimize   update
-  style NBIN_CLASS      nbin_       nbin       neighbor
-  style NPAIR_CLASS     npair_      npair      neighbor
-  style NSTENCIL_CLASS  nstencil_   nstencil   neighbor
-  style NTOPO_CLASS     ntopo_      ntopo      neighbor
-  style PAIR_CLASS      pair_       pair       force
-  style READER_CLASS    reader_     reader     read_dump
-  style REGION_CLASS    region_     region     domain
+cmd=$1
+
+if (test $cmd = "style") || (test $cmd = "packages") then
+
+  $cmd ANGLE_CLASS     angle_      angle      force
+  $cmd ATOM_CLASS      atom_vec_   atom       atom      atom_vec_hybrid
+  $cmd BODY_CLASS      body_       body       atom_vec_body
+  $cmd BOND_CLASS      bond_       bond       force
+  $cmd COMMAND_CLASS   ""          command    input
+  $cmd COMPUTE_CLASS   compute_    compute    modify
+  $cmd DIHEDRAL_CLASS  dihedral_   dihedral   force
+  $cmd DUMP_CLASS      dump_       dump       output    write_dump
+  $cmd FIX_CLASS       fix_        fix        modify
+  $cmd IMPROPER_CLASS  improper_   improper   force
+  $cmd INTEGRATE_CLASS ""          integrate  update
+  $cmd KSPACE_CLASS    ""          kspace     force
+  $cmd MINIMIZE_CLASS  min_        minimize   update
+  $cmd NBIN_CLASS      nbin_       nbin       neighbor
+  $cmd NPAIR_CLASS     npair_      npair      neighbor
+  $cmd NSTENCIL_CLASS  nstencil_   nstencil   neighbor
+  $cmd NTOPO_CLASS     ntopo_      ntopo      neighbor
+  $cmd PAIR_CLASS      pair_       pair       force
+  $cmd READER_CLASS    reader_     reader     read_dump
+  $cmd REGION_CLASS    region_     region     domain
 
 # edit Makefile.lib, for creating non-shared lib
 # called by "make makelib"
diff --git a/src/Makefile b/src/Makefile
index 1f0a294e8a71ecb494d885583270db0f8359e5e5..d611adc404c70d4fc7ea10327916d1bca33cbd6b 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -19,7 +19,7 @@ OBJDIR =   Obj_$@
 OBJSHDIR = Obj_shared_$@
 
 SRC =	$(wildcard *.cpp)
-INC =	$(filter-out lmpinstalledpkgs.h,$(wildcard *.h))
+INC =	$(filter-out lmpinstalledpkgs.h lmpgitversion.h,$(wildcard *.h))
 OBJ = 	$(SRC:.cpp=.o)
 
 SRCLIB = $(filter-out main.cpp,$(SRC))
@@ -58,7 +58,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
 	  molecule mpiio mscg opt peri poems \
 	  python qeq replica rigid shock snap spin srd voronoi
 
-PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
+PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
 	   user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
 	   user-intel user-lb user-manifold user-meamc user-meso \
 	   user-mgpt user-misc user-mofff user-molfile \
@@ -68,7 +68,7 @@ PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
 
 PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems \
 	  python voronoi \
-	  user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
+	  user-adios user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
 	  user-netcdf user-plumed user-qmmm user-quip user-scafacos \
 	  user-smd user-vtk
 
@@ -77,7 +77,7 @@ PACKSYS = compress mpiio python user-lb
 PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars
 
 PACKEXT = kim latte mscg voronoi \
-	  user-h5md user-molfile user-netcdf user-plumed user-qmmm user-quip \
+	  user-adios user-h5md user-molfile user-netcdf user-plumed user-qmmm user-quip \
 	  user-smd user-vtk
 
 PACKALL = $(PACKAGE) $(PACKUSER)
@@ -154,7 +154,6 @@ help:
 
 
 lmpinstalledpkgs.h: $(SRC) $(INC)
-	@echo 'Gathering installed package information (may take a little while)'
 	@echo '#ifndef LMP_INSTALLED_PKGS_H' >  ${TMPNAME}.lmpinstalled
 	@echo '#define LMP_INSTALLED_PKGS_H' >> ${TMPNAME}.lmpinstalled
 	@echo 'const char * LAMMPS_NS::LAMMPS::installed_packages[] = {' >> ${TMPNAME}.lmpinstalled
@@ -167,6 +166,31 @@ lmpinstalledpkgs.h: $(SRC) $(INC)
 	        mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h || rm ${TMPNAME}.lmpinstalled ; \
         else mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h ; fi
 
+gitversion:
+	@echo 'Gathering git version information'
+	@echo '#ifndef LMP_GIT_VERSION_H' >  ${TMPNAME}.lmpgitversion
+	@echo '#define LMP_GIT_VERSION_H' >> ${TMPNAME}.lmpgitversion
+	@if (type git && test -e ../.git ) >> /dev/null 2>> /dev/null ; then \
+	  git='true';					\
+	  commit=$$(git rev-parse HEAD);		\
+	  branch=$$(git rev-parse --abbrev-ref HEAD);	\
+	  describe=$$(git describe --dirty=-modified);	\
+	else \
+	  git='false' ;					\
+	  commit='(unknown)' ;				\
+	  branch='(unknown)' ;				\
+	  describe='(unknown)' ;			\
+	fi ; \
+	echo "const bool LAMMPS_NS::LAMMPS::has_git_info = $${git};"        >> ${TMPNAME}.lmpgitversion ; \
+	echo "const char LAMMPS_NS::LAMMPS::git_commit[] = \"$${commit}\";" >> ${TMPNAME}.lmpgitversion ; \
+	echo "const char LAMMPS_NS::LAMMPS::git_branch[] = \"$${branch}\";" >> ${TMPNAME}.lmpgitversion ; \
+	echo "const char LAMMPS_NS::LAMMPS::git_descriptor[] = \"$${describe}\";" >> ${TMPNAME}.lmpgitversion
+	@echo '#endif' >> ${TMPNAME}.lmpgitversion
+	@if [ -f lmpgitversion.h ]; \
+          then test "`diff --brief ${TMPNAME}.lmpgitversion lmpgitversion.h`" != "" && \
+	        mv ${TMPNAME}.lmpgitversion lmpgitversion.h || rm ${TMPNAME}.lmpgitversion ; \
+        else mv ${TMPNAME}.lmpgitversion lmpgitversion.h ; fi
+
 # Build LAMMPS in one of 4 modes
 # exe =   exe with static compile in Obj_machine (default)
 # shexe = exe with shared compile in Obj_shared_machine
@@ -179,8 +203,10 @@ lmpinstalledpkgs.h: $(SRC) $(INC)
 	@test -f MAKE/Makefile.$@ -o -f MAKE/OPTIONS/Makefile.$@ -o \
 	  -f MAKE/MACHINES/Makefile.$@ -o -f MAKE/MINE/Makefile.$@
 	@if [ ! -d $(objdir) ]; then mkdir $(objdir); fi
+	@echo 'Gathering installed package information (may take a little while)'
 	@$(SHELL) Make.sh style
-	@$(MAKE) $(MFLAGS) lmpinstalledpkgs.h
+	@$(SHELL) Make.sh packages
+	@$(MAKE) $(MFLAGS) lmpinstalledpkgs.h gitversion
 	@echo 'Compiling LAMMPS for machine $@'
 	@if [ -f MAKE/MACHINES/Makefile.$@ ]; \
 	  then cp MAKE/MACHINES/Makefile.$@ $(objdir)/Makefile; fi
@@ -250,7 +276,8 @@ mpi-stubs:
 
 sinclude ../lib/python/Makefile.lammps
 install-python:
-	@$(PYTHON) ../python/install.py
+	@$(PYTHON) ../python/install.py -v ../src/version.h \
+		-m ../python/lammps.py -l ../src/liblammps.so
 
 # Create a tarball of src dir and packages
 
diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp
index 5345d7f8d6c40c41f56f1cc0b8df81a997a6c18e..fc2b6731ee8d455a4ffd2c71d22cd7bc8c06b87c 100644
--- a/src/OPT/pair_eam_opt.cpp
+++ b/src/OPT/pair_eam_opt.cpp
@@ -38,8 +38,7 @@ PairEAMOpt::PairEAMOpt(LAMMPS *lmp) : PairEAM(lmp) {}
 
 void PairEAMOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.cpp b/src/OPT/pair_lj_charmm_coul_long_opt.cpp
index 43f4ba7f5a9ae9fa29ae1d7c9c20220160cf96d1..d80d3d1ec4462b8cb38ca81635c6d9cb1e214872 100644
--- a/src/OPT/pair_lj_charmm_coul_long_opt.cpp
+++ b/src/OPT/pair_lj_charmm_coul_long_opt.cpp
@@ -44,8 +44,7 @@ PairLJCharmmCoulLongOpt::PairLJCharmmCoulLongOpt(LAMMPS *lmp) :
 
 void PairLJCharmmCoulLongOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/OPT/pair_lj_cut_coul_long_opt.cpp b/src/OPT/pair_lj_cut_coul_long_opt.cpp
index 98683a67a4ccbfc537393c2aa55dcb758f1b0ee6..a25010cf1f740e2bce9d4737eee124f1af93f078 100644
--- a/src/OPT/pair_lj_cut_coul_long_opt.cpp
+++ b/src/OPT/pair_lj_cut_coul_long_opt.cpp
@@ -38,8 +38,7 @@ PairLJCutCoulLongOpt::PairLJCutCoulLongOpt(LAMMPS *lmp) : PairLJCutCoulLong(lmp)
 
 void PairLJCutCoulLongOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (!ncoultablebits) {
     if (evflag) {
diff --git a/src/OPT/pair_lj_cut_opt.cpp b/src/OPT/pair_lj_cut_opt.cpp
index ed35178c1f9e60d6fd40cada3e5452f2b318a224..c6684461bed36061526cfa3d446b5ee0778a77ba 100644
--- a/src/OPT/pair_lj_cut_opt.cpp
+++ b/src/OPT/pair_lj_cut_opt.cpp
@@ -34,8 +34,7 @@ PairLJCutOpt::PairLJCutOpt(LAMMPS *lmp) : PairLJCut(lmp) {}
 
 void PairLJCutOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp
index 4842cc4fc00ea6725c5f683e010b1e58f55c5b21..92facca43ea308b00af24da966b598fea9ccc264 100644
--- a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp
+++ b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp
@@ -53,8 +53,7 @@ PairLJCutTIP4PLongOpt::PairLJCutTIP4PLongOpt(LAMMPS *lmp) :
 
 void PairLJCutTIP4PLongOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/OPT/pair_lj_long_coul_long_opt.cpp b/src/OPT/pair_lj_long_coul_long_opt.cpp
index 6bd1e8cb9682411d4b3e2b7034beace732b95c2b..243b64391fe74cfd543222a24db9bf4574237dff 100644
--- a/src/OPT/pair_lj_long_coul_long_opt.cpp
+++ b/src/OPT/pair_lj_long_coul_long_opt.cpp
@@ -44,8 +44,7 @@ PairLJLongCoulLongOpt::PairLJLongCoulLongOpt(LAMMPS *lmp) : PairLJLongCoulLong(l
 void PairLJLongCoulLongOpt::compute(int eflag, int vflag)
 {
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
   int order1 = ewald_order&(1<<1), order6 = ewald_order&(1<<6);
 
   if (order6) {
@@ -290,8 +289,7 @@ void PairLJLongCoulLongOpt::compute(int eflag, int vflag)
 void PairLJLongCoulLongOpt::compute_outer(int eflag, int vflag)
 {
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
   int order1 = ewald_order&(1<<1), order6 = ewald_order&(1<<6);
 
   if (order6) {
diff --git a/src/OPT/pair_morse_opt.cpp b/src/OPT/pair_morse_opt.cpp
index 6299136f46af21f358079429b8ed3981d4562589..c9c6bba3554bb2b3c24cd6a8f771e23f8307857c 100644
--- a/src/OPT/pair_morse_opt.cpp
+++ b/src/OPT/pair_morse_opt.cpp
@@ -35,8 +35,7 @@ PairMorseOpt::PairMorseOpt(LAMMPS *lmp) : PairMorse(lmp) {}
 
 void PairMorseOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/OPT/pair_ufm_opt.cpp b/src/OPT/pair_ufm_opt.cpp
index 85c76d624d7eaad82a27d319134642a0aee6724e..f463dac3f1ebeccfef23b0adda63e212bcaaacf6 100644
--- a/src/OPT/pair_ufm_opt.cpp
+++ b/src/OPT/pair_ufm_opt.cpp
@@ -34,8 +34,7 @@ PairUFMOpt::PairUFMOpt(LAMMPS *lmp) : PairUFM(lmp) {}
 
 void PairUFMOpt::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp
index 76267426c64f6627b723d8268693f65267e60cbb..c00495ba4df51d02103f55291aceaaf8e9a1897b 100644
--- a/src/PERI/pair_peri_eps.cpp
+++ b/src/PERI/pair_peri_eps.cpp
@@ -96,8 +96,7 @@ void PairPeriEPS::compute(int eflag, int vflag)
   double d_ij,delta,stretch;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **f = atom->f;
   double **x = atom->x;
diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp
index 383b91c6f554e62ae1e8c00497bcc69350f29830..f0418c8c8d06aee51881e76f3d02c6d8036052fd 100644
--- a/src/PERI/pair_peri_lps.cpp
+++ b/src/PERI/pair_peri_lps.cpp
@@ -93,8 +93,7 @@ void PairPeriLPS::compute(int eflag, int vflag)
   double d_ij,delta,stretch;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **f = atom->f;
   double **x = atom->x;
diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp
index 772e47f2d64b60839af00f6d5a98f9e104bdf958..ad2f3fb7c7d17b5e3f94ff94ee071e578c50c9d1 100644
--- a/src/PERI/pair_peri_pmb.cpp
+++ b/src/PERI/pair_peri_pmb.cpp
@@ -84,8 +84,7 @@ void PairPeriPMB::compute(int eflag, int vflag)
   double d_ij,delta,stretch;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **f = atom->f;
   double **x = atom->x;
diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp
index 7590077f0e3f55c89057f70b746cbcec989838dc..24a9f92a974e1753e17e88e922a5dc147f9dd315 100644
--- a/src/PERI/pair_peri_ves.cpp
+++ b/src/PERI/pair_peri_ves.cpp
@@ -98,8 +98,7 @@ void PairPeriVES::compute(int eflag, int vflag)
   double d_ij,delta,stretch;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   double **f = atom->f;
   double **x = atom->x;
diff --git a/src/PYTHON/Install.sh b/src/PYTHON/Install.sh
index 9d2783ba0ce88458160ba8fc456a954dce720725..8c394d43ad08fc632b6dbc7122eda2ec9d864a4f 100755
--- a/src/PYTHON/Install.sh
+++ b/src/PYTHON/Install.sh
@@ -28,7 +28,7 @@ action () {
 
 # force rebuild of files using python header
 
-touch ../python.h
+touch ../lmppython.h
 
 # all package files with no dependencies
 
diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp
index 4899e5e2ef5bab6a2ab0a8c35762f8fa69674393..2148fc67b823b9361c219128e34421bcde1ee90e 100644
--- a/src/PYTHON/pair_python.cpp
+++ b/src/PYTHON/pair_python.cpp
@@ -82,8 +82,7 @@ void PairPython::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/Purge.list b/src/Purge.list
index 32b42f5ef1634a3b002850c7d4b690add88ca862..634c38c58da16cdce5d627964860dda62ad0396f 100644
--- a/src/Purge.list
+++ b/src/Purge.list
@@ -22,8 +22,36 @@ style_nbin.h
 style_npair.h
 style_nstencil.h
 style_ntopo.h
+# auto-generated packages files
+packages_angle.h
+packages_atom.h
+packages_body.h
+packages_bond.h
+packages_command.h
+packages_compute.h
+packages_dihedral.h
+packages_dump.h
+packages_fix.h
+packages_improper.h
+packages_integrate.h
+packages_kspace.h
+packages_minimize.h
+packages_pair.h
+packages_reader.h
+packages_region.h
+packages_neigh_bin.h
+packages_neigh_pair.h
+packages_neigh_stencil.h
+packages_nbin.h
+packages_npair.h
+packages_nstencil.h
+packages_ntopo.h
 # other auto-generated files
 lmpinstalledpkgs.h
+lmpgitversion.h
+# removed on 15 March 2019
+fix_wall_gran_omp.h
+fix_wall_gran_omp.cpp
 # renamed on 7 January 2019
 pair_lebedeva.cpp
 pair_lebedeva.h
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index d235b06dc02f30e6f6c9dafeb137d714872feb31..0c76b29911cfa8b2c23fcbe9d8f63c417f0afab6 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -32,12 +32,12 @@
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
-#define DELTA 16384
+#define DELTABOND 16384
 #define VECLEN 5
 
-// NOTE: count/output # of timesteps on which bias is non-zero
-// NOTE: should there be a virial contribution from boosted bond?
-// NOTE: allow newton off?  see Note in pre_reverse()
+// possible enhancements
+//   should there be a virial contribution from boosted bond?
+//   allow newton off?
 
 /* ---------------------------------------------------------------------- */
 
@@ -52,7 +52,7 @@ FixHyperGlobal::FixHyperGlobal(LAMMPS *lmp, int narg, char **arg) :
   hyperflag = 1;
   scalar_flag = 1;
   vector_flag = 1;
-  size_vector = 11;
+  size_vector = 12;
   global_freq = 1;
   extscalar = 0;
   extvector = 0;
@@ -76,6 +76,7 @@ FixHyperGlobal::FixHyperGlobal(LAMMPS *lmp, int narg, char **arg) :
   maxold = 0;
   xold = NULL;
   tagold = NULL;
+  old2now = NULL;
 
   me = comm->me;
   firstflag = 1;
@@ -94,6 +95,7 @@ FixHyperGlobal::~FixHyperGlobal()
   memory->sfree(blist);
   memory->destroy(xold);
   memory->destroy(tagold);
+  memory->destroy(old2now);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -102,7 +104,6 @@ int FixHyperGlobal::setmask()
 {
   int mask = 0;
   mask |= PRE_NEIGHBOR;
-  mask |= PRE_FORCE;
   mask |= PRE_REVERSE;
   mask |= THERMO_ENERGY;
   return mask;
@@ -115,6 +116,7 @@ void FixHyperGlobal::init_hyper()
   maxdriftsq = 0.0;
   maxbondlen = 0.0;
   nobias = 0;
+  negstrain = 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -124,6 +126,10 @@ void FixHyperGlobal::init()
   if (force->newton_pair == 0)
     error->all(FLERR,"Hyper global requires newton pair on");
 
+  if (atom->molecular && me == 0)
+    error->warning(FLERR,"Hyper global for molecular systems "
+                   "requires care in defining hyperdynamic bonds");
+
   dt = update->dt;
 
   // need an occasional half neighbor list
@@ -152,14 +158,16 @@ void FixHyperGlobal::setup_pre_neighbor()
 
 void FixHyperGlobal::setup_pre_reverse(int eflag, int vflag)
 {
-  // no increment in nobias or hyper time when pre-run forces are calculated
+  // no increment in these quantities when pre-run forces are calculated
 
   int nobias_hold = nobias;
+  int negstrain_hold = negstrain;
   double t_hyper_hold = t_hyper;
 
   pre_reverse(eflag,vflag);
 
   nobias = nobias_hold;
+  negstrain = negstrain_hold;
   t_hyper = t_hyper_hold;
 }
 
@@ -167,35 +175,50 @@ void FixHyperGlobal::setup_pre_reverse(int eflag, int vflag)
 
 void FixHyperGlobal::pre_neighbor()
 {
-  int m,iold,jold,ilocal,jlocal;
-  double distsq;
+  int i,m,iold,jold,ilocal,jlocal;
+  // double distsq;
 
-  // reset local IDs for owned bond atoms, since atoms have migrated
-  // uses xold and tagold from when bonds were created
+  // reset local indices for owned bond atoms, since atoms have migrated
   // must be done after ghost atoms are setup via comm->borders()
+  // first time this is done for a particular I or J atom:
+  //   use tagold and xold from when bonds were created
+  //   atom->map() finds atom ID if it exists, owned index if possible
+  //   closest current I or J atoms to old I may now be ghost atoms
+  //   closest_image() returns the ghost atom index in that case
+  // also compute max drift of any atom in a bond
+  //   drift = displacement from quenched coord while event has not yet occured
+  // NOTE: drift calc is now done in bond_build(), between 2 quenched states
 
-  double **x = atom->x;
-
-  int flag = 0;
+  for (i = 0; i < nall_old; i++) old2now[i] = -1;
 
   for (m = 0; m < nblocal; m++) {
     iold = blist[m].iold;
     jold = blist[m].jold;
-    ilocal = atom->map(tagold[iold]);
-    jlocal = atom->map(tagold[jold]);
-    ilocal = domain->closest_image(xold[iold],ilocal);
-    jlocal = domain->closest_image(xold[iold],jlocal);
+    ilocal = old2now[iold];
+    jlocal = old2now[jold];
+
+    if (ilocal < 0) {
+      ilocal = atom->map(tagold[iold]);
+      ilocal = domain->closest_image(xold[iold],ilocal);
+      if (ilocal < 0)
+        error->one(FLERR,"Fix hyper/global bond atom not found");
+      old2now[iold] = ilocal;
+      //distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
+      //maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+    if (jlocal < 0) {
+      jlocal = atom->map(tagold[jold]);
+      jlocal = domain->closest_image(xold[iold],jlocal);   // closest to iold
+      if (jlocal < 0)
+        error->one(FLERR,"Fix hyper/global bond atom not found");
+      old2now[jold] = jlocal;
+      //distsq = MathExtra::distsq3(x[jlocal],xold[jold]);
+      //maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+
     blist[m].i = ilocal;
     blist[m].j = jlocal;
-
-    if (ilocal < 0 || jlocal < 0) flag++;
-    else {
-      distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
-      maxdriftsq = MAX(distsq,maxdriftsq);
-    }
   }
-
-  if (flag) error->one(FLERR,"Fix hyper/global bond atom not found");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -204,15 +227,16 @@ void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
 {
   int i,j,m,imax,jmax;
   double delx,dely,delz;
-  double r,r0,estrain,rmax,r0max,emax,dt_boost;
-  double vbias,fbias,fbiasr;
+  double r,r0,estrain,rmax,r0max,dt_boost;
+  double ebias,vbias,fbias,fbiasr;
 
   // compute current strain of each owned bond
-  // emax = maximum strain of any bond I own
+  // emax = maximum abs value of strain of any bond I own
   // imax,jmax = local indices of my 2 atoms in that bond
+  // rmax,r0max = current and relaxed lengths of that bond
 
   double **x = atom->x;
-  emax = 0.0;
+  double emax = 0.0;
 
   for (m = 0; m < nblocal; m++) {
     i = blist[m].i;
@@ -255,9 +279,15 @@ void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
     return;
   }
 
-  // I own the bond with max strain
-  // compute Vbias and apply force to atoms imax,jmax
-  // NOTE: logic would need to be different for newton off
+  // I own the bond with max absolute value of strain
+  // compute bias force on atoms imax,jmax if strain < q, else zero
+  // Ebias = current strain = (r-r0) / r0
+  // Vbias = bias potential = Vmax (1 - Ebias^2/q^2)
+  // Fbias = bias force as function of strain
+  //       = -dVbias/dEbias = 2 Vmax Ebias / q^2
+  // Fix = x component of force on atom I
+  //     = Fbias dEbias/dr dr/dxi, dEbias/dr = 1/r0, dr/dxi = delx/r
+  // dt_boost = time boost factor = exp(Vbias/kT)
 
   double **f = atom->f;
 
@@ -265,15 +295,16 @@ void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
   dt_boost = 1.0;
 
   if (emax < qfactor) {
-    vbias = vmax * (1.0 - emax*emax*invqfactorsq);
-    fbias = 2.0 * vmax * emax / (qfactor*qfactor * r0max);
+    ebias = (rmax-r0max) / r0max;
+    vbias = vmax * (1.0 - ebias*ebias*invqfactorsq);
+    fbias = 2.0 * vmax * ebias * invqfactorsq;
     dt_boost = exp(beta*vbias);
 
     delx = x[imax][0] - x[jmax][0];
     dely = x[imax][1] - x[jmax][1];
     delz = x[imax][2] - x[jmax][2];
 
-    fbiasr = fbias / rmax;
+    fbiasr = fbias / r0max / rmax;
     f[imax][0] += delx*fbiasr;
     f[imax][1] += dely*fbiasr;
     f[imax][2] += delz*fbiasr;
@@ -281,6 +312,9 @@ void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
     f[jmax][0] -= delx*fbiasr;
     f[jmax][1] -= dely*fbiasr;
     f[jmax][2] -= delz*fbiasr;
+
+    if (ebias < 0.0) negstrain++;
+
   } else nobias++;
 
   // output quantities
@@ -299,8 +333,8 @@ void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
 
 void FixHyperGlobal::build_bond_list(int natom)
 {
-  int i,j,ii,jj,inum,jnum;
-  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
+  int i,j,m,ii,jj,iold,jold,ilocal,jlocal,inum,jnum;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq,distsq;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   if (natom) {
@@ -308,6 +342,27 @@ void FixHyperGlobal::build_bond_list(int natom)
     nevent_atom += natom;
   }
 
+  // compute max distance any bond atom has moved between 2 quenched states
+  // xold[iold] = last quenched coord for iold
+  // x[ilocal] = current quenched coord for same atom
+
+  double **x = atom->x;
+  int nlocal = atom->nlocal;
+  int nall = nlocal + atom->nghost;
+
+  for (m = 0; m < nblocal; m++) {
+    iold = blist[m].iold;
+    ilocal = atom->map(tagold[iold]);
+    ilocal = domain->closest_image(xold[iold],ilocal);
+    distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
+    maxdriftsq = MAX(distsq,maxdriftsq);
+    jold = blist[m].jold;
+    jlocal = atom->map(tagold[jold]);
+    jlocal = domain->closest_image(xold[iold],jlocal);
+    distsq = MathExtra::distsq3(x[jlocal],xold[jold]);
+    maxdriftsq = MAX(distsq,maxdriftsq);
+  }
+
   // trigger neighbor list build
 
   neighbor->build_one(list);
@@ -315,7 +370,6 @@ void FixHyperGlobal::build_bond_list(int natom)
   // identify bonds assigned to each owned atom
   // do not create a bond between two non-group atoms
 
-  double **x = atom->x;
   int *mask = atom->mask;
 
   inum = list->inum;
@@ -358,26 +412,26 @@ void FixHyperGlobal::build_bond_list(int natom)
     }
   }
 
-  // store IDs and coords for owned+ghost atoms at time of bond creation
-  // realloc xold and tagold as needed
+  // store per-atom quantities for owned+ghost atoms at time of bond creation
+  // nall_old = value of nall at time bonds are built
 
-  if (atom->nmax > maxold) {
+  tagint *tag = atom->tag;
+
+  if (nall > maxold) {
     memory->destroy(xold);
     memory->destroy(tagold);
+    memory->destroy(old2now);
     maxold = atom->nmax;
     memory->create(xold,maxold,3,"hyper/global:xold");
     memory->create(tagold,maxold,"hyper/global:tagold");
+    memory->create(old2now,maxold,"hyper/global:old2now");
   }
 
-  tagint *tag = atom->tag;
-  int nall = atom->nlocal + atom->nghost;
+  memcpy(&xold[0][0],&x[0][0],3*nall*sizeof(double));
+  for (i = 0; i < nall; i++) tagold[i] = tag[i];
 
-  for (i = 0; i < nall; i++) {
-    xold[i][0] = x[i][0];
-    xold[i][1] = x[i][1];
-    xold[i][2] = x[i][2];
-    tagold[i] = tag[i];
-  }
+  nlocal_old = nlocal;
+  nall_old = nall;
 }
 
 /* ----------------------------------------------------------------------
@@ -386,14 +440,11 @@ void FixHyperGlobal::build_bond_list(int natom)
 
 void FixHyperGlobal::grow_bond()
 {
-  // NOTE: could add int arg to do initial large alloc:
-  // maxbond = maxbond/DELTA * DELTA; maxbond += DELTA;
-
-  maxbond += DELTA;
-  if (maxbond < 0 || maxbond > MAXSMALLINT)
-    error->one(FLERR,"Fix hyper/local per-processor bond count is too big");
+  if (maxbond + DELTABOND > MAXSMALLINT)
+    error->one(FLERR,"Fix hyper/global bond count is too big");
+  maxbond += DELTABOND;
   blist = (OneBond *)
-    memory->srealloc(blist,maxbond*sizeof(OneBond),"hyper/local:blist");
+    memory->srealloc(blist,maxbond*sizeof(OneBond),"hyper/global:blist");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -416,21 +467,22 @@ double FixHyperGlobal::compute_vector(int i)
     bcastflag = 0;
   }
 
-  // 11 vector outputs returned for i = 0-10
+  // 12 vector outputs returned for i = 0-11
 
   // i = 0 = boost factor on this step
-  // i = 1 = max strain of any bond on this step
+  // i = 1 = max strain of any bond on this step (positive or negative)
   // i = 2 = ID of atom I in max-strain bond on this step
   // i = 3 = ID of atom J in max-strain bond on this step
   // i = 4 = ave bonds/atom on this step
 
-  // i = 5 = fraction of steps with no bias during this run
-  // i = 6 = max drift of any atom during this run
-  // i = 7 = max bond length during this run
+  // i = 5 = fraction of steps where bond has no bias during this run
+  // i = 6 = fraction of steps where bond has negative strain during this run
+  // i = 7 = max drift distance of any atom during this run
+  // i = 8 = max bond length during this run
 
-  // i = 8 = cummulative hyper time since fix created
-  // i = 9 = cummulative # of event timesteps since fix created
-  // i = 10 = cummulative # of atoms in events since fix created
+  // i = 9 = cummulative hyper time since fix created
+  // i = 10 = cummulative # of event timesteps since fix created
+  // i = 11 = cummulative # of atoms in events since fix created
 
   if (i == 0) return outvec[1];
   if (i == 1) return outvec[2];
@@ -438,8 +490,9 @@ double FixHyperGlobal::compute_vector(int i)
   if (i == 3) return outvec[4];
 
   if (i == 4) {
-    int allbonds;     // NOTE: bigint?
-    MPI_Allreduce(&nblocal,&allbonds,1,MPI_INT,MPI_SUM,world);
+    bigint mybonds = nblocal;
+    bigint allbonds;
+    MPI_Allreduce(&mybonds,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
     return 2.0*allbonds/atom->natoms;
   }
 
@@ -451,20 +504,27 @@ double FixHyperGlobal::compute_vector(int i)
   }
 
   if (i == 6) {
+    if (update->ntimestep == update->firststep) return 0.0;
+    int allnegstrain;
+    MPI_Allreduce(&negstrain,&allnegstrain,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allnegstrain / (update->ntimestep - update->firststep);
+  }
+
+  if (i == 7) {
     double alldriftsq;
     MPI_Allreduce(&maxdriftsq,&alldriftsq,1,MPI_DOUBLE,MPI_MAX,world);
     return sqrt(alldriftsq);
   }
 
-  if (i == 7) {
+  if (i == 8) {
     double allbondlen;
     MPI_Allreduce(&maxbondlen,&allbondlen,1,MPI_DOUBLE,MPI_MAX,world);
     return allbondlen;
   }
 
-  if (i == 8) return t_hyper;
-  if (i == 9) return (double) nevent;
-  if (i == 10) return (double) nevent_atom;
+  if (i == 9) return t_hyper;
+  if (i == 10) return (double) nevent;
+  if (i == 11) return (double) nevent_atom;
 
   return 0.0;
 }
@@ -476,13 +536,14 @@ double FixHyperGlobal::compute_vector(int i)
 
 double FixHyperGlobal::query(int i)
 {
-  if (i == 1) return compute_vector(8);  // cummulative hyper time
-  if (i == 2) return compute_vector(9);  // nevent
-  if (i == 3) return compute_vector(10); // nevent_atom
+  if (i == 1) return compute_vector(9);  // cummulative hyper time
+  if (i == 2) return compute_vector(10); // nevent
+  if (i == 3) return compute_vector(11); // nevent_atom
   if (i == 4) return compute_vector(4);  // ave bonds/atom
-  if (i == 5) return compute_vector(6);  // maxdrift
-  if (i == 6) return compute_vector(7);  // maxbondlen
+  if (i == 5) return compute_vector(7);  // maxdrift
+  if (i == 6) return compute_vector(8);  // maxbondlen
   if (i == 7) return compute_vector(5);  // fraction with zero bias
+  if (i == 8) return compute_vector(6);  // fraction with negative strain
 
   error->all(FLERR,"Invalid query to fix hyper/global");
 
diff --git a/src/REPLICA/fix_hyper_global.h b/src/REPLICA/fix_hyper_global.h
index d8b1cef425032dcaa4ec8aef38dbaa1925d4ef2e..a62f80b54aa3fc7912ba9db12b8fcca5ef54d47c 100644
--- a/src/REPLICA/fix_hyper_global.h
+++ b/src/REPLICA/fix_hyper_global.h
@@ -56,6 +56,7 @@ class FixHyperGlobal : public FixHyper {
   double maxbondlen;       // max length of any bond
   double maxdriftsq;       // max distance any atom drifts from original pos
   int nobias;              // # of steps when bias = 0, b/c bond too long
+  int negstrain;           // # of steps when biased bond has negative strain
 
   class NeighList *list;
 
@@ -70,16 +71,19 @@ class FixHyperGlobal : public FixHyper {
     double r0;                 // relaxed bond length
   };
 
-  struct OneBond *blist;        // list of owned bonds
-  int nblocal;                  // # of owned bonds
+  OneBond *blist;              // list of owned bonds
+  int nblocal;                 // # of owned bonds
 
   // coords and IDs of owned+ghost atoms when bonds were formed
   // persists on a proc from one event until the next
 
+  int nlocal_old;               // nlocal for old atoms
+  int nall_old;                 // nlocal+nghost for old atoms
   int maxold;                   // allocated size of old atoms
 
   double **xold;                // coords of atoms when bonds were formed
-  tagint *tagold;               // IDs of atoms when bonds were formed
+  tagint *tagold;               // IDs of atoms when bonds were forme
+  int *old2now;                 // o2n[i] = current local index of old atom I
 
   // MPI data struct for finding bond with max strain via Allreduce
 
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 60198f4ddf2f4074935a0b94aaa81dc533a70da4..a6db4419f02d2cd974745360e3c1c2b61eb7d5b4 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+ /* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -33,33 +33,28 @@
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
-#define DELTABOOST 16
-#define BOOSTINIT 1.0
-#define COEFFMAX 1.2
+#define DELTABOND 16384
+#define DELTABIAS 16
+#define COEFFINIT 1.0
+#define FCCBONDS 12
 #define BIG 1.0e20
 
-enum{STRAIN,STRAINREGION,BIASFLAG};
+enum{STRAIN,STRAINDOMAIN,BIASFLAG,BIASCOEFF};
 enum{IGNORE,WARN,ERROR};
 
 /* ---------------------------------------------------------------------- */
 
 FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
-  FixHyper(lmp, narg, arg), old2now(NULL), xold(NULL), tagold(NULL),
-  bonds(NULL), numbond(NULL), maxstrain(NULL), maxstrain_region(NULL),
-  maxstrain_bondindex(NULL), biasflag(NULL), boost(NULL),
-  histo(NULL), allhisto(NULL)
+  FixHyper(lmp, narg, arg), blist(NULL), biascoeff(NULL), numbond(NULL),
+  maxhalf(NULL), eligible(NULL), maxhalfstrain(NULL), old2now(NULL),
+  tagold(NULL), xold(NULL), maxstrain(NULL), maxstrain_domain(NULL),
+  biasflag(NULL), bias(NULL), cpage(NULL), clist(NULL), numcoeff(NULL)
 {
   // error checks
-  // solution for tagint != int is to worry about storing
-  //   local index vs global ID in same variable
-  //   maybe need to declare them all tagint, not int
 
   if (atom->map_style == 0)
     error->all(FLERR,"Fix hyper/local command requires atom map");
 
-  if (sizeof(tagint) != sizeof(int))
-     error->all(FLERR,"Fix hyper/local requires tagint = int");
-
   // parse args
 
   if (narg < 10) error->all(FLERR,"Illegal fix hyper/local command");
@@ -67,7 +62,11 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
   hyperflag = 2;
   scalar_flag = 1;
   vector_flag = 1;
-  size_vector = 23;
+  size_vector = 21;
+  local_flag = 1;
+  size_local_rows = 0;
+  size_local_cols = 0;
+  local_freq = 1;
 
   global_freq = 1;
   extscalar = 0;
@@ -79,10 +78,10 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
   tequil = force->numeric(FLERR,arg[6]);
   dcut = force->numeric(FLERR,arg[7]);
   alpha_user = force->numeric(FLERR,arg[8]);
-  boosttarget = force->numeric(FLERR,arg[9]);
+  boost_target = force->numeric(FLERR,arg[9]);
 
   if (cutbond < 0.0 || qfactor < 0.0 || vmax < 0.0 ||
-      tequil <= 0.0 || dcut <= 0.0 || alpha_user <= 0.0 || boosttarget < 1.0)
+      tequil <= 0.0 || dcut <= 0.0 || alpha_user <= 0.0 || boost_target < 1.0)
     error->all(FLERR,"Illegal fix hyper/local command");
 
   invqfactorsq = 1.0 / (qfactor*qfactor);
@@ -92,35 +91,14 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
 
   // optional args
 
-  histoflag = 0;
-  lostbond = IGNORE;
+  checkghost = 0;
   checkbias = 0;
-  checkcoeff = 0;
 
   int iarg = 10;
   while (iarg < narg) {
-    /*  NOTE: do not enable this yet, need to think about it differently
-    if (strcmp(arg[iarg],"histo") == 0) {
-      if (iarg+5 > narg) error->all(FLERR,"Illegal fix hyper/local command");
-      histoflag = 1;
-      histo_every = force->inumeric(FLERR,arg[iarg+1]);
-      histo_count = force->inumeric(FLERR,arg[iarg+2]);
-      histo_delta = force->numeric(FLERR,arg[iarg+3]);
-      histo_print = force->inumeric(FLERR,arg[iarg+4]);
-      if (histo_every <= 0 || histo_count % 2 ||
-          histo_delta <= 0.0 || histo_print <= 0)
-        error->all(FLERR,"Illegal fix hyper/local command");
-      iarg += 5;
-    */
-
-    if (strcmp(arg[iarg],"lostbond") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix hyper/local command");
-      if (strcmp(arg[iarg+1],"error") == 0) lostbond = ERROR;
-      else if (strcmp(arg[iarg+1],"warn") == 0) lostbond = WARN;
-      else if (strcmp(arg[iarg+1],"ignore") == 0) lostbond = IGNORE;
-      else error->all(FLERR,"Illegal fix hyper/local command");
-      iarg += 2;
-
+    if (strcmp(arg[iarg],"check/ghost") == 0) {
+      checkghost = 1;
+      iarg++;
     } else if (strcmp(arg[iarg],"check/bias") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix hyper/local command");
       checkbias = 1;
@@ -130,57 +108,59 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
       else if (strcmp(arg[iarg+2],"ignore") == 0) checkbias_flag = IGNORE;
       else error->all(FLERR,"Illegal fix hyper/local command");
       iarg += 3;
-
-    } else if (strcmp(arg[iarg],"check/coeff") == 0) {
-      if (iarg+3 > narg) error->all(FLERR,"Illegal fix hyper/local command");
-      checkcoeff = 1;
-      checkcoeff_every = force->inumeric(FLERR,arg[iarg+1]);
-      if (strcmp(arg[iarg+2],"error") == 0) checkcoeff_flag = ERROR;
-      else if (strcmp(arg[iarg+2],"warn") == 0) checkcoeff_flag = WARN;
-      else if (strcmp(arg[iarg+2],"ignore") == 0) checkcoeff_flag = IGNORE;
-      else error->all(FLERR,"Illegal fix hyper/local command");
-      iarg += 3;
-
     } else error->all(FLERR,"Illegal fix hyper/local command");
   }
 
   // per-atom data structs
 
-  maxbond = 0;
-  bonds = NULL;
-  numbond = NULL;
+  maxbond = nblocal = 0;
+  blist = NULL;
+  biascoeff = NULL;
+  allbonds = 0;
+
+  maxatom = 0;
   maxstrain = NULL;
-  maxstrain_region = NULL;
-  maxstrain_bondindex = NULL;
+  maxstrain_domain = NULL;
   biasflag = NULL;
 
-  maxold = old_nall = 0;
-  old2now = NULL;
-  xold = NULL;      // NOTE: don't really need except to monitor drift
+  maxlocal = nlocal_old = 0;
+  numbond = NULL;
+  maxhalf = NULL;
+  eligible = NULL;
+  maxhalfstrain = NULL;
+
+  maxall = nall_old = 0;
+  xold = NULL;
   tagold = NULL;
+  old2now = NULL;
 
-  nboost = maxboost = 0;
-  boost = NULL;
+  nbias = maxbias = 0;
+  bias = NULL;
 
+  // data structs for persisting bias coeffs when bond list is reformed
   // maxbondperatom = max # of bonds any atom is part of
-  // will be reset in bond_build()
-  // set comm size needed by this fix
+  // FCCBONDS = 12 is a good estimate for fcc lattices
+  // will be reset in build_bond() if necessary
 
-  maxbondperatom = 1;
-  comm_forward = 1;
-  comm_reverse = 1;
+  maxcoeff = 0;
+  maxbondperatom = FCCBONDS;
+  numcoeff = NULL;
+  clist = NULL;
+  cpage = new MyPage<OneCoeff>;
+  cpage->init(maxbondperatom,1024*maxbondperatom,1);
 
-  // perform initial allocation of atom-based arrays
-  // register with Atom class
+  // set comm sizes needed by this fix
+  // reverse = 2 is for sending atom index + value, though total likely < 1
+  // reverse comm for bias coeffs has variable size, so not tallied here
 
-  grow_arrays(atom->nmax);
-  atom->add_callback(0);
+  comm_forward = 1;
+  comm_reverse = 2;
 
   me = comm->me;
   firstflag = 1;
 
-  allbonds = 0;
-  allboost = 0.0;
+  sumbiascoeff = 0.0;
+  avebiascoeff = 0.0;
 
   starttime = update->ntimestep;
   nostrainyet = 1;
@@ -188,36 +168,33 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
   nevent = 0;
   nevent_atom = 0;
   mybias = 0.0;
-
-  histo = allhisto = NULL;
-  if (histoflag) {
-    invhisto_delta = 1.0 / histo_delta;
-    histo_lo = 1.0 - (histo_count/2 * histo_delta);
-    histo = new bigint[histo_count+2];
-    allhisto = new bigint[histo_count+2];
-  }
 }
 
 /* ---------------------------------------------------------------------- */
 
 FixHyperLocal::~FixHyperLocal()
 {
-  memory->destroy(bonds);
-  memory->destroy(numbond);
-
-  atom->delete_callback(id,0);
+  memory->destroy(blist);
+  memory->destroy(biascoeff);
 
   memory->destroy(maxstrain);
-  memory->destroy(maxstrain_region);
-  memory->destroy(maxstrain_bondindex);
+  memory->destroy(maxstrain_domain);
   memory->destroy(biasflag);
 
-  memory->destroy(old2now);
+  memory->destroy(numbond);
+  memory->destroy(maxhalf);
+  memory->destroy(eligible);
+  memory->destroy(maxhalfstrain);
+
   memory->destroy(xold);
   memory->destroy(tagold);
-  memory->destroy(boost);
-  delete [] histo;
-  delete [] allhisto;
+  memory->destroy(old2now);
+
+  memory->destroy(bias);
+
+  memory->destroy(numcoeff);
+  memory->sfree(clist);
+  delete cpage;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -237,24 +214,20 @@ int FixHyperLocal::setmask()
 void FixHyperLocal::init_hyper()
 {
   ghost_toofar = 0;
-  lostbond_partner = 0;
-  lostbond_coeff = 0.0;
   checkbias_count = 0;
-  checkcoeff_count = 0;
   maxdriftsq = 0.0;
   maxbondlen = 0.0;
-  maxboostcoeff = 0.0;
-  minboostcoeff = BIG;
-  sumboostcoeff = 0.0;
-  nboost_running = 0;
+  avebiascoeff = 0.0;
+  minbiascoeff = BIG;
+  maxbiascoeff = 0.0;
+  nbias_running = 0;
   nobias_running = 0;
+  negstrain_running = 0;
   rmaxever = 0.0;
   rmaxeverbig = 0.0;
 
   nbondbuild = 0;
   time_bondbuild = 0.0;
-
-  if (histoflag) histo_steps = 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -262,7 +235,7 @@ void FixHyperLocal::init_hyper()
 void FixHyperLocal::init()
 {
   // for newton off, bond force bias will not be applied correctly
-  //   bonds that straddle 2 procs
+  //   for bonds that straddle 2 procs
   // warn if molecular system, since near-neighbors may not appear in neigh list
   //   user should not be including bonded atoms as hyper "bonds"
 
@@ -271,7 +244,7 @@ void FixHyperLocal::init()
 
   if (atom->molecular && me == 0)
     error->warning(FLERR,"Hyper local for molecular systems "
-                   "requires care in defining hyperdynamics bonds");
+                   "requires care in defining hyperdynamic bonds");
 
   // cutghost = communication cutoff as calculated by Neighbor and Comm
   // error if cutghost is smaller than Dcut
@@ -285,30 +258,43 @@ void FixHyperLocal::init()
       cutghost = comm->cutghostuser;
 
     if (cutghost < dcut)
-      error->all(FLERR,"Fix hyper/local bond cutoff exceeds ghost atom range - "
+      error->all(FLERR,"Fix hyper/local domain cutoff exceeds ghost atom range - "
                  "use comm_modify cutoff command");
     if (cutghost < dcut+cutbond/2.0 && me == 0)
       error->warning(FLERR,"Fix hyper/local ghost atom range "
                      "may not allow for atom drift between events");
   }
 
-
   alpha = update->dt / alpha_user;
 
-  // need an occasional full neighbor list with cutoff = Dcut
+  // need occasional full neighbor list with cutoff = Dcut
+  // used for finding maxstrain of neighbor bonds out to Dcut
   // do not need to include neigh skin in cutoff,
-  //   b/c this list will be built every time bond_build() is called
+  //   b/c this list will be built every time build_bond() is called
   // NOTE: what if pair style list cutoff > Dcut
   //   or what if neigh skin is huge?
 
-  int irequest = neighbor->request(this,instance_me);
-  neighbor->requests[irequest]->pair = 0;
-  neighbor->requests[irequest]->fix = 1;
-  neighbor->requests[irequest]->half = 0;
-  neighbor->requests[irequest]->full = 1;
-  neighbor->requests[irequest]->cut = 1;
-  neighbor->requests[irequest]->cutoff = dcut;
-  neighbor->requests[irequest]->occasional = 1;
+  int irequest_full = neighbor->request(this,instance_me);
+  neighbor->requests[irequest_full]->id = 1;
+  neighbor->requests[irequest_full]->pair = 0;
+  neighbor->requests[irequest_full]->fix = 1;
+  neighbor->requests[irequest_full]->half = 0;
+  neighbor->requests[irequest_full]->full = 1;
+  neighbor->requests[irequest_full]->cut = 1;
+  neighbor->requests[irequest_full]->cutoff = dcut;
+  neighbor->requests[irequest_full]->occasional = 1;
+
+  // also need occasional half neighbor list derived from pair style
+  // used for building local bond list
+  // no specified cutoff, should be longer than cutbond
+  // this list will also be built (or derived/copied)
+  //   every time build_bond() is called
+
+  int irequest_half = neighbor->request(this,instance_me);
+  neighbor->requests[irequest_half]->id = 2;
+  neighbor->requests[irequest_half]->pair = 0;
+  neighbor->requests[irequest_half]->fix = 1;
+  neighbor->requests[irequest_half]->occasional = 1;
 
   // extra timing output
 
@@ -318,16 +304,17 @@ void FixHyperLocal::init()
 
 /* ---------------------------------------------------------------------- */
 
-void FixHyperLocal::init_list(int /* id */, NeighList *ptr)
+void FixHyperLocal::init_list(int id, NeighList *ptr)
 {
-  list = ptr;
+  if (id == 1) listfull = ptr;
+  else if (id == 2) listhalf = ptr;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void FixHyperLocal::setup_pre_neighbor()
 {
-  // called for dynamics and minimization   NOTE: check if min is needed?
+  // called for dynamics and minimization
 
   pre_neighbor();
 }
@@ -337,8 +324,9 @@ void FixHyperLocal::setup_pre_neighbor()
 void FixHyperLocal::setup_pre_reverse(int eflag, int vflag)
 {
   // only called for dynamics, not minimization
-  // setupflag prevents boostostat update of boost coeffs in setup
-  // also prevents increments of nboost_running, nbias_running, sumboostcoeff
+  // setupflag prevents boostostat update of bias coeffs in setup
+  // also prevents increments of nbias_running, nobias_running,
+  //   negstrain_running, sumbiascoeff
 
   setupflag = 1;
   pre_reverse(eflag,vflag);
@@ -349,67 +337,66 @@ void FixHyperLocal::setup_pre_reverse(int eflag, int vflag)
 
 void FixHyperLocal::pre_neighbor()
 {
-  int i,m,n,ilocal,jlocal;
-
-  // convert global ID bond partners back to local indices
-  // need to use closest_image() so can calculate bond lengths
-  // error flag should not happen for a well-behaved system
-  // b/c are only looking up bond partners inside or near my sub-domain
-
-  double **x = atom->x;
-  int nlocal = atom->nlocal;
-
-  int missing = 0;
-  double missing_coeff = 0.0;
-
-  for (i = 0; i < nlocal; i++) {
-    n = numbond[i];
-    for (m = 0; m < n; m++) {
-      jlocal = atom->map(bonds[i][m].jtag);
-      if (jlocal >= 0) bonds[i][m].j = domain->closest_image(i,jlocal);
-      else {
-        bonds[i][m].j = -1;
-        missing++;
-        missing_coeff += bonds[i][m].boostcoeff;
-        if (lostbond != IGNORE) {
-          char str[128];
-          sprintf(str,"Fix hyper/local bond info missing for bond "
-                  TAGINT_FORMAT "," TAGINT_FORMAT
-                  " with coeff %g at step " BIGINT_FORMAT,
-                  atom->tag[i],bonds[i][m].jtag,bonds[i][m].boostcoeff,
-                  update->ntimestep);
-          if (lostbond == ERROR) error->one(FLERR,str);
-          if (lostbond == WARN) error->warning(FLERR,str);
-        }
-      }
+  int i,m,iold,jold,ilocal,jlocal;
+  // double distsq;
+
+  // reset local indices for owned bond atoms, since atoms have migrated
+  // must be done after ghost atoms are setup via comm->borders()
+  // first time this is done for a particular I or J atom:
+  //   use tagold and xold from when bonds were created
+  //   atom->map() finds atom ID if it exists, owned index if possible
+  //   closest current I or J atoms to old I may now be ghost atoms
+  //   closest_image() returns the ghost atom index in that case
+  // also compute max drift of any atom in a bond
+  //   drift = displacement from quenched coord while event has not yet occured
+  // NOTE: drift calc is now done in bond_build(), between 2 quenched states
+
+  for (i = 0; i < nall_old; i++) old2now[i] = -1;
+
+  for (m = 0; m < nblocal; m++) {
+    iold = blist[m].iold;
+    jold = blist[m].jold;
+    ilocal = old2now[iold];
+    jlocal = old2now[jold];
+
+    if (ilocal < 0) {
+      ilocal = atom->map(tagold[iold]);
+      ilocal = domain->closest_image(xold[iold],ilocal);
+      if (ilocal < 0)
+        error->one(FLERR,"Fix hyper/local bond atom not found");
+      old2now[iold] = ilocal;
+      //distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
+      //maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+    if (jlocal < 0) {
+      jlocal = atom->map(tagold[jold]);
+      jlocal = domain->closest_image(xold[iold],jlocal);   // close to I atom
+      if (jlocal < 0)
+        error->one(FLERR,"Fix hyper/local bond atom not found");
+      old2now[jold] = jlocal;
+      //distsq = MathExtra::distsq3(x[jlocal],xold[jold]);
+      //maxdriftsq = MAX(distsq,maxdriftsq);
     }
-  }
 
-  lostbond_partner += missing;
-  lostbond_coeff += missing_coeff;
+    blist[m].i = ilocal;
+    blist[m].j = jlocal;
+  }
 
-  // set old2now to point to current local atom indices
+  // set remaining old2now values to point to current local atom indices
+  // if old2now >= 0, already set by bond loop above
   // only necessary for tagold entries > 0
   //   because if tagold = 0, atom is not active in Dcut neighbor list
   // must be done after atoms migrate and ghost atoms setup via comm->borders()
-  // does not matter if there are multiple ghost copies of a global ID
-  //   since only need the ghost atom strain, not its coordinates
-  // NOTE: maybe need not use closest image, b/c old2now only used to access
-  //   maxstrain values, which will be same for any copy of ghost atom ??
-  //   also need it to compute maxdriftsq correctly when a proc spans a PBC
-
-  double distsq;
-
-  for (i = 0; i < old_nall; i++) {
-    if (tagold[i] == 0) continue;
-    ilocal = atom->map(tagold[i]);
-    ilocal = domain->closest_image(xold[i],ilocal);
-    old2now[i] = ilocal;
-
-    if (ilocal >= 0) {
-      distsq = MathExtra::distsq3(x[ilocal],xold[i]);
-      maxdriftsq = MAX(distsq,maxdriftsq);
-    } else ghost_toofar++;
+  // does not matter which atom (owned or ghost) that atom->map() finds
+  //   b/c old2now is only used to access maxstrain() or biasflag()
+  //   which will be identical for every copy of the same atom ID
+
+  for (iold = 0; iold < nall_old; iold++) {
+    if (old2now[iold] >= 0) continue;
+    if (tagold[iold] == 0) continue;
+    ilocal = atom->map(tagold[iold]);
+    old2now[iold] = ilocal;
+    if (ilocal < 0) ghost_toofar++;
   }
 }
 
@@ -417,223 +404,262 @@ void FixHyperLocal::pre_neighbor()
 
 void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
 {
-  int i,j,m,ii,jj,inum,jnum,iold,jold,nbond,bondindex;
-  tagint itag,jtag;
-  double xtmp,ytmp,ztmp,delx,dely,delz;
-  double r,r0,estrain,emax,vbias,fbias,fbiasr,boostcoeff;
+  int i,j,m,ii,jj,inum,jnum,iold,jold,ibond,nbond,ijhalf,ncount;
+  double delx,dely,delz;
+  double r,r0,estrain,emax,ebias,vbias,fbias,fbiasr;
+  double halfstrain,selfstrain;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   //double time1,time2,time3,time4,time5,time6,time7,time8;
   //time1 = MPI_Wtime();
 
-  // compute current maxstrain and maxstrain_bond for each owned atom
-  // use per-atom full bond list
-  // this is double-calculating for IJ and JI bonds
-  //   could compute once, but would have to find/store index of JI bond
-  // order two I,J atoms consistently for IJ and JI calcs
-  //   to insure no round-off issue when comparing maxstrain values of I,J
+  nostrainyet = 0;
+
+  // reallocate per-atom maxstrain and biasflag vectors if necessary
 
-  double **x = atom->x;
-  tagint *tag = atom->tag;
   int nlocal = atom->nlocal;
+  int nall = nlocal + atom->nghost;
 
-  int mybonds = 0;
-  nostrainyet = 0;
+  if (maxatom < nall) {
+    memory->destroy(maxstrain);
+    memory->destroy(maxstrain_domain);
+    if (checkbias) memory->destroy(biasflag);
+    maxatom = atom->nmax;
+    memory->create(maxstrain,maxatom,"hyper/local:maxstrain");
+    memory->create(maxstrain_domain,maxatom,"hyper/local:maxstrain_domain");
+    if (checkbias) memory->create(biasflag,maxatom,"hyper/local:biasflag");
+  }
 
-  for (i = 0; i < nlocal; i++) {
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itag = tag[i];
-    emax = 0.0;
-    bondindex = -1;
-    jtag = 0;
-
-    nbond = numbond[i];
-    mybonds += nbond;
-    for (m = 0; m < nbond; m++) {
-      j = bonds[i][m].j;
-      if (j < 0) continue;
-      jtag = bonds[i][m].jtag;
-      r0 = bonds[i][m].r0;
-      if (itag < jtag) {
-        delx = xtmp - x[j][0];
-        dely = ytmp - x[j][1];
-        delz = ztmp - x[j][2];
-      } else {
-        delx = x[j][0] - xtmp;
-        dely = x[j][1] - ytmp;
-        delz = x[j][2] - ztmp;;
-      }
+  // one max strain bond per old owned atom is eligible for biasing
+
+  for (iold = 0; iold < nlocal_old; iold++) eligible[iold] = 1;
+
+  // -------------------------------------------------------------
+  // stage 1:
+  // maxstrain[i] = max abs value of strain of any bond atom I is part of
+  // reverse/forward comm so know it for all current owned and ghost atoms
+  // -------------------------------------------------------------
+
+  // compute estrain = current abs value strain of each owned bond
+  // blist = bondlist from last event
+  // mark atom I ineligible if it has no bonds
+  // also store:
+  //   maxhalf = which owned bond is maxstrain for each old atom I
+  //   maxhalfstrain = abs value strain of that bond for each old atom I
+
+  for (i = 0; i < nall; i++) maxstrain[i] = 0.0;
+
+  double **x = atom->x;
+
+  m = 0;
+  for (iold = 0; iold < nlocal_old; iold++) {
+    nbond = numbond[iold];
+    if (!nbond) {
+      eligible[iold] = 0;
+      continue;
+    }
+    halfstrain = 0.0;
+    for (ibond = 0; ibond < nbond; ibond++) {
+      i = blist[m].i;
+      j = blist[m].j;
+      delx = x[i][0] - x[j][0];
+      dely = x[i][1] - x[j][1];
+      delz = x[i][2] - x[j][2];
       r = sqrt(delx*delx + dely*dely + delz*delz);
       maxbondlen = MAX(r,maxbondlen);
+      r0 = blist[m].r0;
       estrain = fabs(r-r0) / r0;
-      if (estrain > emax) {
-        emax = estrain;
-        bondindex = m;
+      maxstrain[i] = MAX(maxstrain[i],estrain);
+      maxstrain[j] = MAX(maxstrain[j],estrain);
+      if (estrain > halfstrain) {
+        halfstrain = estrain;
+        ijhalf = m;
       }
+      m++;
     }
-    maxstrain[i] = emax;
-    maxstrain_bondindex[i] = bondindex;
+    maxhalf[iold] = ijhalf;
+    maxhalfstrain[iold] = halfstrain;
   }
 
   //time2 = MPI_Wtime();
 
-  // forward comm to acquire maxstrain of all ghost atoms
+  // reverse comm acquires maxstrain of all current owned atoms
+  //   needed b/c only saw half the bonds of each atom
+  //   also needed b/c bond list may refer to old owned atoms that are now ghost
+  // forward comm acquires maxstrain of all current ghost atoms
 
   commflag = STRAIN;
+  comm->reverse_comm_fix(this);
   comm->forward_comm_fix(this);
 
   //time3 = MPI_Wtime();
 
-  // use original Dcut neighbor list to check maxstrain of all neighbor atoms
-  // set maxstrain_region of I atoms = maxstrain of I and all J neighs
-  // neighbor list has old indices for IJ b/c reneighboring may have occurred
-  //   use old2now[] to convert to current indices
-  // if neighbor is not currently known (too far away),
-  //   then assume it was part of an event and its strain = qfactor
-  // this double loop sets maxstrain_region of mostly owned atoms
-  //   but possibly some ghost atoms as well
+  // -------------------------------------------------------------
+  // stage 2:
+  // maxstrain_domain[i] = maxstrain of atom I and all its J neighs out to Dcut
+  // reverse/forward comm so know it for all current owned and ghost atoms
+  // -------------------------------------------------------------
 
-  int nall = nlocal + atom->nghost;
-  for (i = 0; i < nall; i++) maxstrain_region[i] = 0.0;
+  // use full Dcut neighbor list to check maxstrain of all neighbor atoms
+  // neighlist is from last event
+  //   has old indices for I,J (reneighboring may have occurred)
+  //   use old2now[] to convert to current indices
+  //   if J is unknown (drifted ghost),
+  //     assume it was part of an event and its strain = qfactor
+  // mark atom I ineligible for biasing if:
+  //   its maxhalfstrain < maxstrain (J atom owns the IJ bond)
+  //   its maxstrain < maxstrain_domain
+  //   ncount > 1 (break tie by making all atoms with tie value ineligible)
+  // if ncount > 1, also flip sign of maxstrain_domain for atom I
 
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
+  for (i = 0; i < nall; i++) maxstrain_domain[i] = 0.0;
 
-  // find largest distance from subbox that a ghost atom is with strain < qfactor
+  inum = listfull->inum;
+  ilist = listfull->ilist;
+  numneigh = listfull->numneigh;
+  firstneigh = listfull->firstneigh;
 
   double rmax = rmaxever;
   double rmaxbig = rmaxeverbig;
   double *sublo = domain->sublo;
   double *subhi = domain->subhi;
 
+  // first two lines of outer loop should be identical to this:
+  // for (iold = 0; iold < nlocal_old; iold++)
+
   for (ii = 0; ii < inum; ii++) {
     iold = ilist[ii];
+    if (eligible[iold] == 0) continue;
     jlist = firstneigh[iold];
     jnum = numneigh[iold];
 
-    // I and J may be ghost atoms
+    // I or J may be ghost atoms
     // will always know I b/c atoms do not drift that far
     // but may no longer know J if hops outside cutghost
     // in that case, assume it performed an event, its strain = qfactor
+    // this assumes cutghost is sufficiently longer than Dcut
 
     i = old2now[iold];
-    emax = maxstrain[i];
+    emax = selfstrain = maxstrain[i];
+    ncount = 0;
 
     for (jj = 0; jj < jnum; jj++) {
       jold = jlist[jj];
       j = old2now[jold];
-      if (j >= 0) emax = MAX(emax,maxstrain[j]);
-      else {
+
+      // special case for missing (drifted) J atom
+
+      if (j < 0) {
         emax = MAX(emax,qfactor);
+        if (selfstrain == qfactor) ncount++;
         continue;
       }
 
-      if (j >= nlocal) {
-        if (x[j][0] < sublo[0]) rmaxbig = MAX(rmaxbig,sublo[0]-x[j][0]);
-        if (x[j][1] < sublo[1]) rmaxbig = MAX(rmaxbig,sublo[1]-x[j][1]);
-        if (x[j][2] < sublo[2]) rmaxbig = MAX(rmaxbig,sublo[2]-x[j][2]);
-        if (x[j][0] > subhi[0]) rmaxbig = MAX(rmaxbig,x[j][0]-subhi[0]);
-        if (x[j][1] > subhi[1]) rmaxbig = MAX(rmaxbig,x[j][1]-subhi[1]);
-        if (x[j][2] > subhi[2]) rmaxbig = MAX(rmaxbig,x[j][2]-subhi[2]);
-        if (maxstrain[j] < qfactor) {
-          if (x[j][0] < sublo[0]) rmax = MAX(rmax,sublo[0]-x[j][0]);
-          if (x[j][1] < sublo[1]) rmax = MAX(rmax,sublo[1]-x[j][1]);
-          if (x[j][2] < sublo[2]) rmax = MAX(rmax,sublo[2]-x[j][2]);
-          if (x[j][0] > subhi[0]) rmax = MAX(rmax,x[j][0]-subhi[0]);
-          if (x[j][1] > subhi[1]) rmax = MAX(rmax,x[j][1]-subhi[1]);
-          if (x[j][2] > subhi[2]) rmax = MAX(rmax,x[j][2]-subhi[2]);
+      emax = MAX(emax,maxstrain[j]);
+      if (selfstrain == maxstrain[j]) ncount++;
+
+      // optional diagnostic
+      // tally largest distance from subbox that a ghost atom is (rmaxbig)
+      // and the largest distance if strain < qfactor (rmax)
+
+      if (checkghost) {
+        if (j >= nlocal) {
+          if (x[j][0] < sublo[0]) rmaxbig = MAX(rmaxbig,sublo[0]-x[j][0]);
+          if (x[j][1] < sublo[1]) rmaxbig = MAX(rmaxbig,sublo[1]-x[j][1]);
+          if (x[j][2] < sublo[2]) rmaxbig = MAX(rmaxbig,sublo[2]-x[j][2]);
+          if (x[j][0] > subhi[0]) rmaxbig = MAX(rmaxbig,x[j][0]-subhi[0]);
+          if (x[j][1] > subhi[1]) rmaxbig = MAX(rmaxbig,x[j][1]-subhi[1]);
+          if (x[j][2] > subhi[2]) rmaxbig = MAX(rmaxbig,x[j][2]-subhi[2]);
+          if (maxstrain[j] < qfactor) {
+            if (x[j][0] < sublo[0]) rmax = MAX(rmax,sublo[0]-x[j][0]);
+            if (x[j][1] < sublo[1]) rmax = MAX(rmax,sublo[1]-x[j][1]);
+            if (x[j][2] < sublo[2]) rmax = MAX(rmax,sublo[2]-x[j][2]);
+            if (x[j][0] > subhi[0]) rmax = MAX(rmax,x[j][0]-subhi[0]);
+            if (x[j][1] > subhi[1]) rmax = MAX(rmax,x[j][1]-subhi[1]);
+            if (x[j][2] > subhi[2]) rmax = MAX(rmax,x[j][2]-subhi[2]);
+          }
         }
       }
     }
 
-    maxstrain_region[i] = emax;
+    if (maxhalfstrain[iold] < selfstrain) eligible[iold] = 0;
+    if (selfstrain < emax) eligible[iold] = 0;
+    else if (ncount > 1) {
+      eligible[iold] = 0;
+      emax = -emax;
+    }
+    maxstrain_domain[i] = emax;
   }
 
-  double rmax2[2],rmax2all[2];
-  rmax2[0] = rmax;
-  rmax2[1] = rmaxbig;
-  MPI_Allreduce(&rmax2,&rmax2all,2,MPI_DOUBLE,MPI_MAX,world);
-  rmaxever = rmax2all[0];
-  rmaxeverbig = rmax2all[1];
-
-  MPI_Allreduce(&mybonds,&allbonds,1,MPI_INT,MPI_SUM,world);
-
   //time4 = MPI_Wtime();
 
-  // reverse comm to acquire maxstrain_region from ghost atoms
-  // needed b/c neighbor list referred to old owned atoms,
-  //   so above loop may set maxstrain_region of ghost atoms
-  // forward comm to acquire maxstrain_region of all ghost atoms
+  // reverse comm to acquire maxstrain_domain from ghost atoms
+  //   needed b/c neigh list may refer to old owned atoms that are now ghost
+  // forward comm acquires maxstrain_domain of all current ghost atoms
 
-  commflag = STRAINREGION;
+  commflag = STRAINDOMAIN;
   comm->reverse_comm_fix(this);
   comm->forward_comm_fix(this);
 
   //time5 = MPI_Wtime();
 
-  // identify biased bonds and add to boost list
-  // for each max-strain bond IJ of atom I:
-  //   bias this bond only if all these conditions hold:
-  //     itag < jtag, so bond is only biased once
-  //     maxstrain[i] = maxstrain_region[i]
-  //     maxstrain[j] = maxstrain_region[j]
-  // NOTE: also need to check that maxstrain[i] = maxstrain[j] ??
-  //       don't think so, b/c maxstrain_region[i] includes maxstrain[i]
-
-  nboost = 0;
-
-  for (i = 0; i < nlocal; i++) {
-    if (numbond[i] == 0) continue;
-    itag = tag[i];
-    j = bonds[i][maxstrain_bondindex[i]].j;
-    jtag = tag[j];
-    if (itag > jtag) continue;
-
-    if (maxstrain[i] != maxstrain_region[i]) continue;
-    if (maxstrain[j] != maxstrain_region[j]) continue;
-
-    if (nboost == maxboost) {
-      maxboost += DELTABOOST;
-      memory->grow(boost,maxboost,"hyper/local:boost");
+  // -------------------------------------------------------------
+  // stage 3:
+  // create bias = list of Nbias biased bonds this proc owns
+  // -------------------------------------------------------------
+
+  // identify biased bonds and add to bias list
+  // bias the I,J maxhalf bond of atom I only if all these conditions hold:
+  //   maxstrain[i] = maxstrain_domain[i] (checked in stage 2)
+  //   maxstrain[j] = maxstrain_domain[j] (checked here)
+  //   I is not part of an I,J bond with > strain owned by some J (checked in 2)
+  //   no ties with other maxstrain bonds in atom I's domain (chedcked in 2)
+
+  nbias = 0;
+  for (iold = 0; iold < nlocal_old; iold++) {
+    if (eligible[iold] == 0) continue;
+    j = blist[maxhalf[iold]].j;
+    if (maxstrain[j] != maxstrain_domain[j]) continue;
+    if (nbias == maxbias) {
+      maxbias += DELTABIAS;
+      memory->grow(bias,maxbias,"hyper/local:bias");
     }
-    boost[nboost++] = i;
+    bias[nbias++] = maxhalf[iold];
   }
 
   //time6 = MPI_Wtime();
 
-  // apply boost force to bonds with locally max strain
+  // -------------------------------------------------------------
+  // stage 4:
+  // apply bias force to bonds with locally max strain
+  // -------------------------------------------------------------
 
   double **f = atom->f;
 
   int nobias = 0;
+  int negstrain = 0;
   mybias = 0.0;
 
-  for (int iboost = 0; iboost < nboost; iboost++) {
-    i = boost[iboost];
-    emax = maxstrain[i];
-    if (emax >= qfactor) {
+  for (int ibias = 0; ibias < nbias; ibias++) {
+    m = bias[ibias];
+    i = blist[m].i;
+    j = blist[m].j;
+
+    if (maxstrain[i] >= qfactor) {
       nobias++;
       continue;
     }
 
-    m = maxstrain_bondindex[i];
-    j = bonds[i][m].j;
-    r0 = bonds[i][m].r0;
-    boostcoeff = bonds[i][m].boostcoeff;
-
-    vbias = boostcoeff * vmax * (1.0 - emax*emax*invqfactorsq);
-    fbias = boostcoeff * 2.0 * vmax * emax / (qfactor*qfactor * r0);
-
     delx = x[i][0] - x[j][0];
     dely = x[i][1] - x[j][1];
     delz = x[i][2] - x[j][2];
     r = sqrt(delx*delx + dely*dely + delz*delz);
-    fbiasr = fbias / r;
+    r0 = blist[m].r0;
+    ebias = (r-r0) / r0;
+    vbias = biascoeff[m] * vmax * (1.0 - ebias*ebias*invqfactorsq);
+    fbias = biascoeff[m] * 2.0 * vmax * ebias * invqfactorsq;
 
+    fbiasr = fbias / r0 / r;
     f[i][0] += delx*fbiasr;
     f[i][1] += dely*fbiasr;
     f[i][2] += delz*fbiasr;
@@ -642,131 +668,102 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
     f[j][1] -= dely*fbiasr;
     f[j][2] -= delz*fbiasr;
 
+    if (ebias < 0.0) negstrain++;
     mybias += vbias;
   }
 
   //time7 = MPI_Wtime();
 
-  // no boostostat update of boost coeffs when pre_reverse called from setup()
-  // nboost_running, nobias_running, sumboostcoeff only incremented on run steps
-  // NOTE: maybe should also not bias any bonds on firststep of this fix
+  // -------------------------------------------------------------
+  // apply boostostat to bias coeffs of all bonds I own
+  // -------------------------------------------------------------
+
+  // no boostostat update when pre_reverse called from setup()
+  // nbias_running, nobias_running, negstrain_running only incremented
+  //   on run steps
 
   if (setupflag) return;
-  nboost_running += nboost;
+  nbias_running += nbias;
   nobias_running += nobias;
+  negstrain_running += negstrain;
 
-  // apply boostostat to boost coefficients of all bonds of all owned atoms
-  // use per-atom full bond list
-  // this is double-calculating for IJ and JI bonds
-  //   should be identical for both, b/c emax is the same
-  //   could compute once, but would have to find/store index of JI bond
-  // delta in boost coeff is function of maxboost_region vs target boost
-  // maxboost_region is function of two maxstrain_regions for I,J
-  // NOTE: if J is lost to I but not vice versa, then biascoeff IJ != JI
-
-  double myboost = 0.0;
-  double emaxi,emaxj,maxboost_region;
-
-  for (i = 0; i < nlocal; i++) {
-    emaxi = maxstrain_region[i];
-    nbond = numbond[i];
-    for (m = 0; m < nbond; m++) {
-      j = bonds[i][m].j;
-      if (j < 0) continue;
-      emaxj = maxstrain_region[j];
-      emax = MAX(emaxi,emaxj);
-      if (emax < qfactor) vbias = vmax * (1.0 - emax*emax*invqfactorsq);
-      else vbias = 0.0;
-      boostcoeff = bonds[i][m].boostcoeff;
-      maxboost_region = exp(beta * boostcoeff*vbias);
-      boostcoeff -= alpha * (maxboost_region-boosttarget) / boosttarget;
-      // COMMENT OUT for now - need better way to bound boostcoeff
-      //boostcoeff = MIN(boostcoeff,COEFFMAX);
-      myboost += boostcoeff;
-      maxboostcoeff = MAX(maxboostcoeff,boostcoeff);
-      minboostcoeff = MIN(minboostcoeff,boostcoeff);
-      bonds[i][m].boostcoeff = boostcoeff;
-    }
+  // loop over bonds I own to adjust bias coeff
+  // delta in boost coeff is function of maxboost_domain vs target boost
+  // maxboost_domain is function of two maxstrain_domains for I,J
+
+  double emaxi,emaxj,maxboost_domain,bc;
+  double mybiascoeff = 0.0;
+
+  for (m = 0; m < nblocal; m++) {
+    i = blist[m].i;
+    j = blist[m].j;
+    emaxi = maxstrain_domain[i];
+    emaxj = maxstrain_domain[j];
+    emax = MAX(emaxi,emaxj);
+    if (emax < qfactor) vbias = vmax * (1.0 - emax*emax*invqfactorsq);
+    else vbias = 0.0;
+
+    maxboost_domain = exp(beta * biascoeff[m]*vbias);
+    biascoeff[m] -= alpha * (maxboost_domain-boost_target) / boost_target;
+
+    // stats
+
+    bc = biascoeff[m];
+    mybiascoeff += bc;
+    minbiascoeff = MIN(minbiascoeff,bc);
+    maxbiascoeff = MAX(maxbiascoeff,bc);
   }
 
-  // running stats
-
-  MPI_Allreduce(&myboost,&allboost,1,MPI_DOUBLE,MPI_SUM,world);
-  if (allbonds) sumboostcoeff += allboost/allbonds;
-
-  // histogram the bond coeffs and output as requested
-  // do not double count each bond
-
-  if (histoflag && update->ntimestep % histo_every == 0) {
-    if (histo_steps == 0)
-      for (i = 0; i < histo_count+2; i++) histo[i] = 0;
-    histo_steps++;
-
-    int ihisto;
-    for (i = 0; i < nlocal; i++) {
-      nbond = numbond[i];
-      for (m = 0; m < nbond; m++) {
-        if (tag[i] > bonds[i][m].jtag) continue;
-        boostcoeff = bonds[i][m].boostcoeff;
-        if (boostcoeff < histo_lo) ihisto = -1;
-        else ihisto = static_cast<int> ((boostcoeff-histo_lo) * invhisto_delta);
-        if (ihisto >= histo_count) ihisto = histo_count;
-        histo[ihisto+1]++;
-      }
-    }
+  // -------------------------------------------------------------
+  // diagnostics, some optional
+  // -------------------------------------------------------------
 
-    if (update->ntimestep % histo_print == 0) {
-      MPI_Allreduce(histo,allhisto,histo_count+2,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&mybiascoeff,&sumbiascoeff,1,MPI_DOUBLE,MPI_SUM,world);
+  if (allbonds) avebiascoeff += sumbiascoeff/allbonds;
 
-      bigint total = 0;
-      for (i = 0; i < histo_count+2; i++) total += allhisto[i];
+  // if requested, monitor ghost distance from processor sub-boxes
 
-      if (me == 0) {
-        if (screen) {
-          fprintf(screen,"Histogram of bias coeffs:\n");
-          for (i = 0; i < histo_count+2; i++)
-            fprintf(screen,"  %g",1.0*allhisto[i]/total);
-          fprintf(screen,"\n");
-        }
-        if (logfile) {
-          fprintf(logfile,"Histogram of bias coeffs:\n");
-          for (i = 0; i < histo_count+2; i++)
-            fprintf(logfile,"  %g",1.0*allhisto[i]/total);
-          fprintf(logfile,"\n");
-        }
-      }
-    }
+  if (checkghost) {
+    double rmax2[2],rmax2all[2];
+    rmax2[0] = rmax;
+    rmax2[1] = rmaxbig;
+    MPI_Allreduce(&rmax2,&rmax2all,2,MPI_DOUBLE,MPI_MAX,world);
+    rmaxever = rmax2all[0];
+    rmaxeverbig = rmax2all[1];
   }
 
-  // check for any biased bonds that are too close to each other
+  // if requsted, check for any biased bonds that are too close to each other
   // keep a running count for output
+  // requires 2 additional local comm operations
 
   if (checkbias && update->ntimestep % checkbias_every == 0) {
 
     // mark each atom in a biased bond with ID of partner
-    // nboost loop will mark some ghost atoms
+    // this may mark some ghost atoms
 
     for (i = 0; i < nall; i++) biasflag[i] = 0;
 
-    for (int iboost = 0; iboost < nboost; iboost++) {
-      i = boost[iboost];
-      m = maxstrain_bondindex[i];
-      j = bonds[i][m].j;
+    tagint *tag = atom->tag;
+
+    for (int ibias = 0; ibias < nbias; ibias++) {
+      m = bias[ibias];
+      i = blist[m].i;
+      j = blist[m].j;
       biasflag[i] = tag[j];
       biasflag[j] = tag[i];
     }
 
     // reverse comm to acquire biasflag from ghost atoms
-    // needed b/c above loop may set biasflag of ghost atoms
-    // forward comm to acquire biasflag of all ghost atoms
+    // forward comm to set biasflag for all ghost atoms
 
     commflag = BIASFLAG;
     comm->reverse_comm_fix(this);
     comm->forward_comm_fix(this);
 
+    // loop over Dcut full neighbor list
     // I and J may be ghost atoms
     // only continue if I is a biased atom
-    // if J is unknonw (drifted ghost) just ignore
+    // if J is unknown (drifted ghost) just ignore
     // if J is biased and is not bonded to I, then flag as too close
 
     for (ii = 0; ii < inum; ii++) {
@@ -784,30 +781,17 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
         if (biasflag[j] && biasflag[j] != tag[i]) checkbias_count++;
       }
     }
-  }
-
-  // check for any bond bias coeffcients that do not match
-  // cannot check unless both atoms IJ are owned by this proc
-  // keep a running count for output
-
-  if (checkcoeff && update->ntimestep % checkcoeff_every == 0) {
-    int jb,jbonds;
 
-    for (i = 0; i < nlocal; i++) {
-      nbond = numbond[i];
-      for (m = 0; m < nbond; m++) {
-        if (tag[i] > bonds[i][m].jtag) continue;
-        j = bonds[i][m].j;
-        if (j < 0) continue;
-        if (j >= nlocal) continue;
-        itag = tag[i];
-        jbonds = numbond[j];
-        for (jb = 0; jb < jbonds; jb++)
-          if (bonds[j][jb].jtag == itag) break;
-        if (jb == jbonds)
-          error->one(FLERR,"Fix hyper/local could not find duplicate bond");
-        if (bonds[i][m].boostcoeff != bonds[j][jb].boostcoeff)
-          checkcoeff_count++;
+    if (checkbias_flag != IGNORE) {
+      int allcount;
+      MPI_Allreduce(&checkbias_count,&allcount,1,MPI_INT,MPI_SUM,world);
+      if (allcount) {
+        char str[128];
+        sprintf(str,"Fix hyper/local biased bonds too close: "
+                "cumulative atom count %d",allcount);
+        if (checkbias_flag == WARN) {
+          if (me == 0) error->warning(FLERR,str);
+        } else error->all(FLERR,str);
       }
     }
   }
@@ -824,9 +808,9 @@ void FixHyperLocal::min_pre_neighbor()
 
 void FixHyperLocal::build_bond_list(int natom)
 {
-  int i,j,ii,jj,m,n,inum,jnum,nbond;
-  tagint itag,jtag;
-  double xtmp,ytmp,ztmp,delx,dely,delz,rsq,oldcoeff;
+  int i,j,ii,jj,m,n,iold,jold,ilocal,jlocal,inum,jnum,nbond;
+  tagint jtag;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq,distsq,oldcoeff;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   double time1,time2;
@@ -837,159 +821,260 @@ void FixHyperLocal::build_bond_list(int natom)
     nevent_atom += natom;
   }
 
-  // trigger Dcut neighbor list build
-  // NOTE: turn off special bonds in this Dcut neigh list?
+  // compute max distance any bond atom has moved between 2 quenched states
+  // xold[iold] = last quenched coord for iold
+  // x[ilocal] = current quenched coord for same atom
+  // use of old2now calculates distsq only once per atom
+
+  double **x = atom->x;
+
+  for (i = 0; i < nall_old; i++) old2now[i] = -1;
+
+  for (m = 0; m < nblocal; m++) {
+    iold = blist[m].iold;
+    if (old2now[iold] < 0) {
+      ilocal = atom->map(tagold[iold]);
+      ilocal = domain->closest_image(xold[iold],ilocal);
+      if (ilocal < 0) error->one(FLERR,"Fix hyper/local bond atom not found");
+      old2now[iold] = ilocal;
+      distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
+      maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+    jold = blist[m].jold;
+    if (old2now[jold] < 0) {
+      jold = blist[m].jold;
+      jlocal = atom->map(tagold[jold]);
+      jlocal = domain->closest_image(xold[iold],jlocal);  // close to I atom
+      if (jlocal < 0) error->one(FLERR,"Fix hyper/local bond atom not found");
+      old2now[jold] = jlocal;
+      distsq = MathExtra::distsq3(x[jlocal],xold[jold]);
+      maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+  }
+
+  // store old bond coeffs so can persist them in new blist
+  // while loop allows growing value of maxbondperatom
+  // will loop at most 2 times, stops when maxbondperatom is large enough
+  // requires reverse comm, no forward comm:
+  //    b/c new coeff list is stored only by current owned atoms
+
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+  int nall = nlocal + atom->nghost;
+
+  if (maxcoeff < nall) {
+    memory->destroy(numcoeff);
+    memory->sfree(clist);
+    maxcoeff = atom->nmax;
+    memory->create(numcoeff,maxcoeff,"hyper/local:numcoeff");
+    clist = (OneCoeff **) memory->smalloc(maxcoeff*sizeof(OneCoeff *),
+                                         "hyper/local:clist");
+  }
+
+  while (1) {
+    if (firstflag) break;
+    for (i = 0; i < nall; i++) numcoeff[i] = 0;
+    for (i = 0; i < nall; i++) clist[i] = NULL;
+    cpage->reset();
+
+    for (m = 0; m < nblocal; m++) {
+      i = blist[m].i;
+      j = blist[m].j;
+
+      if (numcoeff[i] == 0) clist[i] = cpage->get(maxbondperatom);
+      if (numcoeff[j] == 0) clist[j] = cpage->get(maxbondperatom);
+
+      if (numcoeff[i] < maxbondperatom) {
+        clist[i][numcoeff[i]].biascoeff = biascoeff[m];
+        clist[i][numcoeff[i]].tag = tag[j];
+      }
+      numcoeff[i]++;
+
+      if (numcoeff[j] < maxbondperatom) {
+        clist[j][numcoeff[j]].biascoeff = biascoeff[m];
+        clist[j][numcoeff[j]].tag = tag[i];
+      }
+      numcoeff[j]++;
+    }
 
-  neighbor->build_one(list);
+    int mymax = 0;
+    for (i = 0; i < nall; i++) mymax = MAX(mymax,numcoeff[i]);
+    int maxcoeffall;
+    MPI_Allreduce(&mymax,&maxcoeffall,1,MPI_INT,MPI_MAX,world);
 
-  // make copy of old bonds to preserve boostcoeffs for bonds that persist
-  // allocate new numbond
+    if (maxcoeffall > maxbondperatom) {
+      maxbondperatom = maxcoeffall;
+      cpage->init(maxbondperatom,1024*maxbondperatom,1);
+      continue;
+    }
 
-  OneBond **old_bonds = bonds;
-  int *old_numbond = numbond;
+    commflag = BIASCOEFF;
+    comm->reverse_comm_fix_variable(this);
 
-  int nmax = atom->nmax;
-  memory->create(numbond,nmax,"hyper/local:numbond");
+    mymax = 0;
+    for (i = 0; i < nall; i++) mymax = MAX(mymax,numcoeff[i]);
+    MPI_Allreduce(&mymax,&maxcoeffall,1,MPI_INT,MPI_MAX,world);
+    if (maxcoeffall <= maxbondperatom) break;
 
-  // old_nall = value of nall at time bonds are built
-  // reallocate new xold and tagold if necessary
-  // initialize xold to current coords
-  // initialize tagold to zero, so atoms not in neighbor list will remain zero
+    maxbondperatom = maxcoeffall;
+    cpage->init(maxbondperatom,1024*maxbondperatom,1);
+  }
 
-  old_nall = atom->nlocal + atom->nghost;
+  // reallocate vectors that are maxlocal and maxall length if necessary
+
+  if (nlocal > maxlocal) {
+    memory->destroy(eligible);
+    memory->destroy(numbond);
+    memory->destroy(maxhalf);
+    memory->destroy(maxhalfstrain);
+    maxlocal = nlocal;
+    memory->create(eligible,maxlocal,"hyper/local:eligible");
+    memory->create(numbond,maxlocal,"hyper/local:numbond");
+    memory->create(maxhalf,maxlocal,"hyper/local:maxhalf");
+    memory->create(maxhalfstrain,maxlocal,"hyper/local:maxhalfstrain");
+  }
 
-  if (old_nall > maxold) {
+  if (nall > maxall) {
     memory->destroy(xold);
     memory->destroy(tagold);
     memory->destroy(old2now);
-    maxold = atom->nmax;
-    memory->create(xold,maxold,3,"hyper/local:xold");
-    memory->create(tagold,maxold,"hyper/local:tagold");
-    memory->create(old2now,maxold,"hyper/local:old2now");
+    maxall = atom->nmax;
+    memory->create(xold,maxall,3,"hyper/local:xold");
+    memory->create(tagold,maxall,"hyper/local:tagold");
+    memory->create(old2now,maxall,"hyper/local:old2now");
   }
 
-  double **x = atom->x;
+  // nlocal_old = value of nlocal at time bonds are built
+  // nall_old = value of nall at time bonds are built
+  // archive current atom coords in xold
+  // tagold will be set to non-zero below for accessed atoms
+  // numbond will be set below
 
-  memcpy(&xold[0][0],&x[0][0],3*old_nall*sizeof(double));
-  for (i = 0; i < old_nall; i++) tagold[i] = 0;
+  nlocal_old = nlocal;
+  nall_old = nall;
 
-  // create and populate new bonds data struct
-  // while loop allows maxbondperatom to increase once if necessary
-  //   don't know new maxbondperatom value until end of loop
-  // in practice maxbondperatom will hardly ever increase
-  //   since there is a physical max value
+  memcpy(&xold[0][0],&x[0][0],3*nall*sizeof(double));
+  for (i = 0; i < nall; i++) tagold[i] = 0;
+  for (i = 0; i < nlocal; i++) numbond[i] = 0;
 
-  tagint *tag = atom->tag;
-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
+  // trigger neighbor list builds for both lists
+  // insure the I loops in both are from 1 to nlocal
 
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
+  neighbor->build_one(listfull);
+  neighbor->build_one(listhalf);
 
-  while (1) {
-    bonds = (OneBond **) memory->create(bonds,nmax,maxbondperatom,
-                                        "hyper/local:bonds");
-    if (bonds) memset(bonds[0],0,nmax*sizeof(OneBond));
-    for (i = 0; i < nlocal; i++) numbond[i] = 0;
+  if (listfull->inum != nlocal || listhalf->inum != nlocal)
+    error->one(FLERR,"Invalid neighbor list in fix hyper/local bond build");
 
-    // identify bonds assigned to each owned atom
-    // do not create a bond between two non-group atoms
-    // set tagold = global ID for all I,J atoms used in neighbor list
-    //   tagold remains 0 for unused atoms, skipped in pre_neighbor
+  // set tagold = 1 for all J atoms used in full neighbor list
+  // tagold remains 0 for unused atoms, skipped in pre_neighbor
 
-    int nbondmax = 0;
+  inum = listfull->inum;
+  ilist = listfull->ilist;
+  numneigh = listfull->numneigh;
+  firstneigh = listfull->firstneigh;
 
-    for (ii = 0; ii < inum; ii++) {
-      i = ilist[ii];
-      xtmp = x[i][0];
-      ytmp = x[i][1];
-      ztmp = x[i][2];
-      itag = tag[i];
-      tagold[i] = tag[i];
-      jlist = firstneigh[i];
-      jnum = numneigh[i];
-      nbond = 0;
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    tagold[i] = tag[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      tagold[j] = tag[j];
+    }
+  }
 
-      for (jj = 0; jj < jnum; jj++) {
-        j = jlist[jj];
-        j &= NEIGHMASK;
-        jtag = tag[j];
-        tagold[j] = jtag;
-
-        // skip if neither atom I or J are in fix group
-        // order IJ to insure IJ and JI bonds are stored consistently
-
-        if (!(mask[i] & groupbit) && !(mask[j] & groupbit)) continue;
-
-        if (itag < jtag) {
-          delx = xtmp - x[j][0];
-          dely = ytmp - x[j][1];
-          delz = ztmp - x[j][2];
-        } else {
-          delx = x[j][0] - xtmp;
-          dely = x[j][1] - ytmp;
-          delz = x[j][2] - ztmp;
-        }
+  // identify bonds assigned to each owned atom
+  // do not create a bond between two non-group atoms
 
-        rsq = delx*delx + dely*dely + delz*delz;
+  int *mask = atom->mask;
 
-        // NOTE: could create two bonds for IJ both owned from one calc?
-        //       have to skip one of 2 bonds in that case
+  inum = listhalf->inum;
+  ilist = listhalf->ilist;
+  numneigh = listhalf->numneigh;
+  firstneigh = listhalf->firstneigh;
 
-        if (rsq < cutbondsq) {
-          if (nbond >= maxbondperatom) {
-            nbond++;
-            continue;
-          }
+  nblocal = 0;
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+
+    tagold[i] = tag[i];
 
-          bonds[i][nbond].r0 = sqrt(rsq);
-          bonds[i][nbond].jtag = tag[j];
-          bonds[i][nbond].j = j;
-
-          if (firstflag) oldcoeff = 0.0;
-          else {
-            oldcoeff = 0.0;
-            jtag = tag[j];
-            n = old_numbond[i];
-            for (m = 0; m < n; m++) {
-              if (old_bonds[i][m].jtag == jtag) {
-                oldcoeff = old_bonds[i][m].boostcoeff;
-                break;
-              }
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+    nbond = 0;
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      jtag = tag[j];
+      tagold[j] = jtag;
+
+      // skip if neither atom I or J are in fix group
+
+      if (!(mask[i] & groupbit) && !(mask[j] & groupbit)) continue;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cutbondsq) {
+        nbond++;
+
+        if (nblocal == maxbond) grow_bond();
+        blist[nblocal].i = i;
+        blist[nblocal].j = j;
+        blist[nblocal].iold = i;
+        blist[nblocal].jold = j;
+        blist[nblocal].r0 = sqrt(rsq);
+
+        // set biascoeff to old coeff for same I,J pair or to default
+
+        if (firstflag) oldcoeff = 0.0;
+        else {
+          oldcoeff = 0.0;
+          jtag = tag[j];
+          n = numcoeff[i];
+          for (m = 0; m < n; m++) {
+            if (clist[i][m].tag == jtag) {
+              oldcoeff = clist[i][m].biascoeff;
+              break;
             }
           }
+        }
 
-          if (oldcoeff > 0.0) bonds[i][nbond].boostcoeff = oldcoeff;
-          else {
-            bonds[i][nbond].boostcoeff = BOOSTINIT;
-            nnewbond++;
-          }
-          nbond++;
+        if (oldcoeff > 0.0) biascoeff[nblocal] = oldcoeff;
+        else {
+          biascoeff[nblocal] = COEFFINIT;
+          nnewbond++;
         }
+
+        nblocal++;
       }
-      numbond[i] = nbond;
-      nbondmax = MAX(nbondmax,nbond);
     }
 
-    // maxbondperatom must increase uniformly on all procs
-    // since bonds are comunicated when atoms migrate
+    numbond[i] = nbond;
+  }
 
-    int allnbondmax;
-    MPI_Allreduce(&nbondmax,&allnbondmax,1,MPI_INT,MPI_MAX,world);
-    if (allnbondmax <= maxbondperatom) break;
+  // this fix allows access to biascoeffs as local data
 
-    maxbondperatom = allnbondmax;
-    memory->destroy(bonds);
-  }
+  size_local_rows = nblocal;
 
-  // deallocate old_bonds and old_numbond
+  // allbonds = total # of bonds in system
 
-  memory->destroy(old_bonds);
-  memory->destroy(old_numbond);
+  bigint bondcount = nblocal;
+  MPI_Allreduce(&bondcount,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
 
   time2 = MPI_Wtime();
+
   if (firstflag) nnewbond = 0;
   else {
     time_bondbuild += time2-time1;
@@ -1009,6 +1094,7 @@ int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf,
 
   // STRAIN
   // pack maxstrain vector
+  // must send to all ghosts out to Dcut
 
   if (commflag == STRAIN) {
     for (i = 0; i < n; i++) {
@@ -1016,17 +1102,20 @@ int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf,
       buf[m++] = maxstrain[j];
     }
 
-  // STRAINREGION
-  // pack maxstrain_region vector
+  // STRAINDOMAIN
+  // pack maxstrain_domain vector
+  // could just send to nearby ghosts in bonds
+  // don't see easy way to determine precisely which atoms that is
 
-  } else if (commflag == STRAINREGION) {
+  } else if (commflag == STRAINDOMAIN) {
     for (i = 0; i < n; i++) {
       j = list[i];
-      buf[m++] = maxstrain_region[j];
+      buf[m++] = maxstrain_domain[j];
     }
 
   // BIASFLAG
   // pack biasflag vector
+  // must send to all ghosts out to Dcut
 
   } else if (commflag == BIASFLAG) {
     for (i = 0; i < n; i++) {
@@ -1056,11 +1145,11 @@ void FixHyperLocal::unpack_forward_comm(int n, int first, double *buf)
     }
 
   // STRAINREGION
-  // unpack maxstrain_region vector
+  // unpack maxstrain_domain vector
 
-  } else if (commflag == STRAINREGION) {
+  } else if (commflag == STRAINDOMAIN) {
     for (i = first; i < last; i++) {
-      maxstrain_region[i] = buf[m++];
+      maxstrain_domain[i] = buf[m++];
     }
 
   // BIASFLAG
@@ -1077,46 +1166,136 @@ void FixHyperLocal::unpack_forward_comm(int n, int first, double *buf)
 
 int FixHyperLocal::pack_reverse_comm(int n, int first, double *buf)
 {
-  int i,m,last;
+  int i,j,m,last;
 
   m = 0;
   last = first + n;
 
-  // STRAINREGION
-  // pack maxstrain_region vector
+  // STRAIN
+  // pack maxstrain vector
+  // only pack for nonzero values
+
+  if (commflag == STRAIN) {
+    int nonzero = 0;
+    m++;                           // placeholder for count of atoms
+    for (i = first; i < last; i++) {
+      if (maxstrain[i] == 0.0) continue;
+      nonzero++;
+      buf[m++] = ubuf(i-first).d;  // which atom is next
+      buf[m++] = maxstrain[i];     // value
+    }
+    buf[0] = ubuf(nonzero).d;
+
+  // STRAINDOMAIN
+  // pack maxstrain_domain vector
+  // only pack for nonzero values
 
-  if (commflag == STRAINREGION) {
+  } else if (commflag == STRAINDOMAIN) {
+    int nonzero = 0;
+    m++;                           // placeholder for count of atoms
     for (i = first; i < last; i++) {
-      buf[m++] = maxstrain_region[i];
+      if (maxstrain_domain[i] == 0.0) continue;
+      nonzero++;
+      buf[m++] = ubuf(i-first).d;      // which atom is next
+      buf[m++] = maxstrain_domain[i];  // value
     }
+    buf[0] = ubuf(nonzero).d;
 
   // BIASFLAG
   // pack biasflag vector
+  // could just pack for nonzero values, like STRAIN and STRAINDOMAIN
 
   } else if (commflag == BIASFLAG) {
     for (i = first; i < last; i++) {
       buf[m++] = ubuf(biasflag[i]).d;
     }
+
+  // BIASCOEFF
+  // pack list of biascoeffs
+  // only pack for atoms with nonzero # of bias coeffs
+  // this will skip majority of ghost atoms
+
+  } else if (commflag == BIASCOEFF) {
+    int ncoeff;
+    int nonzero = 0;
+    m++;                             // placeholder for count of atoms
+    for (i = first; i < last; i++) {
+      if (numcoeff[i] == 0) continue;
+      nonzero++;
+      ncoeff = numcoeff[i];
+      buf[m++] = ubuf(i-first).d;   // which atom is next
+      buf[m++] = ubuf(ncoeff).d;    // # of bias coeffs
+      for (j = 0; j < ncoeff; j++) {
+        buf[m++] = clist[i][j].biascoeff;
+        buf[m++] = ubuf(clist[i][j].tag).d;
+      }
+    }
+    buf[0] = ubuf(nonzero).d;
   }
 
   return m;
 }
 
+/* ----------------------------------------------------------------------
+   callback by comm->reverse_comm_fix_variable() in build_bond()
+   same logic as BIASCOEFF option in pack_reverse_comm()
+   m = returned size of message
+------------------------------------------------------------------------- */
+
+int FixHyperLocal::pack_reverse_comm_size(int n, int first)
+{
+  int last = first + n;
+  int m = 1;
+  for (int i = first; i < last; i++) {
+    if (numcoeff[i]) m += 2 + 2*numcoeff[i];
+  }
+  return m;
+}
+
 /* ---------------------------------------------------------------------- */
 
 void FixHyperLocal::unpack_reverse_comm(int n, int *list, double *buf)
 {
-  int i,j,m;
+  int i,j,k,m;
+
+  // return if n = 0
+  // b/c if there are no atoms (n = 0), the message will not have
+  //   been sent by Comm::reverse_comm_fix() or reverse_comm_fix_variable()
+  // so must not read nonzero from first buf location (would be zero anyway)
+
+  if (n == 0) return;
+
+  // STRAIN
+  // unpack maxstrain vector
+  // nonzero # of entries, each has offset to which atom in receiver's list
+  // use MAX, b/c want maximum abs value strain for each atom's bonds
 
   m = 0;
 
-  // STRAINREGION
-  // unpack maxstrain_region vector
+  if (commflag == STRAIN) {
+    int offset;
+    int nonzero = (int) ubuf(buf[m++]).i;   // # of atoms with values
+
+    for (int iatom = 0; iatom < nonzero; iatom++) {
+      offset = (int) ubuf(buf[m++]).i;      // offset into list for which atom
+      j = list[offset];
+      maxstrain[j] = MAX(maxstrain[j],buf[m]);
+      m++;
+    }
 
-  if (commflag == STRAINREGION) {
-    for (i = 0; i < n; i++) {
-      j = list[i];
-      maxstrain_region[j] += buf[m++];
+  // STRAINDOMAIN
+  // unpack maxstrain_domain vector
+  // use MAX, b/c want maximum abs value strain for each atom's domain
+  // could also use SUM, b/c exactly one ghost or owned value is non-zero
+
+  } else if (commflag == STRAINDOMAIN) {
+    int offset;
+    int nonzero = (int) ubuf(buf[m++]).i;   // # of atoms with values
+    for (int iatom = 0; iatom < nonzero; iatom++) {
+      offset = (int) ubuf(buf[m++]).i;      // offset into list for which atom
+      j = list[offset];
+      maxstrain_domain[j] = MAX(maxstrain_domain[j],buf[m]);
+      m++;
     }
 
   // BIASFLAG
@@ -1127,84 +1306,45 @@ void FixHyperLocal::unpack_reverse_comm(int n, int *list, double *buf)
       j = list[i];
       biasflag[j] = (tagint) ubuf(buf[m++]).i;
     }
-  }
-}
-
-/* ----------------------------------------------------------------------
-   allocate atom-based arrays
-------------------------------------------------------------------------- */
-
-void FixHyperLocal::grow_arrays(int nmax)
-{
-  // NOTE: not all of these need to be Nmax in length, could allocate elsewhere
-
-  memory->grow(maxstrain,nmax,"hyper/local:maxstrain");
-  memory->grow(maxstrain_bondindex,nmax,"hyper/local:maxstrain_bondindex");
-  memory->grow(maxstrain_region,nmax,"hyper/local:maxstrain_region");
-  if (checkbias) memory->grow(biasflag,nmax,"hyper/local:biasflag");
-
-  memory->grow(numbond,nmax,"hyper/local:numbond");
-  memory->grow(bonds,nmax,maxbondperatom,"hyper/local:bonds");
-
-  // zero so valgrind does not complain about memcpy() in copy()
-  // also so loops in pre_neighbor() are OK before
-  //   bonds are setup for the first time
-
-  if (bonds) {
-    memset(bonds[maxbond],0,(nmax-maxbond)*maxbondperatom*sizeof(OneBond));
-    memset(&numbond[maxbond],0,(nmax-maxbond)*sizeof(int));
-    maxbond = nmax;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   copy values within local atom-based arrays
-------------------------------------------------------------------------- */
-
-void FixHyperLocal::copy_arrays(int i, int j, int /* delflag */)
-{
-  // avoid valgrind copy-to-self warning
-
-  if (i != j) memcpy(bonds[j],bonds[i],numbond[i]*sizeof(OneBond));
-  numbond[j] = numbond[i];
-}
-
-/* ----------------------------------------------------------------------
-   pack values in local atom-based array for exchange with another proc
-------------------------------------------------------------------------- */
 
-int FixHyperLocal::pack_exchange(int i, double *buf)
-{
-  int m = 1;
-  int n = numbond[i];
-  buf[m++] = ubuf(n).d;
-  for (int j = 0; j < n; j++) {
-    buf[m++] = bonds[i][j].r0;
-    buf[m++] = bonds[i][j].boostcoeff;
-    buf[m++] = ubuf(bonds[i][j].jtag).d;
-    buf[m++] = ubuf(bonds[i][j].j).d;
+  // BIASCOEFF
+  // unpack list of biascoeffs
+  // nonzero # of entries, each has offset to which atom in receiver's list
+  // protect against overflow of clist vector
+  // if that happens, caller will re-setup cpage and reverse comm again
+
+  } else if (commflag == BIASCOEFF) {
+    int offset,ncoeff;
+    int nonzero = (int) ubuf(buf[m++]).i;   // # of atoms with coeffs
+    for (int iatom = 0; iatom < nonzero; iatom++) {
+      offset = (int) ubuf(buf[m++]).i;      // offset into list for which atom
+      j = list[offset];
+      ncoeff = (int) ubuf(buf[m++]).i;      // # of bias coeffs
+      for (k = 0; k < ncoeff; k++) {
+        if (numcoeff[j] == 0) clist[j] = cpage->get(maxbondperatom);
+        if (numcoeff[j] < maxbondperatom) {
+          clist[j][numcoeff[j]].biascoeff = buf[m++];
+          clist[j][numcoeff[j]].tag = (tagint) ubuf(buf[m++]).i;
+        } else m += 2;
+        numcoeff[j]++;
+      }
+    }
   }
-
-  buf[0] = m;
-  return m;
 }
 
 /* ----------------------------------------------------------------------
-   unpack values in local atom-based array from exchange with another proc
+   grow bond list and bias coeff vector by a chunk
 ------------------------------------------------------------------------- */
 
-int FixHyperLocal::unpack_exchange(int nlocal, double *buf)
+void FixHyperLocal::grow_bond()
 {
-  int m = 1;
-  int n = numbond[nlocal] = (int) ubuf(buf[m++]).i;
-  for (int j = 0; j < n; j++) {
-    bonds[nlocal][j].r0 = buf[m++];
-    bonds[nlocal][j].boostcoeff = buf[m++];
-    bonds[nlocal][j].jtag = (tagint) ubuf(buf[m++]).i;
-    bonds[nlocal][j].j = (int) ubuf(buf[m++]).i;
-  }
-
-  return m;
+  if (maxbond + DELTABOND > MAXSMALLINT)
+    error->one(FLERR,"Fix hyper/local bond count is too big");
+  maxbond += DELTABOND;
+  blist = (OneBond *)
+    memory->srealloc(blist,maxbond*sizeof(OneBond),"hyper/local:blist");
+  memory->grow(biascoeff,maxbond,"hyper/local:biascoeff");
+  vector_local = biascoeff;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1220,41 +1360,40 @@ double FixHyperLocal::compute_scalar()
 
 double FixHyperLocal::compute_vector(int i)
 {
-  // 23 vector outputs returned for i = 0-22
+  // 21 vector outputs returned for i = 0-20
 
-  // i = 0 = # of boosted bonds on this step
+  // i = 0 = # of biased bonds on this step
   // i = 1 = max strain of any bond on this step
-  // i = 2 = average bias potential for all bonds on this step
+  // i = 2 = average bias coeff for all bonds on this step
   // i = 3 = ave bonds/atom on this step
   // i = 4 = ave neighbor bonds/bond on this step
 
-  // i = 5 = fraction of steps and bonds with no bias during this run
-  // i = 6 = max drift distance of any atom during this run
-  // i = 7 = max bond length during this run
-  // i = 8 = average # of boosted bonds/step during this run
-  // i = 9 = average bias potential for all bonds during this run
-  // i = 10 = max bias potential for any bond during this run
-  // i = 11 = min bias potential for any bond during this run
-  // i = 12 = max dist from my box of any ghost atom with
-  //          maxstain < qfactor during this run
-  // i = 13 = max dist from my box of any ghost atom with
+  // i = 5 = max bond length during this run
+  // i = 6 = average # of biased bonds/step during this run
+  // i = 7 = fraction of biased bonds with no bias during this run
+  // i = 8 = fraction of biased bonds with negative strain during this run
+  // i = 9 = average bias coeff for all bonds during this run
+  // i = 10 = min bias coeff for any bond during this run
+  // i = 11 = max bias coeff for any bond during this run
+
+  // i = 12 = max drift distance of any atom during this run
+  // i = 13 = max distance from proc subbox of any ghost atom with
+  //          maxstrain < qfactor during this run
+  // i = 14 = max distance from proc subbox of any ghost atom with
   //          any maxstrain during this run
-  // i = 14 = count of ghost atoms that could not be found
-  //          by any proc at any reneighbor step during this run
-  // i = 15 = count of lost bond partners during this run
-  // i = 16 = average bias coeff for lost bond partners during this run
-  // i = 17 = count of bias overlaps found during this run
-  // i = 18 = count of non-matching bias coefficients found during this run
-
-  // i = 19 = cummulative hyper time
-  // i = 20 = cummulative # of event timesteps since fix created
-  // i = 21 = cummulative # of atoms in events since fix created
-  // i = 22 = cummulative # of new bonds formed since fix created
+  // i = 15 = count of ghost atoms that could not be found
+  //          on reneighbor steps during this run
+  // i = 16 = count of bias overlaps (< Dcut) found during this run
+
+  // i = 17 = cumulative hyper time since fix created
+  // i = 18 = cumulative # of event timesteps since fix created
+  // i = 19 = cumulative # of atoms in events since fix created
+  // i = 20 = cumulative # of new bonds formed since fix created
 
   if (i == 0) {
-    int nboostall;
-    MPI_Allreduce(&nboost,&nboostall,1,MPI_INT,MPI_SUM,world);
-    return (double) nboostall;
+    int nbiasall;
+    MPI_Allreduce(&nbias,&nbiasall,1,MPI_INT,MPI_SUM,world);
+    return (double) nbiasall;
   }
 
   if (i == 1) {
@@ -1269,119 +1408,103 @@ double FixHyperLocal::compute_vector(int i)
   }
 
   if (i == 2) {
-    if (allboost && allbonds) return allboost/allbonds * vmax;
+    if (allbonds) return sumbiascoeff/allbonds;
     return 1.0;
   }
 
-  if (i == 3) return 1.0*allbonds/atom->natoms;
+  if (i == 3) {
+    return 2.0*allbonds/atom->natoms;
+  }
 
   if (i == 4) {
-    const int nlocal = atom->nlocal;
-    bigint nbonds = 0;
-    for (int j = 0; j < nlocal; j++)
-      nbonds += numbond[j];
-    bigint allbonds;
-    MPI_Allreduce(&nbonds,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
     bigint allneigh,thisneigh;
-    thisneigh = list->ipage->ndatum;
+    thisneigh = listfull->ipage->ndatum;
     MPI_Allreduce(&thisneigh,&allneigh,1,MPI_LMP_BIGINT,MPI_SUM,world);
     const double natoms = atom->natoms;
     const double neighsperatom = static_cast<double>(allneigh)/natoms;
-    const double bondsperatom = 0.5*static_cast<double>(allbonds)/natoms;
+    const double bondsperatom = static_cast<double>(allbonds)/natoms;
     return neighsperatom * bondsperatom;
   }
 
   if (i == 5) {
-    int allboost_running,allnobias_running;
-    MPI_Allreduce(&nboost_running,&allboost_running,1,MPI_INT,MPI_SUM,world);
-    MPI_Allreduce(&nobias_running,&allnobias_running,1,MPI_INT,MPI_SUM,world);
-    if (allboost_running) return 1.0*allnobias_running / allboost_running;
-    return 0.0;
+    double allbondlen;
+    MPI_Allreduce(&maxbondlen,&allbondlen,1,MPI_DOUBLE,MPI_MAX,world);
+    return allbondlen;
   }
 
   if (i == 6) {
-    double alldriftsq;
-    MPI_Allreduce(&maxdriftsq,&alldriftsq,1,MPI_DOUBLE,MPI_MAX,world);
-    return (double) sqrt(alldriftsq);
+    if (update->ntimestep == update->firststep) return 0.0;
+    int allbias_running;
+    MPI_Allreduce(&nbias_running,&allbias_running,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allbias_running / (update->ntimestep - update->firststep);
   }
 
   if (i == 7) {
-    double allbondlen;
-    MPI_Allreduce(&maxbondlen,&allbondlen,1,MPI_DOUBLE,MPI_MAX,world);
-    return allbondlen;
+    int allbias_running,allnobias_running;
+    MPI_Allreduce(&nbias_running,&allbias_running,1,MPI_INT,MPI_SUM,world);
+    MPI_Allreduce(&nobias_running,&allnobias_running,1,MPI_INT,MPI_SUM,world);
+    if (allbias_running) return 1.0*allnobias_running / allbias_running;
+    return 0.0;
   }
 
   if (i == 8) {
-    if (update->ntimestep == update->firststep) return 0.0;
-    int allboost_running;
-    MPI_Allreduce(&nboost_running,&allboost_running,1,MPI_INT,MPI_SUM,world);
-    return 1.0*allboost_running / (update->ntimestep - update->firststep);
+    int allbias_running,allnegstrain_running;
+    MPI_Allreduce(&nbias_running,&allbias_running,1,MPI_INT,MPI_SUM,world);
+    MPI_Allreduce(&negstrain_running,&allnegstrain_running,1,MPI_INT,
+                  MPI_SUM,world);
+    if (allbias_running) return 1.0*allnegstrain_running / allbias_running;
+    return 0.0;
   }
 
   if (i == 9) {
     if (update->ntimestep == update->firststep) return 0.0;
-    return sumboostcoeff * vmax / (update->ntimestep - update->firststep);
+    return avebiascoeff / (update->ntimestep - update->firststep);
   }
 
   if (i == 10) {
-    double allboostcoeff;
-    MPI_Allreduce(&maxboostcoeff,&allboostcoeff,1,MPI_DOUBLE,MPI_MAX,world);
-    return allboostcoeff * vmax;
+    double biascoeff;
+    MPI_Allreduce(&minbiascoeff,&biascoeff,1,MPI_DOUBLE,MPI_MIN,world);
+    return biascoeff;
   }
 
   if (i == 11) {
-    double allboostcoeff;
-    MPI_Allreduce(&minboostcoeff,&allboostcoeff,1,MPI_DOUBLE,MPI_MAX,world);
-    return allboostcoeff * vmax;
+    double biascoeff;
+    MPI_Allreduce(&maxbiascoeff,&biascoeff,1,MPI_DOUBLE,MPI_MAX,world);
+    return biascoeff;
+  }
+
+  if (i == 12) {
+    double alldriftsq;
+    MPI_Allreduce(&maxdriftsq,&alldriftsq,1,MPI_DOUBLE,MPI_MAX,world);
+    return (double) sqrt(alldriftsq);
   }
 
-  if (i == 12) return rmaxever;
-  if (i == 13) return rmaxeverbig;
+  if (i == 13) return rmaxever;
+  if (i == 14) return rmaxeverbig;
 
-  if (i == 14) {
+  if (i == 15) {
     int allghost_toofar;
     MPI_Allreduce(&ghost_toofar,&allghost_toofar,1,MPI_INT,MPI_SUM,world);
     return 1.0*allghost_toofar;
   }
 
-  if (i == 15) {
-    int alllost;
-    MPI_Allreduce(&lostbond_partner,&alllost,1,MPI_INT,MPI_SUM,world);
-    return 1.0*alllost;
-  }
-
   if (i == 16) {
-    int alllost;
-    MPI_Allreduce(&lostbond_partner,&alllost,1,MPI_INT,MPI_SUM,world);
-    double allcoeff;
-    MPI_Allreduce(&lostbond_coeff,&allcoeff,1,MPI_DOUBLE,MPI_SUM,world);
-    if (alllost == 0) return 0;
-    return allcoeff/alllost;
-  }
-
-  if (i == 17) {
     int allclose;
     MPI_Allreduce(&checkbias_count,&allclose,1,MPI_INT,MPI_SUM,world);
     return 1.0*allclose;
   }
 
-  if (i == 18) {
-    int allcoeff;
-    MPI_Allreduce(&checkcoeff_count,&allcoeff,1,MPI_INT,MPI_SUM,world);
-    return 1.0*allcoeff;
-  }
-
-  if (i == 19) {
-    return boosttarget * update->dt * (update->ntimestep - starttime);
+  if (i == 17) {
+    return boost_target * update->dt * (update->ntimestep - starttime);
   }
 
-  if (i == 20) return (double) nevent;
-  if (i == 21) return (double) nevent_atom;
+  if (i == 18) return (double) nevent;
+  if (i == 19) return (double) nevent_atom;
 
-  if (i == 22) {
-    int allnew;
-    MPI_Allreduce(&nnewbond,&allnew,1,MPI_INT,MPI_SUM,world);
-    return (double) 0.5*allnew;
+  if (i == 20) {
+    int allnewbond;
+    MPI_Allreduce(&nnewbond,&allnewbond,1,MPI_INT,MPI_SUM,world);
+    return (double) allnewbond;
   }
 
   return 0.0;
@@ -1394,32 +1517,30 @@ double FixHyperLocal::compute_vector(int i)
 
 double FixHyperLocal::query(int i)
 {
-  if (i == 1) return compute_vector(19);  // cummulative hyper time
-  if (i == 2) return compute_vector(20);  // nevent
-  if (i == 3) return compute_vector(21);  // nevent_atom
+  if (i == 1) return compute_vector(17);  // cummulative hyper time
+  if (i == 2) return compute_vector(18);  // nevent
+  if (i == 3) return compute_vector(19);  // nevent_atom
   if (i == 4) return compute_vector(3);   // ave bonds/atom
-  if (i == 5) return compute_vector(6);   // maxdrift
-  if (i == 6) return compute_vector(7);   // maxbondlen
-  if (i == 7) return compute_vector(5);   // fraction with zero bias
+  if (i == 5) return compute_vector(12);  // maxdrift
+  if (i == 6) return compute_vector(5);   // maxbondlen
+  if (i == 7) return compute_vector(7);   // fraction with zero bias
+  if (i == 8) return compute_vector(8);   // fraction with negative strain
 
   // unique to local hyper
 
-  if (i == 8) return compute_vector(22);   // number of new bonds
-  if (i == 9) return 1.0*maxbondperatom;   // max bonds/atom
-  if (i == 10) return compute_vector(8);   // ave # of boosted bonds/step
-  if (i == 11) return compute_vector(9);   // ave boost coeff over all bonds
-  if (i == 12) return compute_vector(10);  // max boost cooef for any bond
-  if (i == 13) return compute_vector(11);  // max boost cooef for any bond
-  if (i == 14) return compute_vector(4);   // neighbor bonds/bond
-  if (i == 15) return compute_vector(2);   // ave boost cooef now
-  if (i == 16) return time_bondbuild;      // CPU time for bond_build calls
-  if (i == 17) return rmaxever;            // ghost atom distance for < maxstrain
-  if (i == 18) return rmaxeverbig;         // ghost atom distance for any strain
-  if (i == 19) return compute_vector(14);  // count of ghost atoms not found
-  if (i == 20) return compute_vector(15);  // count of lost bond partners
-  if (i == 21) return compute_vector(16);  // ave bias coeff of long bonds
-  if (i == 22) return compute_vector(17);  // count of bias overlaps
-  if (i == 23) return compute_vector(18);  // count of non-matching bias coeffs
+  if (i == 9) return compute_vector(20);   // number of new bonds
+  if (i == 10) return 1.0*maxbondperatom;  // max bonds/atom
+  if (i == 11) return compute_vector(6);   // ave # of biased bonds/step
+  if (i == 12) return compute_vector(9);   // ave bias coeff over all bonds
+  if (i == 13) return compute_vector(10);  // min bias cooef for any bond
+  if (i == 14) return compute_vector(11);  // max bias cooef for any bond
+  if (i == 15) return compute_vector(4);   // neighbor bonds/bond
+  if (i == 16) return compute_vector(2);   // ave bias coeff now
+  if (i == 17) return time_bondbuild;      // CPU time for build_bond calls
+  if (i == 18) return rmaxever;            // ghost atom distance for < maxstrain
+  if (i == 19) return rmaxeverbig;         // ghost atom distance for any strain
+  if (i == 20) return compute_vector(15);  // count of ghost atoms not found
+  if (i == 21) return compute_vector(16);  // count of bias overlaps
 
   error->all(FLERR,"Invalid query to fix hyper/local");
 
@@ -1427,17 +1548,22 @@ double FixHyperLocal::query(int i)
 }
 
 /* ----------------------------------------------------------------------
-   memory usage of per-atom and per-bond arrays
+   memory usage of per-atom and per-bond data structs
 ------------------------------------------------------------------------- */
 
 double FixHyperLocal::memory_usage()
 {
-  int nmax = atom->nmax;
-  double bytes = 2*nmax * sizeof(int);     // numbond, maxstrain_bondindex
-  bytes = 2*nmax * sizeof(double);         // maxstrain, maxstrain_region
-  bytes += maxbondperatom*nmax * sizeof(OneBond);      // bonds
-  bytes += 3*maxold * sizeof(double);      // xold
-  bytes += maxold * sizeof(tagint);        // tagold
-  bytes += maxold * sizeof(int);           // old2now
+  double bytes = maxbond * sizeof(OneBond);       // blist
+  bytes = maxbond * sizeof(double);               // per-bond bias coeffs
+  bytes += 3*maxlocal * sizeof(int);              // numbond,maxhalf,eligible
+  bytes += maxlocal * sizeof(double);             // maxhalfstrain
+  bytes += maxall * sizeof(int);                  // old2now
+  bytes += maxall * sizeof(tagint);               // tagold
+  bytes += 3*maxall * sizeof(double);             // xold
+  bytes += 2*maxall * sizeof(double);             // maxstrain,maxstrain_domain
+  if (checkbias) bytes += maxall * sizeof(tagint);  // biasflag
+  bytes += maxcoeff * sizeof(int);                // numcoeff
+  bytes += maxcoeff * sizeof(OneCoeff *);         // clist
+  bytes += maxlocal*maxbondperatom * sizeof(OneCoeff);  // cpage estimate
   return bytes;
 }
diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h
index 147e3ef1efa47856deb6851b8cd9a4c2a39e1a27..6f13acb60616710393673f38a042da84f220ffe3 100644
--- a/src/REPLICA/fix_hyper_local.h
+++ b/src/REPLICA/fix_hyper_local.h
@@ -21,6 +21,7 @@ FixStyle(hyper/local,FixHyperLocal)
 #define LMP_FIX_HYPER_LOCAL_H
 
 #include "fix_hyper.h"
+#include "my_page.h"
 
 namespace LAMMPS_NS {
 
@@ -43,13 +44,9 @@ class FixHyperLocal : public FixHyper {
   int pack_forward_comm(int, int *, double *, int, int *);
   void unpack_forward_comm(int, int, double *);
   int pack_reverse_comm(int, int, double *);
+  int pack_reverse_comm_size(int, int);
   void unpack_reverse_comm(int, int *, double *);
 
-  void grow_arrays(int);
-  void copy_arrays(int, int, int);
-  int pack_exchange(int, double *);
-  int unpack_exchange(int, double *);
-
   double memory_usage();
 
   // extra methods visible to callers
@@ -59,97 +56,133 @@ class FixHyperLocal : public FixHyper {
 
  private:
   int me;
+
+  // inputs and derived quantities
+
   double cutbond,qfactor,vmax,tequil,dcut;
   double alpha_user;         // timescale to apply boostostat (time units)
   double alpha;              // unitless dt/alpha_user
-  double boosttarget;        // target value of boost
-  int histoflag;
-  int lostbond,lostbond_partner;
-  double lostbond_coeff;
-  int checkbias,checkbias_every,checkbias_flag,checkbias_count;
-  int checkcoeff,checkcoeff_every,checkcoeff_flag,checkcoeff_count;
+  double boost_target;       // target value of boost
+  int checkghost,checkbias;  // flags for optional stats
+
+  double cutbondsq,dcutsq;
+  double beta,invqfactorsq;
+
+  // flags
 
   int setupflag;             // 1 during setup, 0 during run
   int firstflag;             // set for first time bond_build takes place
-  int nostrainyet;           // 1 until maxstrain is first computed
+  int nostrainyet;           // 1 until maxstrain is first compute
+  bigint starttime;          // timestep when this fix was invoked
+  int commflag;              // flag for communication mode
+
+  // stats
 
-  int nboost_running,nobias_running;
-  int nbondbuild;
-  double time_bondbuild;
-  bigint starttime;
-  double sumboostcoeff;  // sum of aveboost at every timestep
-  int allbonds;          // sum of bond count on this step
-  double allboost;       // sum of boostcoeff on all bonds on this step
+  int nbondbuild;            // # of rebuilds of bond list
+  double time_bondbuild;     // CPU time for bond builds
 
-  int nnewbond;              // running tally of number of new bonds created
+  bigint allbonds;           // current total # of bonds
+  int nnewbond;              // running tally of # of new bonds created
   int maxbondperatom;        // max # of bonds any atom ever has
-  int commflag;              // flag for communication mode
   int nevent;                // # of events that trigger bond rebuild
   int nevent_atom;           // # of atoms that experienced an event
-  double cutbondsq,dcutsq;
-  double beta,invqfactorsq;
-  double mybias;
-  double maxbondlen;         // cummulative max length of any bond
-  double maxdriftsq;         // max distance any atom drifts from original pos
-  double maxboostcoeff;      // cummulative max boost coeff for any bond
-  double minboostcoeff;      // cummulative min boost coeff for any bond
-  double rmaxever,rmaxeverbig;
-  int ghost_toofar;
 
-  // extra timers
+  int nbias_running;         // running count of biased bonds
+  int nobias_running;        // ditto for bonds with bias = 0, b/c too long
+  int negstrain_running;     // ditto for bonds with negative strain
 
-  //double timefirst,timesecond,timethird,timefourth;
-  //double timefifth,timesixth,timeseventh,timetotal;
+  double mybias;             // sum of bias potentials for biased bonds
+  double maxbondlen;         // cummulative max length of any bond
+  double maxdriftsq;         // max distance any bond atom drifts from quenched x
 
-  // data structs for per-atom and per-bond info
-  // all of these are for current owned and ghost atoms
-  // except list and old2now are for atom indices at time of last bond build
+  double sumbiascoeff;       // sum of all bond bias coeffs at each timestep
+  double avebiascoeff;       // cummulative sumbiascoeff/allbonds across steps
+  double minbiascoeff;       // cummulative min bias coeff for any bond
+  double maxbiascoeff;       // cummulative max bias coeff for any bond
 
-  class NeighList *list;       // full neigh list up to Dcut distance
-                               // created only when bonds are rebuilt
+  double rmaxever,rmaxeverbig;
+  int ghost_toofar;          // # of ghost atoms not found in Dcut neigh list
+
+  int checkbias_every,checkbias_flag,checkbias_count;
 
-  int *old2now;                // o2n[i] = current local index of old atom i
-                               //   stored for old owned and ghost atoms
-                               //   I = old index when bonds were last created
-                               //   old indices are stored in old neighbor list
+  // 2 neighbor lists
 
-  double **xold;               // coords of owned+ghost atoms when bonds created
-  tagint *tagold;              // global IDs of owned+ghost atoms when b created
+  class NeighList *listfull;   // full neigh list up to Dcut distance
+  class NeighList *listhalf;   // half neigh list up to pair distance
+                               // both created only when bonds are rebuilt
 
-  int maxold;                  // allocated size of old2now
-  int maxbond;                 // allocated size of bonds
-  int old_nall;                // nlocal+nghost when old2now was last setup
+  // list of my owned bonds and bias coeffs
+  // persists on a proc from one event until the next
 
   struct OneBond {             // single IJ bond, atom I is owner
-    double r0;                 // original relaxed bond length
-    double boostcoeff;         // boost coefficient
-    tagint jtag;               // global index of J atom in bond IJ
-    int j;                     // local index of J atom in bond IJ
+    int i,j;                   // current local indices of 2 bond atoms
+    int iold,jold;             // local indices when bonds were formed
+    double r0;                 // relaxed bond length
   };
 
-  struct OneBond **bonds;      // 2d array of bonds for owned atoms
-  int *numbond;                // number of bonds for each owned atom
+  OneBond *blist;              // list of owned bonds
+  double *biascoeff;           // biasing coefficient Cij for each bond
+  int nblocal;                 // # of owned bonds
+  int maxbond;                 // allocated size of blist
+
+  // old data from last timestep bonds were formed
+  // persists on a proc from one event until the next
+  // first set of vectors are maxlocal in length
+  // second set of vectors are maxall in length
+
+  int nlocal_old;               // nlocal for old atoms
+  int nall_old;                 // nlocal+nghost for old atoms
+  int maxlocal;                 // allocated size of old local atom vecs
+  int maxall;                   // allocated size of old all atom vecs
+
+  int *numbond;                 // # of bonds owned by old owned atoms
+  int *maxhalf;                 // bond index for maxstrain bond of old atoms
+  int *eligible;                // 0/1 flag for bias on one of old atom's bonds
+  double *maxhalfstrain;        // strain value for maxstrain bond of old atoms
+
+  int *old2now;                 // o2n[i] = current local index of old atom I
+                                // may be -1 if ghost atom has drifted
+  tagint *tagold;               // IDs of atoms when bonds were formed
+                                // 0 if a ghost atom is not in Dcut neigh list
+  double **xold;                // coords of atoms when bonds were formed
+
+  // vectors used to find maxstrain bonds within a local domain
+
+  int maxatom;                 // size of these vectors, nlocal + nghost
 
   double *maxstrain;           // max-strain of any bond atom I is part of
                                //   for owned and ghost atoms
-  double *maxstrain_region;    // max-strain of any neighbor atom J of atom I
+  double *maxstrain_domain;    // max-strain of any neighbor atom J of atom I
                                //   for owned and ghost atoms
-  int *maxstrain_bondindex;    // index of max-strain bond of each atom I
-                               //   just for owned atoms
   tagint *biasflag;            // atoms in biased bonds marked with bond partner
                                //   for owned and ghost atoms
 
-  // list of boosted bonds that this proc will bias
+  // list of biased bonds this proc owns
+
+  int maxbias;                 // allocated size of bias list
+  int nbias;                   // # of biased bonds I own
+  int *bias;                   // index of biased bonds in my bond list
 
-  int maxboost;                // allocated size of boost list
-  int nboost;                  // # of boosted bonds I own
-  int *boost;                  // index of atom I in each boosted bond
+  // data structs for persisting bias coeffs when bond list is reformed
+
+  struct OneCoeff {
+    double biascoeff;
+    tagint tag;
+  };
+
+  MyPage<OneCoeff> *cpage;     // pages of OneCoeff datums for clist
+  OneCoeff **clist;            // ptrs to vectors of bias coeffs for each atom
+  int *numcoeff;               // # of bias coeffs per atom (one per bond)
+  int maxcoeff;                // allocate sized of clist and numcoeff
+
+  // extra timers
+
+  //double timefirst,timesecond,timethird,timefourth;
+  //double timefifth,timesixth,timeseventh,timetotal;
 
-  // histogramming of bond boost cooeficients
+  // private methods
 
-  int histo_every,histo_count,histo_print,histo_steps;
-  double histo_delta,invhisto_delta,histo_lo;
-  bigint *histo,*allhisto;
+  void grow_bond();
 };
 
 }
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 22940de221596d3f8967782130e9e73b7f334185..00b91684e9e7476cf70d39e894bf71026841023e 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -40,9 +40,7 @@ enum{NOHYPER,GLOBAL,LOCAL};
 
 /* ---------------------------------------------------------------------- */
 
-Hyper::Hyper(LAMMPS *lmp) :
-  Pointers(lmp), dumplist(NULL)
-{}
+Hyper::Hyper(LAMMPS *lmp) : Pointers(lmp), dumplist(NULL) {}
 
 /* ----------------------------------------------------------------------
    perform hyperdynamics simulation
@@ -183,9 +181,6 @@ void Hyper::command(int narg, char **arg)
 
   if (hyperenable) fix_hyper->init_hyper();
 
-  timer->barrier_start();
-  time_start = timer->get_wall(Timer::TOTAL);
-
   // perform initial minimization and bond list creation
 
   int nevent = 0;
@@ -200,6 +195,14 @@ void Hyper::command(int narg, char **arg)
   if (hyperenable) fix_hyper->build_bond_list(0);
   fix_event->restore_state_quench();
 
+  // reset stats and timers to skip HD setup
+
+  nbuild = ndanger = 0;
+  time_dynamics = time_quench = 0.0;
+
+  timer->barrier_start();
+  time_start = timer->get_wall(Timer::TOTAL);
+
   // main loop: dynamics, store state, quench, check event, restore state
 
   int ecount;
@@ -260,11 +263,12 @@ void Hyper::command(int narg, char **arg)
   double maxdrift = 0.0;
   double maxbondlen = 0.0;
   double fraczero = 1.0;
+  double fracneg = 1.0;
 
-  double nnewbond,avenboost,aveboostcoeff,maxboostcoeff,minboostcoeff;
-  double maxbondperatom,neighbondperbond,aveboostnow;
+  double nnewbond,avenbias,avebiascoeff,minbiascoeff,maxbiascoeff;
+  double maxbondperatom,neighbondperbond,avebiasnow;
   double tbondbuild,rmaxever,rmaxeverbig,allghost_toofar;
-  double lostbond,lostbondcoeff,biasoverlap,nonmatchbiascoeff;
+  double biasoverlap;
 
   if (hyperenable) {
     t_hyper = fix_hyper->query(1);
@@ -274,115 +278,70 @@ void Hyper::command(int narg, char **arg)
     maxdrift = fix_hyper->query(5);
     maxbondlen = fix_hyper->query(6);
     fraczero = fix_hyper->query(7);
+    fracneg = fix_hyper->query(8);
 
     if (hyperstyle == LOCAL) {
-      nnewbond = fix_hyper->query(8);
-      maxbondperatom = fix_hyper->query(9);
-      avenboost = fix_hyper->query(10);
-      aveboostcoeff = fix_hyper->query(11);
-      maxboostcoeff = fix_hyper->query(12);
-      minboostcoeff = fix_hyper->query(13);
-      neighbondperbond = fix_hyper->query(14);
-      aveboostnow = fix_hyper->query(15);
-      tbondbuild = fix_hyper->query(16);
-      rmaxever = fix_hyper->query(17);
-      rmaxeverbig = fix_hyper->query(18);
-      allghost_toofar = fix_hyper->query(19);
-      lostbond = fix_hyper->query(20);
-      lostbondcoeff = fix_hyper->query(21);
-      biasoverlap = fix_hyper->query(22);
-      nonmatchbiascoeff = fix_hyper->query(23);
+      nnewbond = fix_hyper->query(9);
+      maxbondperatom = fix_hyper->query(10);
+      avenbias = fix_hyper->query(11);
+      avebiascoeff = fix_hyper->query(12);
+      minbiascoeff = fix_hyper->query(13);
+      maxbiascoeff = fix_hyper->query(14);
+      neighbondperbond = fix_hyper->query(15);
+      avebiasnow = fix_hyper->query(16);
+      tbondbuild = fix_hyper->query(17);
+      rmaxever = fix_hyper->query(18);
+      rmaxeverbig = fix_hyper->query(19);
+      allghost_toofar = fix_hyper->query(20);
+      biasoverlap = fix_hyper->query(21);
     }
   }
 
   if (me == 0) {
-    if (screen) {
-      fprintf(screen,"Cummulative quantities for fix hyper:\n");
-      fprintf(screen,"  hyper time = %g\n",t_hyper);
-      fprintf(screen,"  time boost factor = %g\n",t_hyper/(nsteps*update->dt));
-      fprintf(screen,"  event timesteps = %d\n",nevent_running);
-      fprintf(screen,"  # of atoms in events = %d\n",nevent_atoms_running);
-      fprintf(screen,"Quantities for this hyper run:\n");
-      fprintf(screen,"  event timesteps = %d\n",nevent);
-      fprintf(screen,"  # of atoms in events = %d\n",nevent_atoms);
-      fprintf(screen,"  max length of any bond = %g\n",maxbondlen);
-      fprintf(screen,"  max drift distance of any atom = %g\n",maxdrift);
-      fprintf(screen,"  fraction of steps & bonds with zero bias = %g\n",
-              fraczero);
-      fprintf(screen,"Current quantities:\n");
-      fprintf(screen,"  ave bonds/atom = %g\n",avebonds);
-
-      if (hyperstyle == LOCAL) {
-        fprintf(screen,"Cummulative quantities specific to fix hyper/local:\n");
-        fprintf(screen,"  # of new bonds formed = %g\n",nnewbond);
-        fprintf(screen,"  max bonds/atom = %g\n",maxbondperatom);
-        fprintf(screen,"Quantities for this hyper run specific to "
-                "fix hyper/local:\n");
-        fprintf(screen,"  ave boosted bonds/step = %g\n",avenboost);
-        fprintf(screen,"  ave boost coeff of all bonds = %g\n",aveboostcoeff);
-        fprintf(screen,"  max boost coeff of any bond = %g\n",maxboostcoeff);
-        fprintf(screen,"  min boost coeff of any bond = %g\n",minboostcoeff);
-        fprintf(screen,"  max dist from my box of any "
-                "non-maxstrain bond ghost atom = %g\n",rmaxever);
-        fprintf(screen,"  max dist from my box of any bond ghost atom = %g\n",
-                rmaxeverbig);
-        fprintf(screen,"  count of bond ghost neighbors "
-                "not found on reneighbor steps = %g\n",allghost_toofar);
-        fprintf(screen,"  lost bond partners = %g\n",lostbond);
-        fprintf(screen,"  ave bias coeff for lost bond partners = %g\n",
-                lostbondcoeff);
-        fprintf(screen,"  bias overlaps = %g\n",biasoverlap);
-        fprintf(screen,"  non-matching bias coeffs = %g\n",nonmatchbiascoeff);
-        fprintf(screen,"  CPU time for bond builds = %g\n",tbondbuild);
-        fprintf(screen,"Current quantities specific to fix hyper/local:\n");
-        fprintf(screen,"  neighbor bonds/bond = %g\n",neighbondperbond);
-        fprintf(screen,"  ave boost coeff for all bonds = %g\n",aveboostnow);
-      }
-      fprintf(screen,"\n");
-    }
-
-    if (logfile) {
-      fprintf(logfile,"Cummulative quantities for fix hyper:\n");
-      fprintf(logfile,"  hyper time = %g\n",t_hyper);
-      fprintf(logfile,"  event timesteps = %d\n",nevent_running);
-      fprintf(logfile,"  # of atoms in events = %d\n",nevent_atoms_running);
-      fprintf(logfile,"Quantities for this hyper run:\n");
-      fprintf(logfile,"  event timesteps = %d\n",nevent);
-      fprintf(logfile,"  # of atoms in events = %d\n",nevent_atoms);
-      fprintf(logfile,"  max length of any bond = %g\n",maxbondlen);
-      fprintf(logfile,"  max drift distance of any atom = %g\n",maxdrift);
-      fprintf(logfile,"  fraction of steps & bonds with zero bias = %g\n",
-              fraczero);
-      fprintf(logfile,"Current quantities:\n");
-      fprintf(logfile,"  ave bonds/atom = %g\n",avebonds);
+    FILE *out;
+    for (int iout = 0; iout < 2; iout++) {
+      if (iout == 0) out = screen;
+      if (iout == 1) out = logfile;
+      if (!out) continue;
+      fprintf(out,"Cummulative quantities for fix hyper:\n");
+      fprintf(out,"  hyper time = %g\n",t_hyper);
+      fprintf(out,"  time boost factor = %g\n",t_hyper/(nsteps*update->dt));
+      fprintf(out,"  event timesteps = %d\n",nevent_running);
+      fprintf(out,"  # of atoms in events = %d\n",nevent_atoms_running);
+      fprintf(out,"Quantities for this hyper run:\n");
+      fprintf(out,"  event timesteps = %d\n",nevent);
+      fprintf(out,"  # of atoms in events = %d\n",nevent_atoms);
+      fprintf(out,"  max length of any bond = %g\n",maxbondlen);
+      fprintf(out,"  max drift distance of any atom = %g\n",maxdrift);
+      fprintf(out,"  fraction of biased bonds with zero bias = %g\n",fraczero);
+      fprintf(out,"  fraction of biased bonds with negative strain = %g\n",
+              fracneg);
+      fprintf(out,"Current quantities:\n");
+      fprintf(out,"  ave bonds/atom = %g\n",avebonds);
 
       if (hyperstyle == LOCAL) {
-        fprintf(logfile,"Cummulative quantities specific tofix hyper/local:\n");
-        fprintf(logfile,"  # of new bonds formed = %g\n",nnewbond);
-        fprintf(logfile,"  max bonds/atom = %g\n",maxbondperatom);
-        fprintf(logfile,"Quantities for this hyper run specific to "
+        fprintf(out,"Cummulative quantities specific to fix hyper/local:\n");
+        fprintf(out,"  # of new bonds formed = %g\n",nnewbond);
+        fprintf(out,"  max bonds/atom = %g\n",maxbondperatom);
+        fprintf(out,"Quantities for this hyper run specific to "
                 "fix hyper/local:\n");
-        fprintf(logfile,"  ave boosted bonds/step = %g\n",avenboost);
-        fprintf(logfile,"  ave boost coeff of all bonds = %g\n",aveboostcoeff);
-        fprintf(logfile,"  max boost coeff of any bond = %g\n",maxboostcoeff);
-        fprintf(logfile,"  min boost coeff of any bond = %g\n",minboostcoeff);
-        fprintf(logfile,"  max dist from my box of any "
+        fprintf(out,"  ave biased bonds/step = %g\n",avenbias);
+        fprintf(out,"  ave bias coeff of all bonds = %g\n",avebiascoeff);
+        fprintf(out,"  min bias coeff of any bond = %g\n",minbiascoeff);
+        fprintf(out,"  max bias coeff of any bond = %g\n",maxbiascoeff);
+        fprintf(out,"  max dist from my subbox of any "
                 "non-maxstrain bond ghost atom = %g\n",rmaxever);
-        fprintf(logfile,"  max dist from my box of any bond ghost atom = %g\n",
+        fprintf(out,"  max dist from my box of any bond ghost atom = %g\n",
                 rmaxeverbig);
-        fprintf(logfile,"  count of ghost bond neighbors "
+        fprintf(out,"  count of bond ghost neighbors "
                 "not found on reneighbor steps = %g\n",allghost_toofar);
-        fprintf(logfile,"  lost bond partners = %g\n",lostbond);
-        fprintf(logfile,"  ave bias coeff for lost bond partners = %g\n",
-                lostbondcoeff);
-        fprintf(logfile,"  bias overlaps = %g\n",biasoverlap);
-        fprintf(logfile,"  non-matching bias coeffs = %g\n",nonmatchbiascoeff);
-        fprintf(logfile,"  CPU time for bond builds = %g\n",tbondbuild);
-        fprintf(logfile,"Current quantities specific to fix hyper/local:\n");
-        fprintf(logfile,"  neighbor bonds/bond = %g\n",neighbondperbond);
-        fprintf(logfile,"  ave boost coeff for all bonds = %g\n",aveboostnow);
+        fprintf(out,"  bias overlaps = %g\n",biasoverlap);
+        fprintf(out,"  CPU time for bond builds = %g\n",tbondbuild);
+        fprintf(out,"Current quantities specific to fix hyper/local:\n");
+        fprintf(out,"  neighbor bonds/bond = %g\n",neighbondperbond);
+        fprintf(out,"  ave boost coeff for all bonds = %g\n",avebiasnow);
       }
-      fprintf(logfile,"\n");
+      fprintf(out,"\n");
     }
   }
 
diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp
index 3963379356c08902dabc6d6c0adec0d2f314e248..6b68c52dbbc25e15ed7a675d2f87daf0d512ca5d 100644
--- a/src/REPLICA/neb.cpp
+++ b/src/REPLICA/neb.cpp
@@ -146,12 +146,12 @@ void NEB::command(int narg, char **arg)
 
   if (strcmp(arg[5],"final") == 0) {
     if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
-    infile = arg[6];
-    readfile(infile,0);
+    inpfile = arg[6];
+    readfile(inpfile,0);
   } else if (strcmp(arg[5],"each") == 0) {
     if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEB command");
-    infile = arg[6];
-    readfile(infile,1);
+    inpfile = arg[6];
+    readfile(inpfile,1);
   } else if (strcmp(arg[5],"none") == 0) {
     if (narg != 6 && narg !=7) error->universe_all(FLERR,"Illegal NEB command");
   } else error->universe_all(FLERR,"Illegal NEB command");
diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h
index 9453c3c43bfb3786276094cf5dafc839daf8c0a1..f585a0c8a74994d4e1059be924dfedbc7b8a679f 100644
--- a/src/REPLICA/neb.h
+++ b/src/REPLICA/neb.h
@@ -47,7 +47,7 @@ class NEB : protected Pointers {
   double ftol;                 // force tolerance convergence criterion
   int n1steps, n2steps;        // number of steps in stage 1 and 2
   int nevery;                  // output interval
-  char *infile;                // name of file containing final state
+  char *inpfile;                // name of file containing final state
 
   class FixNEB *fneb;
   int numall;                  // per-replica dimension of array all
diff --git a/src/RIGID/compute_rigid_local.cpp b/src/RIGID/compute_rigid_local.cpp
index bcb778ab86b993c5391549b4040330bd424b651c..ec2799b6bccaeb9f0aa0266801c28cb2c4b448e2 100644
--- a/src/RIGID/compute_rigid_local.cpp
+++ b/src/RIGID/compute_rigid_local.cpp
@@ -40,8 +40,6 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS *lmp, int narg, char **arg) :
 
   local_flag = 1;
   nvalues = narg - 4;
-  if (nvalues == 1) size_local_cols = 0;
-  else size_local_cols = nvalues;
 
   int n = strlen(arg[3]) + 1;
   idrigid = new char[n];
@@ -88,7 +86,10 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS *lmp, int narg, char **arg) :
     else error->all(FLERR,"Invalid keyword in compute rigid/local command");
   }
 
-  ncount = nmax = 0;
+  if (nvalues == 1) size_local_cols = 0;
+  else size_local_cols = nvalues;
+
+ncount = nmax = 0;
   vlocal = NULL;
   alocal = NULL;
 }
diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp
index 8fa43b89ce0b4e6746d02d2b6355c9542147ed19..abb669bc026fc8c0285a6c630f484995f4087bf7 100644
--- a/src/RIGID/fix_rigid.cpp
+++ b/src/RIGID/fix_rigid.cpp
@@ -59,7 +59,7 @@ enum{ISO,ANISO,TRICLINIC};
 
 FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg), step_respa(NULL),
-  infile(NULL), nrigid(NULL), mol2body(NULL), body2mol(NULL),
+  inpfile(NULL), nrigid(NULL), mol2body(NULL), body2mol(NULL),
   body(NULL), displace(NULL), masstotal(NULL), xcm(NULL),
   vcm(NULL), fcm(NULL), inertia(NULL), ex_space(NULL),
   ey_space(NULL), ez_space(NULL), angmom(NULL), omega(NULL),
@@ -327,7 +327,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
   t_iter = 1;
   t_order = 3;
   p_chain = 10;
-  infile = NULL;
+  inpfile = NULL;
 
   pcouple = NONE;
   pstyle = ANISO;
@@ -546,12 +546,12 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       p_chain = force->inumeric(FLERR,arg[iarg+1]);
       iarg += 2;
 
-    } else if (strcmp(arg[iarg],"infile") == 0) {
+    } else if (strcmp(arg[iarg],"inpfile") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix rigid command");
-      delete [] infile;
+      delete [] inpfile;
       int n = strlen(arg[iarg+1]) + 1;
-      infile = new char[n];
-      strcpy(infile,arg[iarg+1]);
+      inpfile = new char[n];
+      strcpy(inpfile,arg[iarg+1]);
       restart_file = 1;
       reinitflag = 0;
       iarg += 2;
@@ -649,7 +649,7 @@ FixRigid::~FixRigid()
   atom->delete_callback(id,0);
 
   delete random;
-  delete [] infile;
+  delete [] inpfile;
   memory->destroy(mol2body);
   memory->destroy(body2mol);
 
@@ -760,14 +760,14 @@ void FixRigid::init()
   // setup rigid bodies, using current atom info. if reinitflag is not set,
   // do the initialization only once, b/c properties may not be re-computable
   // especially if overlapping particles.
-  //   do not do dynamic init if read body properties from infile.
-  // this is b/c the infile defines the static and dynamic properties and may
+  //   do not do dynamic init if read body properties from inpfile.
+  // this is b/c the inpfile defines the static and dynamic properties and may
   // not be computable if contain overlapping particles.
-  //   setup_bodies_static() reads infile itself
+  //   setup_bodies_static() reads inpfile itself
 
   if (reinitflag || !setupflag) {
     setup_bodies_static();
-    if (!infile) setup_bodies_dynamic();
+    if (!inpfile) setup_bodies_dynamic();
     setupflag = 1;
   }
 
@@ -1640,7 +1640,7 @@ void FixRigid::set_v()
    sets extended flags, masstotal, center-of-mass
    sets Cartesian and diagonalized inertia tensor
    sets body image flags
-   may read some properties from infile
+   may read some properties from inpfile
 ------------------------------------------------------------------------- */
 
 void FixRigid::setup_bodies_static()
@@ -1791,7 +1791,7 @@ void FixRigid::setup_bodies_static()
     xcm[ibody][2] = all[ibody][2]/masstotal[ibody];
   }
 
-  // set vcm, angmom = 0.0 in case infile is used
+  // set vcm, angmom = 0.0 in case inpfile is used
   // and doesn't overwrite all body's values
   // since setup_bodies_dynamic() will not be called
 
@@ -1810,7 +1810,7 @@ void FixRigid::setup_bodies_static()
   // inbody[i] = 0/1 if Ith rigid body is initialized by file
 
   int *inbody;
-  if (infile) {
+  if (inpfile) {
     memory->create(inbody,nbody,"rigid:inbody");
     for (ibody = 0; ibody < nbody; ibody++) inbody[ibody] = 0;
     readfile(0,masstotal,xcm,vcm,angmom,imagebody,inbody);
@@ -1918,7 +1918,7 @@ void FixRigid::setup_bodies_static()
 
   // overwrite Cartesian inertia tensor with file values
 
-  if (infile) readfile(1,NULL,all,NULL,NULL,NULL,inbody);
+  if (inpfile) readfile(1,NULL,all,NULL,NULL,NULL,inbody);
 
   // diagonalize inertia tensor for each body via Jacobi rotations
   // inertia = 3 eigenvalues = principal moments of inertia
@@ -2116,11 +2116,11 @@ void FixRigid::setup_bodies_static()
   MPI_Allreduce(sum[0],all[0],6*nbody,MPI_DOUBLE,MPI_SUM,world);
 
   // error check that re-computed moments of inertia match diagonalized ones
-  // do not do test for bodies with params read from infile
+  // do not do test for bodies with params read from inpfile
 
   double norm;
   for (ibody = 0; ibody < nbody; ibody++) {
-    if (infile && inbody[ibody]) continue;
+    if (inpfile && inbody[ibody]) continue;
     if (inertia[ibody][0] == 0.0) {
       if (fabs(all[ibody][0]) > TOLERANCE)
         error->all(FLERR,"Fix rigid: Bad principal moments");
@@ -2149,7 +2149,7 @@ void FixRigid::setup_bodies_static()
       error->all(FLERR,"Fix rigid: Bad principal moments");
   }
 
-  if (infile) memory->destroy(inbody);
+  if (inpfile) memory->destroy(inbody);
 }
 
 /* ----------------------------------------------------------------------
@@ -2268,10 +2268,10 @@ void FixRigid::readfile(int which, double *vec,
   char line[MAXLINE];
 
   if (me == 0) {
-    fp = fopen(infile,"r");
+    fp = fopen(inpfile,"r");
     if (fp == NULL) {
       char str[128];
-      snprintf(str,128,"Cannot open fix rigid infile %s",infile);
+      snprintf(str,128,"Cannot open fix rigid inpfile %s",inpfile);
       error->one(FLERR,str);
     }
 
@@ -2371,7 +2371,7 @@ void FixRigid::readfile(int which, double *vec,
 
 /* ----------------------------------------------------------------------
    write out restart info for mass, COM, inertia tensor, image flags to file
-   identical format to infile option, so info can be read in when restarting
+   identical format to inpfile option, so info can be read in when restarting
    only proc 0 writes list of global bodies to file
 ------------------------------------------------------------------------- */
 
diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h
index 507e4c755356686ae3b7a5f3f5c352e49932ae0f..d9d7b07ce8e84443e0fb5c13485d0bec518f834c 100644
--- a/src/RIGID/fix_rigid.h
+++ b/src/RIGID/fix_rigid.h
@@ -67,7 +67,7 @@ class FixRigid : public Fix {
   int triclinic;
   double MINUSPI,TWOPI;
 
-  char *infile;             // file to read rigid body attributes from
+  char *inpfile;             // file to read rigid body attributes from
   int rstyle;               // SINGLE,MOLECULE,GROUP
   int setupflag;            // 1 if body properties are setup, else 0
   int earlyflag;            // 1 if forces/torques computed at post_force()
@@ -261,7 +261,7 @@ E: Fix rigid: Bad principal moments
 The principal moments of inertia computed for a rigid body
 are not within the required tolerances.
 
-E: Cannot open fix rigid infile %s
+E: Cannot open fix rigid inpfile %s
 
 The specified file cannot be opened.  Check that the path and name are
 correct.
diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp
index fb185d7702bce23a75c448160876aa8406976a85..dedd71c98d1d0cc496a45193f4da07acb4b670d9 100644
--- a/src/RIGID/fix_rigid_small.cpp
+++ b/src/RIGID/fix_rigid_small.cpp
@@ -28,12 +28,14 @@
 #include "modify.h"
 #include "group.h"
 #include "comm.h"
+#include "neighbor.h"
 #include "force.h"
 #include "input.h"
 #include "output.h"
 #include "variable.h"
 #include "random_mars.h"
 #include "math_const.h"
+#include "hashlittle.h"
 #include "memory.h"
 #include "error.h"
 
@@ -43,6 +45,8 @@ using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
 
+#define RVOUS 1   // 0 for irregular, 1 for all2all
+
 #define MAXLINE 1024
 #define CHUNK 1024
 #define ATTRIBUTE_PERBODY 20
@@ -66,12 +70,11 @@ enum{FULL_BODY,INITIAL,FINAL,FORCE_TORQUE,VCM_ANGMOM,XCM_MASS,ITENSOR,DOF};
 
 FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg), step_respa(NULL),
-  infile(NULL), body(NULL), bodyown(NULL), bodytag(NULL), atom2body(NULL),
+  inpfile(NULL), body(NULL), bodyown(NULL), bodytag(NULL), atom2body(NULL),
   xcmimage(NULL), displace(NULL), eflags(NULL), orient(NULL), dorient(NULL),
   avec_ellipsoid(NULL), avec_line(NULL), avec_tri(NULL), counts(NULL),
   itensor(NULL), mass_body(NULL), langextra(NULL), random(NULL),
-  id_dilate(NULL), onemols(NULL), hash(NULL), bbox(NULL), ctr(NULL),
-  idclose(NULL), rsqclose(NULL)
+  id_dilate(NULL), onemols(NULL)
 {
   int i;
 
@@ -107,18 +110,18 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
   // parse args for rigid body specification
 
   int *mask = atom->mask;
-  tagint *bodyid = NULL;
+  tagint *bodyID = NULL;
   int nlocal = atom->nlocal;
 
   if (narg < 4) error->all(FLERR,"Illegal fix rigid/small command");
   if (strcmp(arg[3],"molecule") == 0) {
     if (atom->molecule_flag == 0)
       error->all(FLERR,"Fix rigid/small requires atom attribute molecule");
-    bodyid = atom->molecule;
+    bodyID = atom->molecule;
 
   } else if (strcmp(arg[3],"custom") == 0) {
     if (narg < 5) error->all(FLERR,"Illegal fix rigid/small command");
-      bodyid = new tagint[nlocal];
+      bodyID = new tagint[nlocal];
       customflag = 1;
 
       // determine whether atom-style variable or atom property is used.
@@ -126,9 +129,11 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
         int is_double=0;
         int custom_index = atom->find_custom(arg[4]+2,is_double);
         if (custom_index == -1)
-          error->all(FLERR,"Fix rigid/small custom requires previously defined property/atom");
+          error->all(FLERR,"Fix rigid/small custom requires "
+                     "previously defined property/atom");
         else if (is_double)
-          error->all(FLERR,"Fix rigid/small custom requires integer-valued property/atom");
+          error->all(FLERR,"Fix rigid/small custom requires "
+                     "integer-valued property/atom");
 
         int minval = INT_MAX;
         int *value = atom->ivector[custom_index];
@@ -139,15 +144,17 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
 
         for (i = 0; i < nlocal; i++)
           if (mask[i] & groupbit)
-            bodyid[i] = (tagint)(value[i] - minval + 1);
-          else bodyid[i] = 0;
+            bodyID[i] = (tagint)(value[i] - minval + 1);
+          else bodyID[i] = 0;
 
       } else if (strstr(arg[4],"v_") == arg[4]) {
         int ivariable = input->variable->find(arg[4]+2);
         if (ivariable < 0)
-          error->all(FLERR,"Variable name for fix rigid/small custom does not exist");
+          error->all(FLERR,"Variable name for fix rigid/small custom "
+                     "does not exist");
         if (input->variable->atomstyle(ivariable) == 0)
-          error->all(FLERR,"Fix rigid/small custom variable is no atom-style variable");
+          error->all(FLERR,"Fix rigid/small custom variable is not "
+                     "atom-style variable");
         double *value = new double[nlocal];
         input->variable->compute_atom(ivariable,0,value,1,0);
         int minval = INT_MAX;
@@ -158,8 +165,8 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
 
         for (i = 0; i < nlocal; i++)
           if (mask[i] & groupbit)
-            bodyid[i] = (tagint)((tagint)value[i] - minval + 1);
-          else bodyid[0] = 0;
+            bodyID[i] = (tagint)((tagint)value[i] - minval + 1);
+          else bodyID[0] = 0;
         delete[] value;
       } else error->all(FLERR,"Unsupported fix rigid custom property");
   } else error->all(FLERR,"Illegal fix rigid/small command");
@@ -167,10 +174,11 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
   if (atom->map_style == 0)
     error->all(FLERR,"Fix rigid/small requires an atom map, see atom_modify");
 
-  // maxmol = largest bodyid #
+  // maxmol = largest bodyID #
+
   maxmol = -1;
   for (i = 0; i < nlocal; i++)
-    if (mask[i] & groupbit) maxmol = MAX(maxmol,bodyid[i]);
+    if (mask[i] & groupbit) maxmol = MAX(maxmol,bodyID[i]);
 
   tagint itmp;
   MPI_Allreduce(&maxmol,&itmp,1,MPI_LMP_TAGINT,MPI_MAX,world);
@@ -183,7 +191,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
 
   int seed;
   langflag = 0;
-  infile = NULL;
+  inpfile = NULL;
   onemols = NULL;
   reinitflag = 1;
 
@@ -224,12 +232,12 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
       if (seed <= 0) error->all(FLERR,"Illegal fix rigid/small command");
       iarg += 5;
 
-    } else if (strcmp(arg[iarg],"infile") == 0) {
+    } else if (strcmp(arg[iarg],"inpfile") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix rigid/small command");
-      delete [] infile;
+      delete [] inpfile;
       int n = strlen(arg[iarg+1]) + 1;
-      infile = new char[n];
-      strcpy(infile,arg[iarg+1]);
+      inpfile = new char[n];
+      strcpy(inpfile,arg[iarg+1]);
       restart_file = 1;
       reinitflag = 0;
       iarg += 2;
@@ -400,8 +408,19 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
   // sets bodytag for owned atoms
   // body attributes are computed later by setup_bodies()
 
-  create_bodies(bodyid);
-  if (customflag) delete [] bodyid;
+  double time1 = MPI_Wtime();
+
+  create_bodies(bodyID);
+  if (customflag) delete [] bodyID;
+
+  double time2 = MPI_Wtime();
+
+  if (comm->me == 0) {
+    if (screen)
+      fprintf(screen,"  create bodies CPU = %g secs\n",time2-time1);
+    if (logfile)
+      fprintf(logfile,"  create bodies CPU = %g secs\n",time2-time1);
+  }
 
   // set nlocal_body and allocate bodies I own
 
@@ -527,7 +546,7 @@ FixRigidSmall::~FixRigidSmall()
   memory->destroy(dorient);
 
   delete random;
-  delete [] infile;
+  delete [] inpfile;
 
   memory->destroy(langextra);
   memory->destroy(mass_body);
@@ -569,7 +588,8 @@ void FixRigidSmall::init()
       if (rflag && (modify->fmask[i] & POST_FORCE) &&
           !modify->fix[i]->rigid_flag) {
         char str[128];
-        snprintf(str,128,"Fix %s alters forces after fix rigid",modify->fix[i]->id);
+        snprintf(str,128,"Fix %s alters forces after fix rigid",
+                 modify->fix[i]->id);
         error->warning(FLERR,str);
       }
     }
@@ -602,10 +622,10 @@ void FixRigidSmall::init()
    if reinitflag is not set, do the initialization only once, b/c properties
    may not be re-computable especially if overlapping particles or bodies
    are inserted from mol template.
-     do not do dynamic init if read body properties from infile. this
-   is b/c the infile defines the static and dynamic properties and may not
+     do not do dynamic init if read body properties from inpfile. this
+   is b/c the inpfile defines the static and dynamic properties and may not
    be computable if contain overlapping particles setup_bodies_static()
-   reads infile itself.
+   reads inpfile itself.
      cannot do this until now, b/c requires comm->setup() to have setup stencil
    invoke pre_neighbor() to insure body xcmimage flags are reset
      needed if Verlet::setup::pbc() has remapped/migrated atoms for 2nd run
@@ -618,7 +638,7 @@ void FixRigidSmall::setup_pre_neighbor()
     setup_bodies_static();
   else pre_neighbor();
 
-  if ((reinitflag || !setupflag) && !infile)
+  if ((reinitflag || !setupflag) && !inpfile)
     setup_bodies_dynamic();
 
   setupflag = 1;
@@ -633,6 +653,16 @@ void FixRigidSmall::setup(int vflag)
 {
   int i,n,ibody;
 
+  // error if maxextent > comm->cutghost
+  // NOTE: could just warn if an override flag set
+  // NOTE: this could fail for comm multi mode if user sets a wrong cutoff
+  //       for atom types in rigid bodies - need a more careful test
+  // must check here, not in init, b/c neigh/comm values set after fix init
+
+  double cutghost = MAX(neighbor->cutneighmax,comm->cutghostuser);
+  if (maxextent > cutghost)
+    error->all(FLERR,"Rigid body extent > ghost cutoff - use comm_modify cutoff");
+
   //check(1);
 
   // sum fcm, torque across all rigid bodies
@@ -1514,302 +1544,230 @@ void FixRigidSmall::set_v()
    set bodytag for all owned atoms
 ------------------------------------------------------------------------- */
 
-void FixRigidSmall::create_bodies(tagint *bodyid)
+void FixRigidSmall::create_bodies(tagint *bodyID)
 {
-  int i,m,n;
-  double unwrap[3];
+  int i,m;
 
-  // error check on image flags of atoms in rigid bodies
+  // allocate buffer for input to rendezvous comm
+  // ncount = # of my atoms in bodies
 
-  imageint *image = atom->image;
   int *mask = atom->mask;
   int nlocal = atom->nlocal;
 
-  int *periodicity = domain->periodicity;
-  int xbox,ybox,zbox;
-
-  int flag = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (!(mask[i] & groupbit)) continue;
-    xbox = (image[i] & IMGMASK) - IMGMAX;
-    ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
-    zbox = (image[i] >> IMG2BITS) - IMGMAX;
-    if ((xbox && !periodicity[0]) || (ybox && !periodicity[1]) ||
-        (zbox && !periodicity[2])) flag = 1;
-  }
-
-  int flagall;
-  MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
-  if (flagall) error->all(FLERR,"Fix rigid/small atom has non-zero image flag "
-                          "in a non-periodic dimension");
-
-  // allocate buffer for passing messages around ring of procs
-  // percount = max number of values to put in buffer for each of ncount
-
   int ncount = 0;
   for (i = 0; i < nlocal; i++)
     if (mask[i] & groupbit) ncount++;
 
-  int percount = 5;
-  double *buf;
-  memory->create(buf,ncount*percount,"rigid/small:buf");
-
-  // create map hash for storing unique body IDs of my atoms
-  // key = body ID
-  // value = index into per-body data structure
-  // n = # of entries in hash
-
-  hash = new std::map<tagint,int>();
-  hash->clear();
-
-  // setup hash
-  // key = body ID
-  // value = index into N-length data structure
-  // n = count of unique bodies my atoms are part of
-
-  n = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (!(mask[i] & groupbit)) continue;
-    if (hash->find(bodyid[i]) == hash->end()) (*hash)[bodyid[i]] = n++;
-  }
-
-  // bbox = bounding box of each rigid body my atoms are part of
-
-  memory->create(bbox,n,6,"rigid/small:bbox");
+  int *proclist;
+  memory->create(proclist,ncount,"rigid/small:proclist");
+  InRvous *inbuf = (InRvous *)
+    memory->smalloc(ncount*sizeof(InRvous),"rigid/small:inbuf");
 
-  for (i = 0; i < n; i++) {
-    bbox[i][0] = bbox[i][2] = bbox[i][4] = BIG;
-    bbox[i][1] = bbox[i][3] = bbox[i][5] = -BIG;
-  }
-
-  // pack my atoms into buffer as body ID, unwrapped coords
+  // setup buf to pass to rendezvous comm
+  // one BodyMsg datum for each constituent atom
+  // datum = me, local index of atom, atomID, bodyID, unwrapped coords
+  // owning proc for each datum = random hash of bodyID
 
   double **x = atom->x;
+  tagint *tag = atom->tag;
+  imageint *image = atom->image;
 
   m = 0;
   for (i = 0; i < nlocal; i++) {
     if (!(mask[i] & groupbit)) continue;
-    domain->unmap(x[i],image[i],unwrap);
-    buf[m++] = bodyid[i];
-    buf[m++] = unwrap[0];
-    buf[m++] = unwrap[1];
-    buf[m++] = unwrap[2];
+    proclist[m] = hashlittle(&bodyID[i],sizeof(tagint),0) % nprocs;
+    inbuf[m].me = me;
+    inbuf[m].ilocal = i;
+    inbuf[m].atomID = tag[i];
+    inbuf[m].bodyID = bodyID[i];
+    domain->unmap(x[i],image[i],inbuf[m].x);
+    m++;
   }
 
-  // pass buffer around ring of procs
-  // func = update bbox with atom coords from every proc
-  // when done, have full bbox for every rigid body my atoms are part of
+  // perform rendezvous operation
+  // each proc owns random subset of bodies
+  // receives all atoms in those bodies
+  // func = compute bbox of each body, find atom closest to geometric center
 
-  comm->ring(m,sizeof(double),buf,1,ring_bbox,NULL,(void *)this);
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,ncount,(char *) inbuf,sizeof(InRvous),
+                                 0,proclist,
+                                 rendezvous_body,0,buf,sizeof(OutRvous),
+                                 (void *) this);
+  OutRvous *outbuf = (OutRvous *) buf;
 
-  // check if any bbox is size 0.0, meaning rigid body is a single particle
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
 
-  flag = 0;
-  for (i = 0; i < n; i++)
-    if (bbox[i][0] == bbox[i][1] && bbox[i][2] == bbox[i][3] &&
-        bbox[i][4] == bbox[i][5]) flag = 1;
-  MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
-  if (flagall)
-    error->all(FLERR,"One or more rigid bodies are a single particle");
+  // set bodytag of all owned atoms based on outbuf info for constituent atoms
 
-  // ctr = center pt of each rigid body my atoms are part of
+  for (i = 0; i < nlocal; i++)
+    if (!(mask[i] & groupbit)) bodytag[i] = 0;
 
-  memory->create(ctr,n,6,"rigid/small:bbox");
+  for (m = 0; m < nreturn; m++)
+    bodytag[outbuf[m].ilocal] = outbuf[m].atomID;
 
-  for (i = 0; i < n; i++) {
-    ctr[i][0] = 0.5 * (bbox[i][0] + bbox[i][1]);
-    ctr[i][1] = 0.5 * (bbox[i][2] + bbox[i][3]);
-    ctr[i][2] = 0.5 * (bbox[i][4] + bbox[i][5]);
+  memory->sfree(outbuf);
+
+  // maxextent = max of rsqfar across all procs
+  // if defined, include molecule->maxextent
+
+  MPI_Allreduce(&rsqfar,&maxextent,1,MPI_DOUBLE,MPI_MAX,world);
+  maxextent = sqrt(maxextent);
+  if (onemols) {
+    for (int i = 0; i < nmol; i++)
+      maxextent = MAX(maxextent,onemols[i]->maxextent);
   }
+}
 
-  // idclose = ID of atom in body closest to center pt (smaller ID if tied)
-  // rsqclose = distance squared from idclose to center pt
+/* ----------------------------------------------------------------------
+   process rigid bodies assigned to me
+   buf = list of N BodyMsg datums
+------------------------------------------------------------------------- */
 
-  memory->create(idclose,n,"rigid/small:idclose");
-  memory->create(rsqclose,n,"rigid/small:rsqclose");
+int FixRigidSmall::rendezvous_body(int n, char *inbuf,
+                                   int &rflag, int *&proclist, char *&outbuf,
+                                   void *ptr)
+{
+  int i,m;
+  double delx,dely,delz,rsq;
+  int *iclose;
+  tagint *idclose;
+  double *x,*xown,*rsqclose;
+  double **bbox,**ctr;
 
-  for (i = 0; i < n; i++) rsqclose[i] = BIG;
+  FixRigidSmall *frsptr = (FixRigidSmall *) ptr;
+  Memory *memory = frsptr->memory;
+  Error *error = frsptr->error;
+  MPI_Comm world = frsptr->world;
 
-  // pack my atoms into buffer as body ID, atom ID, unwrapped coords
+  // setup hash
+  // use STL map instead of atom->map
+  //   b/c know nothing about body ID values specified by user
+  // ncount = number of bodies assigned to me
+  // key = body ID
+  // value = index into Ncount-length data structure
 
-  tagint *tag = atom->tag;
+  InRvous *in = (InRvous *) inbuf;
+  std::map<tagint,int> hash;
+  tagint id;
 
-  m = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (!(mask[i] & groupbit)) continue;
-    domain->unmap(x[i],image[i],unwrap);
-    buf[m++] = bodyid[i];
-    buf[m++] = ubuf(tag[i]).d;
-    buf[m++] = unwrap[0];
-    buf[m++] = unwrap[1];
-    buf[m++] = unwrap[2];
+  int ncount = 0;
+  for (i = 0; i < n; i++) {
+    id = in[i].bodyID;
+    if (hash.find(id) == hash.end()) hash[id] = ncount++;
   }
 
-  // pass buffer around ring of procs
-  // func = update idclose,rsqclose with atom IDs from every proc
-  // when done, have idclose for every rigid body my atoms are part of
+  // bbox = bounding box of each rigid body
 
-  comm->ring(m,sizeof(double),buf,2,ring_nearest,NULL,(void *)this);
+  memory->create(bbox,ncount,6,"rigid/small:bbox");
 
-  // set bodytag of all owned atoms, based on idclose
-  // find max value of rsqclose across all procs
-
-  double rsqmax = 0.0;
-  for (i = 0; i < nlocal; i++) {
-    bodytag[i] = 0;
-    if (!(mask[i] & groupbit)) continue;
-    m = hash->find(bodyid[i])->second;
-    bodytag[i] = idclose[m];
-    rsqmax = MAX(rsqmax,rsqclose[m]);
+  for (m = 0; m < ncount; m++) {
+    bbox[m][0] = bbox[m][2] = bbox[m][4] = BIG;
+    bbox[m][1] = bbox[m][3] = bbox[m][5] = -BIG;
   }
 
-  // pack my atoms into buffer as bodytag of owning atom, unwrapped coords
-
-  m = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (!(mask[i] & groupbit)) continue;
-    domain->unmap(x[i],image[i],unwrap);
-    buf[m++] = ubuf(bodytag[i]).d;
-    buf[m++] = unwrap[0];
-    buf[m++] = unwrap[1];
-    buf[m++] = unwrap[2];
+  for (i = 0; i < n; i++) {
+    m = hash.find(in[i].bodyID)->second;
+    x = in[i].x;
+    bbox[m][0] = MIN(bbox[m][0],x[0]);
+    bbox[m][1] = MAX(bbox[m][1],x[0]);
+    bbox[m][2] = MIN(bbox[m][2],x[1]);
+    bbox[m][3] = MAX(bbox[m][3],x[1]);
+    bbox[m][4] = MIN(bbox[m][4],x[2]);
+    bbox[m][5] = MAX(bbox[m][5],x[2]);
   }
 
-  // pass buffer around ring of procs
-  // func = update rsqfar for atoms belonging to bodies I own
-  // when done, have rsqfar for all atoms in bodies I own
+  // check if any bbox is size 0.0, meaning rigid body is a single particle
 
-  rsqfar = 0.0;
-  comm->ring(m,sizeof(double),buf,3,ring_farthest,NULL,(void *)this);
+  int flag = 0;
+  for (m = 0; m < ncount; m++)
+    if (bbox[m][0] == bbox[m][1] && bbox[m][2] == bbox[m][3] &&
+        bbox[m][4] == bbox[m][5]) flag = 1;
+  int flagall;
+  MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);    // sync here?
+  if (flagall)
+    error->all(FLERR,"One or more rigid bodies are a single particle");
 
-  // find maxextent of rsqfar across all procs
-  // if defined, include molecule->maxextent
+  // ctr = geometric center pt of each rigid body
 
-  MPI_Allreduce(&rsqfar,&maxextent,1,MPI_DOUBLE,MPI_MAX,world);
-  maxextent = sqrt(maxextent);
-  if (onemols) {
-    for (int i = 0; i < nmol; i++)
-      maxextent = MAX(maxextent,onemols[i]->maxextent);
-  }
+  memory->create(ctr,ncount,3,"rigid/small:bbox");
 
-  // clean up
+  for (m = 0; m < ncount; m++) {
+    ctr[m][0] = 0.5 * (bbox[m][0] + bbox[m][1]);
+    ctr[m][1] = 0.5 * (bbox[m][2] + bbox[m][3]);
+    ctr[m][2] = 0.5 * (bbox[m][4] + bbox[m][5]);
+  }
 
-  delete hash;
-  memory->destroy(buf);
-  memory->destroy(bbox);
-  memory->destroy(ctr);
-  memory->destroy(idclose);
-  memory->destroy(rsqclose);
-}
+  // idclose = atomID closest to center point of each body
 
-/* ----------------------------------------------------------------------
-   process rigid body atoms from another proc
-   update bounding box for rigid bodies my atoms are part of
-------------------------------------------------------------------------- */
+  memory->create(idclose,ncount,"rigid/small:idclose");
+  memory->create(iclose,ncount,"rigid/small:iclose");
+  memory->create(rsqclose,ncount,"rigid/small:rsqclose");
+  for (m = 0; m < ncount; m++) rsqclose[m] = BIG;
 
-void FixRigidSmall::ring_bbox(int n, char *cbuf, void *ptr)
-{
-  FixRigidSmall *frsptr = (FixRigidSmall *) ptr;
-  std::map<tagint,int> *hash = frsptr->hash;
-  double **bbox = frsptr->bbox;
+  for (i = 0; i < n; i++) {
+    m = hash.find(in[i].bodyID)->second;
+    x = in[i].x;
+    delx = x[0] - ctr[m][0];
+    dely = x[1] - ctr[m][1];
+    delz = x[2] - ctr[m][2];
+    rsq = delx*delx + dely*dely + delz*delz;
+    if (rsq <= rsqclose[m]) {
+      if (rsq == rsqclose[m] && in[i].atomID > idclose[m]) continue;
+      iclose[m] = i;
+      idclose[m] = in[i].atomID;
+      rsqclose[m] = rsq;
+    }
+  }
 
-  double *buf = (double *) cbuf;
-  int ndatums = n/4;
+  // compute rsqfar for all bodies I own
+  // set rsqfar back in caller
 
-  int j,imol;
-  double *x;
+  double rsqfar = 0.0;
 
-  int m = 0;
-  for (int i = 0; i < ndatums; i++, m += 4) {
-    imol = static_cast<int> (buf[m]);
-    if (hash->find(imol) != hash->end()) {
-      j = hash->find(imol)->second;
-      x = &buf[m+1];
-      bbox[j][0] = MIN(bbox[j][0],x[0]);
-      bbox[j][1] = MAX(bbox[j][1],x[0]);
-      bbox[j][2] = MIN(bbox[j][2],x[1]);
-      bbox[j][3] = MAX(bbox[j][3],x[1]);
-      bbox[j][4] = MIN(bbox[j][4],x[2]);
-      bbox[j][5] = MAX(bbox[j][5],x[2]);
-    }
+  for (int i = 0; i < n; i++) {
+    m = hash.find(in[i].bodyID)->second;
+    xown = in[iclose[m]].x;
+    x = in[i].x;
+    delx = x[0] - xown[0];
+    dely = x[1] - xown[1];
+    delz = x[2] - xown[2];
+    rsq = delx*delx + dely*dely + delz*delz;
+    rsqfar = MAX(rsqfar,rsq);
   }
-}
-
-/* ----------------------------------------------------------------------
-   process rigid body atoms from another proc
-   update nearest atom to body center for rigid bodies my atoms are part of
-------------------------------------------------------------------------- */
 
-void FixRigidSmall::ring_nearest(int n, char *cbuf, void *ptr)
-{
-  FixRigidSmall *frsptr = (FixRigidSmall *) ptr;
-  std::map<tagint,int> *hash = frsptr->hash;
-  double **ctr = frsptr->ctr;
-  tagint *idclose = frsptr->idclose;
-  double *rsqclose = frsptr->rsqclose;
+  frsptr->rsqfar = rsqfar;
 
-  double *buf = (double *) cbuf;
-  int ndatums = n/5;
+  // pass list of OutRvous datums back to comm->rendezvous
 
-  int j,imol;
-  tagint tag;
-  double delx,dely,delz,rsq;
-  double *x;
+  int nout = n;
+  memory->create(proclist,nout,"rigid/small:proclist");
+  OutRvous *out = (OutRvous *)
+    memory->smalloc(nout*sizeof(OutRvous),"rigid/small:out");
 
-  int m = 0;
-  for (int i = 0; i < ndatums; i++, m += 5) {
-    imol = static_cast<int> (buf[m]);
-    if (hash->find(imol) != hash->end()) {
-      j = hash->find(imol)->second;
-      tag = (tagint) ubuf(buf[m+1]).i;
-      x = &buf[m+2];
-      delx = x[0] - ctr[j][0];
-      dely = x[1] - ctr[j][1];
-      delz = x[2] - ctr[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      if (rsq <= rsqclose[j]) {
-        if (rsq == rsqclose[j] && tag > idclose[j]) continue;
-        idclose[j] = tag;
-        rsqclose[j] = rsq;
-      }
-    }
+  for (int i = 0; i < nout; i++) {
+    proclist[i] = in[i].me;
+    out[i].ilocal = in[i].ilocal;
+    m = hash.find(in[i].bodyID)->second;
+    out[i].atomID = idclose[m];
   }
-}
 
-/* ----------------------------------------------------------------------
-   process rigid body atoms from another proc
-   update rsqfar = distance from owning atom to other atom
-------------------------------------------------------------------------- */
+  outbuf = (char *) out;
 
-void FixRigidSmall::ring_farthest(int n, char *cbuf, void *ptr)
-{
-  FixRigidSmall *frsptr = (FixRigidSmall *) ptr;
-  double **x = frsptr->atom->x;
-  imageint *image = frsptr->atom->image;
-  int nlocal = frsptr->atom->nlocal;
+  // clean up
+  // Comm::rendezvous will delete proclist and out (outbuf)
 
-  double *buf = (double *) cbuf;
-  int ndatums = n/4;
+  memory->destroy(bbox);
+  memory->destroy(ctr);
+  memory->destroy(idclose);
+  memory->destroy(iclose);
+  memory->destroy(rsqclose);
 
-  int iowner;
-  tagint tag;
-  double delx,dely,delz,rsq;
-  double *xx;
-  double unwrap[3];
+  // flag = 2: new outbuf
 
-  int m = 0;
-  for (int i = 0; i < ndatums; i++, m += 4) {
-    tag = (tagint) ubuf(buf[m]).i;
-    iowner = frsptr->atom->map(tag);
-    if (iowner < 0 || iowner >= nlocal) continue;
-    frsptr->domain->unmap(x[iowner],image[iowner],unwrap);
-    xx = &buf[m+1];
-    delx = xx[0] - unwrap[0];
-    dely = xx[1] - unwrap[1];
-    delz = xx[2] - unwrap[2];
-    rsq = delx*delx + dely*dely + delz*delz;
-    frsptr->rsqfar = MAX(frsptr->rsqfar,rsq);
-  }
+  rflag = 2;
+  return nout;
 }
 
 /* ----------------------------------------------------------------------
@@ -1817,7 +1775,7 @@ void FixRigidSmall::ring_farthest(int n, char *cbuf, void *ptr)
    sets extended flags, masstotal, center-of-mass
    sets Cartesian and diagonalized inertia tensor
    sets body image flags
-   may read some properties from infile
+   may read some properties from inpfile
 ------------------------------------------------------------------------- */
 
 void FixRigidSmall::setup_bodies_static()
@@ -1974,7 +1932,7 @@ void FixRigidSmall::setup_bodies_static()
     xcm[2] /= body[ibody].mass;
   }
 
-  // set vcm, angmom = 0.0 in case infile is used
+  // set vcm, angmom = 0.0 in case inpfile is used
   // and doesn't overwrite all body's values
   // since setup_bodies_dynamic() will not be called
 
@@ -1997,7 +1955,7 @@ void FixRigidSmall::setup_bodies_static()
   // inbody[i] = 0/1 if Ith rigid body is initialized by file
 
   int *inbody;
-  if (infile) {
+  if (inpfile) {
     memory->create(inbody,nlocal_body,"rigid/small:inbody");
     for (ibody = 0; ibody < nlocal_body; ibody++) inbody[ibody] = 0;
     readfile(0,NULL,inbody);
@@ -2100,7 +2058,7 @@ void FixRigidSmall::setup_bodies_static()
 
   // overwrite Cartesian inertia tensor with file values
 
-  if (infile) readfile(1,itensor,inbody);
+  if (inpfile) readfile(1,itensor,inbody);
 
   // diagonalize inertia tensor for each body via Jacobi rotations
   // inertia = 3 eigenvalues = principal moments of inertia
@@ -2299,11 +2257,11 @@ void FixRigidSmall::setup_bodies_static()
   comm->reverse_comm_fix(this,6);
 
   // error check that re-computed moments of inertia match diagonalized ones
-  // do not do test for bodies with params read from infile
+  // do not do test for bodies with params read from inpfile
 
   double norm;
   for (ibody = 0; ibody < nlocal_body; ibody++) {
-    if (infile && inbody[ibody]) continue;
+    if (inpfile && inbody[ibody]) continue;
     inertia = body[ibody].inertia;
 
     if (inertia[0] == 0.0) {
@@ -2337,7 +2295,7 @@ void FixRigidSmall::setup_bodies_static()
   // clean up
 
   memory->destroy(itensor);
-  if (infile) memory->destroy(inbody);
+  if (inpfile) memory->destroy(inbody);
 }
 
 /* ----------------------------------------------------------------------
@@ -2472,17 +2430,17 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
 
   int nlocal = atom->nlocal;
 
-  hash = new std::map<tagint,int>();
+  std::map<tagint,int> hash;
   for (i = 0; i < nlocal; i++)
-    if (bodyown[i] >= 0) (*hash)[atom->molecule[i]] = bodyown[i];
+    if (bodyown[i] >= 0) hash[atom->molecule[i]] = bodyown[i];
 
   // open file and read header
 
   if (me == 0) {
-    fp = fopen(infile,"r");
+    fp = fopen(inpfile,"r");
     if (fp == NULL) {
       char str[128];
-      snprintf(str,128,"Cannot open fix rigid/small infile %s",infile);
+      snprintf(str,128,"Cannot open fix rigid/small inpfile %s",inpfile);
       error->one(FLERR,str);
     }
 
@@ -2533,11 +2491,11 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
       id = ATOTAGINT(values[0]);
       if (id <= 0 || id > maxmol)
         error->all(FLERR,"Invalid rigid body ID in fix rigid/small file");
-      if (hash->find(id) == hash->end()) {
+      if (hash.find(id) == hash.end()) {
         buf = next + 1;
         continue;
       }
-      m = (*hash)[id];
+      m = hash[id];
       inbody[m] = 1;
 
       if (which == 0) {
@@ -2576,12 +2534,11 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
 
   delete [] buffer;
   delete [] values;
-  delete hash;
 }
 
 /* ----------------------------------------------------------------------
    write out restart info for mass, COM, inertia tensor to file
-   identical format to infile option, so info can be read in when restarting
+   identical format to inpfile option, so info can be read in when restarting
    each proc contributes info for rigid bodies it owns
 ------------------------------------------------------------------------- */
 
diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h
index 3f6826f9bb140bf131d1ccb2a4c260fee6fd01e5..6dae443d1ca6bdf9a7c3d90f39160bfe8a376dac 100644
--- a/src/RIGID/fix_rigid_small.h
+++ b/src/RIGID/fix_rigid_small.h
@@ -22,9 +22,6 @@ FixStyle(rigid/small,FixRigidSmall)
 
 #include "fix.h"
 
-// replace this later
-#include <map>
-
 namespace LAMMPS_NS {
 
 class FixRigidSmall : public Fix {
@@ -77,7 +74,7 @@ class FixRigidSmall : public Fix {
   int triclinic;
   double MINUSPI,TWOPI;
 
-  char *infile;             // file to read rigid body attributes from
+  char *inpfile;             // file to read rigid body attributes from
   int setupflag;            // 1 if body properties are setup, else 0
   int earlyflag;            // 1 if forces/torques are computed at post_force()
   int commflag;             // various modes of forward/reverse comm
@@ -180,13 +177,21 @@ class FixRigidSmall : public Fix {
 
   // class data used by ring communication callbacks
 
-  std::map<tagint,int> *hash;
-  double **bbox;
-  double **ctr;
-  tagint *idclose;
-  double *rsqclose;
   double rsqfar;
 
+  struct InRvous {
+    int me,ilocal;
+    tagint atomID,bodyID;
+    double x[3];
+  };
+
+  struct OutRvous {
+    int ilocal;
+    tagint atomID;
+  };
+
+  // local methods
+
   void image_shift();
   void set_xv();
   void set_v();
@@ -199,11 +204,9 @@ class FixRigidSmall : public Fix {
   void grow_body();
   void reset_atom2body();
 
-  // callback functions for ring communication
+  // callback function for rendezvous communication
 
-  static void ring_bbox(int, char *, void *);
-  static void ring_nearest(int, char *, void *);
-  static void ring_farthest(int, char *, void *);
+  static int rendezvous_body(int, char *, int &, int *&, char *&, void *);
 
   // debug
 
@@ -315,7 +318,7 @@ E: Fix rigid: Bad principal moments
 The principal moments of inertia computed for a rigid body
 are not within the required tolerances.
 
-E: Cannot open fix rigid/small infile %s
+E: Cannot open fix rigid/small inpfile %s
 
 The specified file cannot be opened.  Check that the path and name are
 correct.
diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp
index e0d1bf132b49f6c14029bc052e23fc4cb6d0fa9e..23ced2d0e74b8bc3dcdfb2a8a0f4f088b991b5c3 100644
--- a/src/RIGID/fix_shake.cpp
+++ b/src/RIGID/fix_shake.cpp
@@ -39,6 +39,8 @@ using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
 
+#define RVOUS 1   // 0 for irregular, 1 for all2all
+
 #define BIG 1.0e20
 #define MASSDELTA 0.1
 
@@ -219,8 +221,19 @@ FixShake::FixShake(LAMMPS *lmp, int narg, char **arg) :
 
   // identify all SHAKE clusters
 
+  double time1 = MPI_Wtime();
+
   find_clusters();
 
+  double time2 = MPI_Wtime();
+
+  if (comm->me == 0) {
+    if (screen)
+      fprintf(screen,"  find clusters CPU = %g secs\n",time2-time1);
+    if (logfile)
+      fprintf(logfile,"  find clusters CPU = %g secs\n",time2-time1);
+  }
+
   // initialize list of SHAKE clusters to constrain
 
   maxlist = 0;
@@ -681,10 +694,9 @@ int FixShake::dof(int igroup)
 void FixShake::find_clusters()
 {
   int i,j,m,n,imol,iatom;
-  int flag,flag_all,nbuf,size;
+  int flag,flag_all;
   tagint tagprev;
   double massone;
-  tagint *buf;
 
   if (me == 0 && screen) {
     if (!rattle) fprintf(screen,"Finding SHAKE clusters ...\n");
@@ -707,13 +719,6 @@ void FixShake::find_clusters()
   int nlocal = atom->nlocal;
   int angles_allow = atom->avec->angles_allow;
 
-  // setup ring of procs
-
-  int next = me + 1;
-  int prev = me -1;
-  if (next == nprocs) next = 0;
-  if (prev < 0) prev = nprocs - 1;
-
   // -----------------------------------------------------
   // allocate arrays for self (1d) and bond partners (2d)
   // max = max # of bond partners for owned atoms = 2nd dim of partner arrays
@@ -755,6 +760,10 @@ void FixShake::find_clusters()
   memory->create(partner_shake,nlocal,max,"shake:partner_shake");
   memory->create(partner_nshake,nlocal,max,"shake:partner_nshake");
 
+  // setup atomIDs and procowner vectors in rendezvous decomposition
+
+  atom_owners();
+
   // -----------------------------------------------------
   // set npartner and partner_tag from special arrays
   // -----------------------------------------------------
@@ -778,86 +787,13 @@ void FixShake::find_clusters()
   }
 
   // -----------------------------------------------------
-  // set partner_mask, partner_type, partner_massflag, partner_bondtype
-  //   for bonded partners
-  // requires communication for off-proc partners
+  // set partner_mask, partner_type, partner_massflag,
+  //   partner_bondtype for all my bonded partners
+  // requires rendezvous communication for off-proc partners
   // -----------------------------------------------------
 
-  // fill in mask, type, massflag, bondtype if own bond partner
-  // info to store in buf for each off-proc bond = nper = 6
-  //   2 atoms IDs in bond, space for mask, type, massflag, bondtype
-  // nbufmax = largest buffer needed to hold info from any proc
-
-  int nper = 6;
-
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) {
-    for (j = 0; j < npartner[i]; j++) {
-      partner_mask[i][j] = 0;
-      partner_type[i][j] = 0;
-      partner_massflag[i][j] = 0;
-      partner_bondtype[i][j] = 0;
-
-      m = atom->map(partner_tag[i][j]);
-      if (m >= 0 && m < nlocal) {
-        partner_mask[i][j] = mask[m];
-        partner_type[i][j] = type[m];
-        if (nmass) {
-          if (rmass) massone = rmass[m];
-          else massone = mass[type[m]];
-          partner_massflag[i][j] = masscheck(massone);
-        }
-        n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
-        if (n) partner_bondtype[i][j] = n;
-        else {
-          n = bondtype_findset(m,tag[i],partner_tag[i][j],0);
-          if (n) partner_bondtype[i][j] = n;
-        }
-      } else nbuf += nper;
-    }
-  }
-
-  memory->create(buf,nbuf,"shake:buf");
-
-  // fill buffer with info
-
-  size = 0;
-  for (i = 0; i < nlocal; i++) {
-    for (j = 0; j < npartner[i]; j++) {
-      m = atom->map(partner_tag[i][j]);
-      if (m < 0 || m >= nlocal) {
-        buf[size] = tag[i];
-        buf[size+1] = partner_tag[i][j];
-        buf[size+2] = 0;
-        buf[size+3] = 0;
-        buf[size+4] = 0;
-        n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
-        if (n) buf[size+5] = n;
-        else buf[size+5] = 0;
-        size += nper;
-      }
-    }
-  }
-
-  // cycle buffer around ring of procs back to self
-
-  comm->ring(size,sizeof(tagint),buf,1,ring_bonds,buf,(void *)this);
-
-  // store partner info returned to me
-
-  m = 0;
-  while (m < size) {
-    i = atom->map(buf[m]);
-    for (j = 0; j < npartner[i]; j++)
-      if (buf[m+1] == partner_tag[i][j]) break;
-    partner_mask[i][j] = buf[m+2];
-    partner_type[i][j] = buf[m+3];
-    partner_massflag[i][j] = buf[m+4];
-    partner_bondtype[i][j] = buf[m+5];
-    m += nper;
-  }
-
-  memory->destroy(buf);
+  partner_info(npartner,partner_tag,partner_mask,partner_type,
+               partner_massflag,partner_bondtype);
 
   // error check for unfilled partner info
   // if partner_type not set, is an error
@@ -868,12 +804,13 @@ void FixShake::find_clusters()
   // else it's an error
 
   flag = 0;
+  int flag2 = 0;
   for (i = 0; i < nlocal; i++)
     for (j = 0; j < npartner[i]; j++) {
-      if (partner_type[i][j] == 0) flag = 1;
+      if (partner_type[i][j] == 0) flag++;
       if (!(mask[i] & groupbit)) continue;
       if (!(partner_mask[i][j] & groupbit)) continue;
-      if (partner_bondtype[i][j] == 0) flag = 1;
+      if (partner_bondtype[i][j] == 0) flag2++;
     }
 
   MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
@@ -931,55 +868,10 @@ void FixShake::find_clusters()
 
   // -----------------------------------------------------
   // set partner_nshake for bonded partners
-  // requires communication for off-proc partners
+  // requires rendezvous communication for off-proc partners
   // -----------------------------------------------------
 
-  // fill in partner_nshake if own bond partner
-  // info to store in buf for each off-proc bond =
-  //   2 atoms IDs in bond, space for nshake value
-  // nbufmax = largest buffer needed to hold info from any proc
-
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) {
-    for (j = 0; j < npartner[i]; j++) {
-      m = atom->map(partner_tag[i][j]);
-      if (m >= 0 && m < nlocal) partner_nshake[i][j] = nshake[m];
-      else nbuf += 3;
-    }
-  }
-
-  memory->create(buf,nbuf,"shake:buf");
-
-  // fill buffer with info
-
-  size = 0;
-  for (i = 0; i < nlocal; i++) {
-    for (j = 0; j < npartner[i]; j++) {
-      m = atom->map(partner_tag[i][j]);
-      if (m < 0 || m >= nlocal) {
-        buf[size] = tag[i];
-        buf[size+1] = partner_tag[i][j];
-        size += 3;
-      }
-    }
-  }
-
-  // cycle buffer around ring of procs back to self
-
-  comm->ring(size,sizeof(tagint),buf,2,ring_nshake,buf,(void *)this);
-
-  // store partner info returned to me
-
-  m = 0;
-  while (m < size) {
-    i = atom->map(buf[m]);
-    for (j = 0; j < npartner[i]; j++)
-      if (buf[m+1] == partner_tag[i][j]) break;
-    partner_nshake[i][j] = buf[m+2];
-    m += 3;
-  }
-
-  memory->destroy(buf);
+  nshake_info(npartner,partner_tag,partner_nshake);
 
   // -----------------------------------------------------
   // error checks
@@ -988,7 +880,7 @@ void FixShake::find_clusters()
   // -----------------------------------------------------
 
   flag = 0;
-  for (i = 0; i < nlocal; i++) if (nshake[i] > 3) flag = 1;
+  for (i = 0; i < nlocal; i++) if (nshake[i] > 3) flag++;
   MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
   if (flag_all) error->all(FLERR,"Shake cluster of more than 4 atoms");
 
@@ -996,7 +888,7 @@ void FixShake::find_clusters()
   for (i = 0; i < nlocal; i++) {
     if (nshake[i] <= 1) continue;
     for (j = 0; j < npartner[i]; j++)
-      if (partner_shake[i][j] && partner_nshake[i][j] > 1) flag = 1;
+      if (partner_shake[i][j] && partner_nshake[i][j] > 1) flag++;
   }
   MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
   if (flag_all) error->all(FLERR,"Shake clusters are connected");
@@ -1064,68 +956,18 @@ void FixShake::find_clusters()
 
   // -----------------------------------------------------
   // set shake_flag,shake_atom,shake_type for non-central atoms
-  // requires communication for off-proc atoms
+  // requires rendezvous communication for off-proc atoms
   // -----------------------------------------------------
 
-  // fill in shake arrays for each bond partner I own
-  // info to store in buf for each off-proc bond =
-  //   all values from shake_flag, shake_atom, shake_type
-  // nbufmax = largest buffer needed to hold info from any proc
-
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (shake_flag[i] == 0) continue;
-    for (j = 0; j < npartner[i]; j++) {
-      if (partner_shake[i][j] == 0) continue;
-      m = atom->map(partner_tag[i][j]);
-      if (m >= 0 && m < nlocal) {
-        shake_flag[m] = shake_flag[i];
-        shake_atom[m][0] = shake_atom[i][0];
-        shake_atom[m][1] = shake_atom[i][1];
-        shake_atom[m][2] = shake_atom[i][2];
-        shake_atom[m][3] = shake_atom[i][3];
-        shake_type[m][0] = shake_type[i][0];
-        shake_type[m][1] = shake_type[i][1];
-        shake_type[m][2] = shake_type[i][2];
-      } else nbuf += 9;
-    }
-  }
-
-  memory->create(buf,nbuf,"shake:buf");
-
-  // fill buffer with info
-
-  size = 0;
-  for (i = 0; i < nlocal; i++) {
-    if (shake_flag[i] == 0) continue;
-    for (j = 0; j < npartner[i]; j++) {
-      if (partner_shake[i][j] == 0) continue;
-      m = atom->map(partner_tag[i][j]);
-      if (m < 0 || m >= nlocal) {
-        buf[size] = partner_tag[i][j];
-        buf[size+1] = shake_flag[i];
-        buf[size+2] = shake_atom[i][0];
-        buf[size+3] = shake_atom[i][1];
-        buf[size+4] = shake_atom[i][2];
-        buf[size+5] = shake_atom[i][3];
-        buf[size+6] = shake_type[i][0];
-        buf[size+7] = shake_type[i][1];
-        buf[size+8] = shake_type[i][2];
-        size += 9;
-      }
-    }
-  }
-
-  // cycle buffer around ring of procs back to self
-
-  comm->ring(size,sizeof(tagint),buf,3,ring_shake,NULL,(void *)this);
-
-  memory->destroy(buf);
+  shake_info(npartner,partner_tag,partner_shake);
 
   // -----------------------------------------------------
   // free local memory
   // -----------------------------------------------------
 
+  memory->destroy(atomIDs);
+  memory->destroy(procowner);
+
   memory->destroy(npartner);
   memory->destroy(nshake);
   memory->destroy(partner_tag);
@@ -1199,98 +1041,548 @@ void FixShake::find_clusters()
 }
 
 /* ----------------------------------------------------------------------
-   when receive buffer, scan bond partner IDs for atoms I own
-   if I own partner:
-     fill in mask and type and massflag
-     search for bond with 1st atom and fill in bondtype
+   setup atomIDs and procowner
 ------------------------------------------------------------------------- */
 
-void FixShake::ring_bonds(int ndatum, char *cbuf, void *ptr)
+void FixShake::atom_owners()
 {
-  FixShake *fsptr = (FixShake *)ptr;
-  Atom *atom = fsptr->atom;
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+
+  int *proclist;
+  memory->create(proclist,nlocal,"shake:proclist");
+  IDRvous *idbuf = (IDRvous *)
+    memory->smalloc((bigint) nlocal*sizeof(IDRvous),"shake:idbuf");
+
+  // setup input buf to rendezvous comm
+  // input datums = pairs of bonded atoms
+  // owning proc for each datum = random hash of atomID
+  // one datum for each owned atom: datum = owning proc, atomID
+
+  for (int i = 0; i < nlocal; i++) {
+    proclist[i] = tag[i] % nprocs;
+    idbuf[i].me = me;
+    idbuf[i].atomID = tag[i];
+  }
+
+  // perform rendezvous operation
+  // each proc assigned every 1/Pth atom
+
+  char *buf;
+  comm->rendezvous(RVOUS,nlocal,(char *) idbuf,sizeof(IDRvous),
+                   0,proclist,
+                   rendezvous_ids,0,buf,0,(void *) this);
+
+  memory->destroy(proclist);
+  memory->sfree(idbuf);
+}
+
+/* ----------------------------------------------------------------------
+   setup partner_mask, partner_type, partner_massflag, partner_bondtype
+------------------------------------------------------------------------- */
+
+void FixShake::partner_info(int *npartner, tagint **partner_tag,
+                            int **partner_mask, int **partner_type,
+                            int **partner_massflag, int **partner_bondtype)
+{
+  int i,j,m,n;
+  int nlocal = atom->nlocal;
+
+  // nsend = # of my datums to send
+  // one datum for every off-processor partner
+
+  int nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < npartner[i]; j++) {
+      m = atom->map(partner_tag[i][j]);
+      if (m < 0 || m >= nlocal) nsend++;
+    }
+  }
+
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  PartnerInfo *inbuf = (PartnerInfo *)
+    memory->smalloc((bigint) nsend*sizeof(PartnerInfo),"special:inbuf");
+
+  // set values in 4 partner arrays for all partner atoms I own
+  // also setup input buf to rendezvous comm
+  // input datums = pair of bonded atoms where I do not own partner
+  // owning proc for each datum = partner_tag % nprocs
+  // datum: atomID = partner_tag (off-proc), partnerID = tag (on-proc)
+  //        4 values for my owned atom
+
   double *rmass = atom->rmass;
   double *mass = atom->mass;
-  int *mask = atom->mask;
   int *type = atom->type;
-  int nlocal = atom->nlocal;
-  int nmass = fsptr->nmass;
+  int *mask = atom->mask;
+  tagint *tag = atom->tag;
 
-  tagint *buf = (tagint *) cbuf;
-  int m,n;
   double massone;
 
-  for (int i = 0; i < ndatum; i += 6) {
-    m = atom->map(buf[i+1]);
-    if (m >= 0 && m < nlocal) {
-      buf[i+2] = mask[m];
-      buf[i+3] = type[m];
-      if (nmass) {
-        if (rmass) massone = rmass[m];
-        else massone = mass[type[m]];
-        buf[i+4] = fsptr->masscheck(massone);
-      }
-      if (buf[i+5] == 0) {
-        n = fsptr->bondtype_findset(m,buf[i],buf[i+1],0);
-        if (n) buf[i+5] = n;
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < npartner[i]; j++) {
+      partner_mask[i][j] = 0;
+      partner_type[i][j] = 0;
+      partner_massflag[i][j] = 0;
+      partner_bondtype[i][j] = 0;
+
+      m = atom->map(partner_tag[i][j]);
+
+      if (m >= 0 && m < nlocal) {
+        partner_mask[i][j] = mask[m];
+        partner_type[i][j] = type[m];
+        if (nmass) {
+          if (rmass) massone = rmass[m];
+          else massone = mass[type[m]];
+          partner_massflag[i][j] = masscheck(massone);
+        }
+        n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
+        if (n) partner_bondtype[i][j] = n;
+        else {
+          n = bondtype_findset(m,tag[i],partner_tag[i][j],0);
+          if (n) partner_bondtype[i][j] = n;
+        }
+
+      } else {
+        proclist[nsend] = partner_tag[i][j] % nprocs;
+        inbuf[nsend].atomID = partner_tag[i][j];
+        inbuf[nsend].partnerID = tag[i];
+        inbuf[nsend].mask = mask[i];
+        inbuf[nsend].type = type[i];
+        if (nmass) {
+          if (rmass) massone = rmass[i];
+          else massone = mass[type[i]];
+          inbuf[nsend].massflag = masscheck(massone);
+        } else inbuf[nsend].massflag = 0;
+
+        // my atom may own bond, in which case set partner_bondtype
+        // else receiver of this datum will own the bond and return the value
+
+        n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
+        if (n) {
+          partner_bondtype[i][j] = n;
+          inbuf[nsend].bondtype = n;
+        } else inbuf[nsend].bondtype = 0;
+
+        nsend++;
       }
     }
   }
+
+  // perform rendezvous operation
+  // each proc owns random subset of atoms
+  // receives all data needed to populate un-owned partner 4 values
+
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PartnerInfo),
+                                 0,proclist,
+                                 rendezvous_partners_info,
+                                 0,buf,sizeof(PartnerInfo),
+                                 (void *) this);
+  PartnerInfo *outbuf = (PartnerInfo *) buf;
+
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
+
+  // set partner 4 values for un-onwed partners based on output info
+  // outbuf.atomID = my owned atom, outbuf.partnerID = partner the info is for
+
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    for (j = 0; j < npartner[i]; j++)
+      if (partner_tag[i][j] == outbuf[m].partnerID) break;
+    partner_mask[i][j] = outbuf[m].mask;
+    partner_type[i][j] = outbuf[m].type;
+    partner_massflag[i][j] = outbuf[m].massflag;
+
+    // only set partner_bondtype if my atom did not set it
+    //   when setting up rendezvous
+    // if this proc set it, then sender of this datum set outbuf.bondtype = 0
+
+    if (partner_bondtype[i][j] == 0)
+      partner_bondtype[i][j] = outbuf[m].bondtype;
+  }
+
+  memory->sfree(outbuf);
 }
 
 /* ----------------------------------------------------------------------
-   when receive buffer, scan bond partner IDs for atoms I own
-   if I own partner, fill in nshake value
+   setup partner_nshake
 ------------------------------------------------------------------------- */
 
-void FixShake::ring_nshake(int ndatum, char *cbuf, void *ptr)
+void FixShake::nshake_info(int *npartner, tagint **partner_tag,
+                           int **partner_nshake)
 {
-  FixShake *fsptr = (FixShake *)ptr;
-  Atom *atom = fsptr->atom;
+  int i,j,m;
   int nlocal = atom->nlocal;
 
-  int *nshake = fsptr->nshake;
+  // nsend = # of my datums to send
+  // one datum for every off-processor partner
 
-  tagint *buf = (tagint *) cbuf;
-  int m;
+  int nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < npartner[i]; j++) {
+      m = atom->map(partner_tag[i][j]);
+      if (m < 0 || m >= nlocal) nsend++;
+    }
+  }
+
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  NShakeInfo *inbuf = (NShakeInfo *)
+    memory->smalloc((bigint) nsend*sizeof(NShakeInfo),"special:inbuf");
+
+  // set partner_nshake for all partner atoms I own
+  // also setup input buf to rendezvous comm
+  // input datums = pair of bonded atoms where I do not own partner
+  // owning proc for each datum = partner_tag % nprocs
+  // datum: atomID = partner_tag (off-proc), partnerID = tag (on-proc)
+  //        nshake value for my owned atom
+
+  tagint *tag = atom->tag;
+
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < npartner[i]; j++) {
+      partner_nshake[i][j] = 0;
+      m = atom->map(partner_tag[i][j]);
+      if (m >= 0 && m < nlocal) {
+        partner_nshake[i][j] = nshake[m];
+      } else {
+        proclist[nsend] = partner_tag[i][j] % nprocs;
+        inbuf[nsend].atomID = partner_tag[i][j];
+        inbuf[nsend].partnerID = tag[i];
+        inbuf[nsend].nshake = nshake[i];
+        nsend++;
+      }
+    }
+  }
 
-  for (int i = 0; i < ndatum; i += 3) {
-    m = atom->map(buf[i+1]);
-    if (m >= 0 && m < nlocal) buf[i+2] = nshake[m];
+  // perform rendezvous operation
+  // each proc owns random subset of atoms
+  // receives all data needed to populate un-owned partner nshake
+
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(NShakeInfo),
+                                 0,proclist,
+                                 rendezvous_nshake,0,buf,sizeof(NShakeInfo),
+                                 (void *) this);
+  NShakeInfo *outbuf = (NShakeInfo *) buf;
+
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
+
+  // set partner nshake for un-onwed partners based on output info
+  // outbuf.atomID = my owned atom, outbuf.partnerID = partner the info is for
+
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    for (j = 0; j < npartner[i]; j++)
+      if (partner_tag[i][j] == outbuf[m].partnerID) break;
+    partner_nshake[i][j] = outbuf[m].nshake;
   }
+
+  memory->sfree(outbuf);
 }
 
 /* ----------------------------------------------------------------------
-   when receive buffer, scan bond partner IDs for atoms I own
-   if I own partner, fill in nshake value
+   setup shake_flag, shake_atom, shake_type
 ------------------------------------------------------------------------- */
 
-void FixShake::ring_shake(int ndatum, char *cbuf, void *ptr)
+void FixShake::shake_info(int *npartner, tagint **partner_tag,
+                          int **partner_shake)
 {
-  FixShake *fsptr = (FixShake *)ptr;
-  Atom *atom = fsptr->atom;
+  int i,j,m;
   int nlocal = atom->nlocal;
 
-  int *shake_flag = fsptr->shake_flag;
-  tagint **shake_atom = fsptr->shake_atom;
-  int **shake_type = fsptr->shake_type;
+  // nsend = # of my datums to send
+  // one datum for every off-processor partner
 
-  tagint *buf = (tagint *) cbuf;
-  int m;
+  int nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < npartner[i]; j++) {
+      m = atom->map(partner_tag[i][j]);
+      if (m < 0 || m >= nlocal) nsend++;
+    }
+  }
+
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  ShakeInfo *inbuf = (ShakeInfo *)
+    memory->smalloc((bigint) nsend*sizeof(ShakeInfo),"special:inbuf");
+
+  // set 3 shake arrays for all partner atoms I own
+  // also setup input buf to rendezvous comm
+  // input datums = partner atom where I do not own partner
+  // owning proc for each datum = partner_tag % nprocs
+  // datum: atomID = partner_tag (off-proc)
+  //        values in 3 shake arrays
 
-  for (int i = 0; i < ndatum; i += 9) {
-    m = atom->map(buf[i]);
-    if (m >= 0 && m < nlocal) {
-      shake_flag[m] = buf[i+1];
-      shake_atom[m][0] = buf[i+2];
-      shake_atom[m][1] = buf[i+3];
-      shake_atom[m][2] = buf[i+4];
-      shake_atom[m][3] = buf[i+5];
-      shake_type[m][0] = buf[i+6];
-      shake_type[m][1] = buf[i+7];
-      shake_type[m][2] = buf[i+8];
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    if (shake_flag[i] == 0) continue;
+    for (j = 0; j < npartner[i]; j++) {
+      if (partner_shake[i][j] == 0) continue;
+      m = atom->map(partner_tag[i][j]);
+
+      if (m >= 0 && m < nlocal) {
+        shake_flag[m] = shake_flag[i];
+        shake_atom[m][0] = shake_atom[i][0];
+        shake_atom[m][1] = shake_atom[i][1];
+        shake_atom[m][2] = shake_atom[i][2];
+        shake_atom[m][3] = shake_atom[i][3];
+        shake_type[m][0] = shake_type[i][0];
+        shake_type[m][1] = shake_type[i][1];
+        shake_type[m][2] = shake_type[i][2];
+
+      } else {
+        proclist[nsend] = partner_tag[i][j] % nprocs;
+        inbuf[nsend].atomID = partner_tag[i][j];
+        inbuf[nsend].shake_flag = shake_flag[i];
+        inbuf[nsend].shake_atom[0] = shake_atom[i][0];
+        inbuf[nsend].shake_atom[1] = shake_atom[i][1];
+        inbuf[nsend].shake_atom[2] = shake_atom[i][2];
+        inbuf[nsend].shake_atom[3] = shake_atom[i][3];
+        inbuf[nsend].shake_type[0] = shake_type[i][0];
+        inbuf[nsend].shake_type[1] = shake_type[i][1];
+        inbuf[nsend].shake_type[2] = shake_type[i][2];
+        nsend++;
+      }
     }
   }
+
+  // perform rendezvous operation
+  // each proc owns random subset of atoms
+  // receives all data needed to populate un-owned shake info
+
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(ShakeInfo),
+                                 0,proclist,
+                                 rendezvous_shake,0,buf,sizeof(ShakeInfo),
+                                 (void *) this);
+  ShakeInfo *outbuf = (ShakeInfo *) buf;
+
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
+
+  // set shake info for un-onwed partners based on output info
+
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    shake_flag[i] = outbuf[m].shake_flag;
+    shake_atom[i][0] = outbuf[m].shake_atom[0];
+    shake_atom[i][1] = outbuf[m].shake_atom[1];
+    shake_atom[i][2] = outbuf[m].shake_atom[2];
+    shake_atom[i][3] = outbuf[m].shake_atom[3];
+    shake_type[i][0] = outbuf[m].shake_type[0];
+    shake_type[i][1] = outbuf[m].shake_type[1];
+    shake_type[i][2] = outbuf[m].shake_type[2];
+  }
+
+  memory->sfree(outbuf);
+}
+
+/* ----------------------------------------------------------------------
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N IDRvous datums
+   no outbuf
+------------------------------------------------------------------------- */
+
+int FixShake::rendezvous_ids(int n, char *inbuf,
+                             int &flag, int *& /*proclist*/, char *& /*outbuf*/,
+                             void *ptr)
+{
+  FixShake *fsptr = (FixShake *) ptr;
+  Memory *memory = fsptr->memory;
+
+  tagint *atomIDs;
+  int *procowner;
+
+  memory->create(atomIDs,n,"special:atomIDs");
+  memory->create(procowner,n,"special:procowner");
+
+  IDRvous *in = (IDRvous *) inbuf;
+
+  for (int i = 0; i < n; i++) {
+    atomIDs[i] = in[i].atomID;
+    procowner[i] = in[i].me;
+  }
+
+  // store rendezvous data in FixShake class
+
+  fsptr->nrvous = n;
+  fsptr->atomIDs = atomIDs;
+  fsptr->procowner = procowner;
+
+  // flag = 0: no second comm needed in rendezvous
+
+  flag = 0;
+  return 0;
+}
+
+/* ----------------------------------------------------------------------
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N PairRvous datums
+   outbuf = same list of N PairRvous datums, routed to different procs
+------------------------------------------------------------------------- */
+
+int FixShake::rendezvous_partners_info(int n, char *inbuf,
+                                       int &flag, int *&proclist, char *&outbuf,
+                                       void *ptr)
+{
+  int i,m;
+
+  FixShake *fsptr = (FixShake *) ptr;
+  Atom *atom = fsptr->atom;
+  Memory *memory = fsptr->memory;
+
+  // clear atom map so it can be here as a hash table
+  // faster than an STL map for large atom counts
+
+  atom->map_clear();
+
+  // hash atom IDs stored in rendezvous decomposition
+
+  int nrvous = fsptr->nrvous;
+  tagint *atomIDs = fsptr->atomIDs;
+
+  for (i = 0; i < nrvous; i++)
+    atom->map_one(atomIDs[i],i);
+
+  // proclist = owner of atomID in caller decomposition
+  // outbuf = info about owned atomID = 4 values
+
+  PartnerInfo *in = (PartnerInfo *) inbuf;
+  int *procowner = fsptr->procowner;
+  memory->create(proclist,n,"shake:proclist");
+
+  for (i = 0; i < n; i++) {
+    m = atom->map(in[i].atomID);
+    proclist[i] = procowner[m];
+  }
+
+  outbuf = inbuf;
+
+  // re-create atom map
+
+  atom->map_init(0);
+  atom->nghost = 0;
+  atom->map_set();
+
+  // flag = 1: outbuf = inbuf
+
+  flag = 1;
+  return n;
+}
+
+/* ----------------------------------------------------------------------
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N NShakeInfo datums
+   outbuf = same list of N NShakeInfo datums, routed to different procs
+------------------------------------------------------------------------- */
+
+int FixShake::rendezvous_nshake(int n, char *inbuf,
+                                int &flag, int *&proclist, char *&outbuf,
+                                void *ptr)
+{
+  int i,m;
+
+  FixShake *fsptr = (FixShake *) ptr;
+  Atom *atom = fsptr->atom;
+  Memory *memory = fsptr->memory;
+
+  // clear atom map so it can be here as a hash table
+  // faster than an STL map for large atom counts
+
+  atom->map_clear();
+
+  // hash atom IDs stored in rendezvous decomposition
+
+  int nrvous = fsptr->nrvous;
+  tagint *atomIDs = fsptr->atomIDs;
+
+  for (i = 0; i < nrvous; i++)
+    atom->map_one(atomIDs[i],i);
+
+  // proclist = owner of atomID in caller decomposition
+  // outbuf = info about owned atomID
+
+  NShakeInfo *in = (NShakeInfo *) inbuf;
+  int *procowner = fsptr->procowner;
+  memory->create(proclist,n,"shake:proclist");
+
+  for (i = 0; i < n; i++) {
+    m = atom->map(in[i].atomID);
+    proclist[i] = procowner[m];
+  }
+
+  outbuf = inbuf;
+
+  // re-create atom map
+
+  atom->map_init(0);
+  atom->nghost = 0;
+  atom->map_set();
+
+  // flag = 1: outbuf = inbuf
+
+  flag = 1;
+  return n;
+}
+/* ----------------------------------------------------------------------
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N PairRvous datums
+   outbuf = same list of N PairRvous datums, routed to different procs
+------------------------------------------------------------------------- */
+
+int FixShake::rendezvous_shake(int n, char *inbuf,
+                               int &flag, int *&proclist, char *&outbuf,
+                               void *ptr)
+{
+  int i,m;
+
+  FixShake *fsptr = (FixShake *) ptr;
+  Atom *atom = fsptr->atom;
+  Memory *memory = fsptr->memory;
+
+  // clear atom map so it can be here as a hash table
+  // faster than an STL map for large atom counts
+
+  atom->map_clear();
+
+  // hash atom IDs stored in rendezvous decomposition
+
+  int nrvous = fsptr->nrvous;
+  tagint *atomIDs = fsptr->atomIDs;
+
+  for (i = 0; i < nrvous; i++)
+    atom->map_one(atomIDs[i],i);
+
+  // proclist = owner of atomID in caller decomposition
+  // outbuf = info about owned atomID
+
+  ShakeInfo *in = (ShakeInfo *) inbuf;
+  int *procowner = fsptr->procowner;
+  memory->create(proclist,n,"shake:proclist");
+
+  for (i = 0; i < n; i++) {
+    m = atom->map(in[i].atomID);
+    proclist[i] = procowner[m];
+  }
+
+  outbuf = inbuf;
+
+  // re-create atom map
+
+  atom->map_init(0);
+  atom->nghost = 0;
+  atom->map_set();
+
+  // flag = 1: outbuf = inbuf;
+
+  flag = 1;
+  return n;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/RIGID/fix_shake.h b/src/RIGID/fix_shake.h
index d4e7b85ec49b9d52241facf3e945a8feb72acc1a..ee9f520fea28289e9037b31038126119edc2e30e 100644
--- a/src/RIGID/fix_shake.h
+++ b/src/RIGID/fix_shake.h
@@ -120,6 +120,11 @@ class FixShake : public Fix {
   int nmol;
 
   void find_clusters();
+  void atom_owners();
+  void partner_info(int *, tagint **, int **, int **, int **, int **);
+  void nshake_info(int *, tagint **, int **);
+  void shake_info(int *, tagint **, int **);
+
   int masscheck(double);
   void unconstrained_update();
   void unconstrained_update_respa(int);
@@ -131,12 +136,40 @@ class FixShake : public Fix {
   int bondtype_findset(int, tagint, tagint, int);
   int angletype_findset(int, tagint, tagint, int);
 
-  // static variable for ring communication callback to access class data
-  // callback functions for ring communication
+  // data used by rendezvous callback methods
+
+  int nrvous;
+  tagint *atomIDs;
+  int *procowner;
+
+  struct IDRvous {
+    int me;
+    tagint atomID;
+  };
+
+  struct PartnerInfo {
+    tagint atomID,partnerID;
+    int mask,type,massflag,bondtype;
+  };
+
+  struct NShakeInfo {
+    tagint atomID,partnerID;
+    int nshake;
+  };
+
+  struct ShakeInfo {
+    tagint atomID;
+    tagint shake_atom[4];
+    int shake_flag;
+    int shake_type[3];
+  };
+
+  // callback functions for rendezvous communication
 
-  static void ring_bonds(int, char *, void *);
-  static void ring_nshake(int, char *, void *);
-  static void ring_shake(int, char *, void *);
+  static int rendezvous_ids(int, char *, int &, int *&, char *&, void *);
+  static int rendezvous_partners_info(int, char *, int &, int *&, char *&, void *);
+  static int rendezvous_nshake(int, char *, int &, int *&, char *&, void *);
+  static int rendezvous_shake(int, char *, int &, int *&, char *&, void *);
 };
 
 }
diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp
index 5ca63a7e850b27ed9420ee86985273475638d54e..cc7a84281e4c6c3cf07dec3abb9673b3a07bf5fc 100644
--- a/src/SNAP/compute_sna_atom.cpp
+++ b/src/SNAP/compute_sna_atom.cpp
@@ -25,7 +25,6 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "openmp_snap.h"
 
 using namespace LAMMPS_NS;
 
@@ -45,7 +44,6 @@ ComputeSNAAtom::ComputeSNAAtom(LAMMPS *lmp, int narg, char **arg) :
 
   // default values
 
-  diagonalstyle = 0;
   rmin0 = 0.0;
   switchflag = 1;
   bzeroflag = 1;
@@ -85,14 +83,7 @@ ComputeSNAAtom::ComputeSNAAtom(LAMMPS *lmp, int narg, char **arg) :
   int iarg = nargmin;
 
   while (iarg < narg) {
-    if (strcmp(arg[iarg],"diagonal") == 0) {
-      if (iarg+2 > narg)
-        error->all(FLERR,"Illegal compute sna/atom command");
-      diagonalstyle = atoi(arg[iarg+1]);
-      if (diagonalstyle < 0 || diagonalstyle > 3)
-        error->all(FLERR,"Illegal compute sna/atom command");
-      iarg += 2;
-    } else if (strcmp(arg[iarg],"rmin0") == 0) {
+    if (strcmp(arg[iarg],"rmin0") == 0) {
       if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute sna/atom command");
       rmin0 = atof(arg[iarg+1]);
@@ -115,28 +106,16 @@ ComputeSNAAtom::ComputeSNAAtom(LAMMPS *lmp, int narg, char **arg) :
     } else error->all(FLERR,"Illegal compute sna/atom command");
   }
 
-  nthreads = comm->nthreads;
-  snaptr = new SNA*[nthreads];
-#if defined(_OPENMP)
-#pragma omp parallel default(none) shared(lmp,rfac0,twojmax,rmin0,switchflag,bzeroflag)
-#endif
-  {
-    int tid = omp_get_thread_num();
-
-    // always unset use_shared_arrays since it does not work with computes
-    snaptr[tid] = new SNA(lmp,rfac0,twojmax,diagonalstyle,
-                          0 /*use_shared_arrays*/, rmin0,switchflag,bzeroflag);
-  }
+  snaptr = new SNA(lmp,rfac0,twojmax,
+                   rmin0,switchflag,bzeroflag);
 
-  ncoeff = snaptr[0]->ncoeff;
+  ncoeff = snaptr->ncoeff;
   size_peratom_cols = ncoeff;
   if (quadraticflag) size_peratom_cols += (ncoeff*(ncoeff+1))/2;
   peratom_flag = 1;
 
   nmax = 0;
-  njmax = 0;
   sna = NULL;
-
 }
 
 /* ---------------------------------------------------------------------- */
@@ -147,9 +126,7 @@ ComputeSNAAtom::~ComputeSNAAtom()
   memory->destroy(radelem);
   memory->destroy(wjelem);
   memory->destroy(cutsq);
-  for (int tid = 0; tid<nthreads; tid++)
-    delete snaptr[tid];
-  delete [] snaptr;
+  delete snaptr;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -176,13 +153,7 @@ void ComputeSNAAtom::init()
     if (strcmp(modify->compute[i]->style,"sna/atom") == 0) count++;
   if (count > 1 && comm->me == 0)
     error->warning(FLERR,"More than one compute sna/atom");
-#if defined(_OPENMP)
-#pragma omp parallel default(none)
-#endif
-  {
-    int tid = omp_get_thread_num();
-    snaptr[tid]->init();
-  }
+  snaptr->init();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -223,11 +194,7 @@ void ComputeSNAAtom::compute_peratom()
   double** const x = atom->x;
   const int* const mask = atom->mask;
 
-#if defined(_OPENMP)
-#pragma omp parallel for default(none)
-#endif
   for (int ii = 0; ii < inum; ii++) {
-    const int tid = omp_get_thread_num();
     const int i = ilist[ii];
     if (mask[i] & groupbit) {
 
@@ -241,7 +208,7 @@ void ComputeSNAAtom::compute_peratom()
 
       // insure rij, inside, and typej  are of size jnum
 
-      snaptr[tid]->grow_rij(jnum);
+      snaptr->grow_rij(jnum);
 
       // rij[][3] = displacements between atom I and those neighbors
       // inside = indices of neighbors of I within cutoff
@@ -258,26 +225,25 @@ void ComputeSNAAtom::compute_peratom()
         const double rsq = delx*delx + dely*dely + delz*delz;
         int jtype = type[j];
         if (rsq < cutsq[itype][jtype] && rsq>1e-20) {
-          snaptr[tid]->rij[ninside][0] = delx;
-          snaptr[tid]->rij[ninside][1] = dely;
-          snaptr[tid]->rij[ninside][2] = delz;
-          snaptr[tid]->inside[ninside] = j;
-          snaptr[tid]->wj[ninside] = wjelem[jtype];
-          snaptr[tid]->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
+          snaptr->rij[ninside][0] = delx;
+          snaptr->rij[ninside][1] = dely;
+          snaptr->rij[ninside][2] = delz;
+          snaptr->inside[ninside] = j;
+          snaptr->wj[ninside] = wjelem[jtype];
+          snaptr->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
           ninside++;
         }
       }
 
-      snaptr[tid]->compute_ui(ninside);
-      snaptr[tid]->compute_zi();
-      snaptr[tid]->compute_bi();
-      snaptr[tid]->copy_bi2bvec();
+      snaptr->compute_ui(ninside);
+      snaptr->compute_zi();
+      snaptr->compute_bi();
       for (int icoeff = 0; icoeff < ncoeff; icoeff++)
-        sna[i][icoeff] = snaptr[tid]->bvec[icoeff];
+        sna[i][icoeff] = snaptr->blist[icoeff];
       if (quadraticflag) {
         int ncount = ncoeff;
         for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          double bi = snaptr[tid]->bvec[icoeff];
+          double bi = snaptr->blist[icoeff];
 
           // diagonal element of quadratic matrix
 
@@ -286,7 +252,7 @@ void ComputeSNAAtom::compute_peratom()
           // upper-triangular elements of quadratic matrix
 
           for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++)
-            sna[i][ncount++] = bi*snaptr[tid]->bvec[jcoeff];
+            sna[i][ncount++] = bi*snaptr->blist[jcoeff];
         }
       }
     } else {
@@ -302,10 +268,9 @@ void ComputeSNAAtom::compute_peratom()
 
 double ComputeSNAAtom::memory_usage()
 {
-  double bytes = nmax*size_peratom_cols * sizeof(double);
-  bytes += 3*njmax*sizeof(double);
-  bytes += njmax*sizeof(int);
-  bytes += snaptr[0]->memory_usage()*comm->nthreads;
+  double bytes = nmax*size_peratom_cols * sizeof(double); // sna
+  bytes += snaptr->memory_usage();                        // SNA object
+
   return bytes;
 }
 
diff --git a/src/SNAP/compute_sna_atom.h b/src/SNAP/compute_sna_atom.h
index 2f6fb189963f99c823bb2397f6cbc651e50d318f..105a62a37ac3b12349dac3822feb273363f66dec 100644
--- a/src/SNAP/compute_sna_atom.h
+++ b/src/SNAP/compute_sna_atom.h
@@ -34,7 +34,7 @@ class ComputeSNAAtom : public Compute {
   double memory_usage();
 
  private:
-  int nmax, njmax, diagonalstyle;
+  int nmax;
   int ncoeff;
   double **cutsq;
   class NeighList *list;
@@ -42,10 +42,9 @@ class ComputeSNAAtom : public Compute {
   double rcutfac;
   double *radelem;
   double *wjelem;
-  class SNA** snaptr;
+  class SNA* snaptr;
   double cutmax;
   int quadraticflag;
-  int nthreads;
 };
 
 }
diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp
index b0395d5317fa60957ce2fc6ba834e537b9849aba..0a82cdeb0033422bc86e24a0e07bd58ba8ffb63e 100644
--- a/src/SNAP/compute_snad_atom.cpp
+++ b/src/SNAP/compute_snad_atom.cpp
@@ -25,7 +25,6 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "openmp_snap.h"
 
 using namespace LAMMPS_NS;
 
@@ -45,7 +44,6 @@ ComputeSNADAtom::ComputeSNADAtom(LAMMPS *lmp, int narg, char **arg) :
 
   // default values
 
-  diagonalstyle = 0;
   rmin0 = 0.0;
   switchflag = 1;
   bzeroflag = 1;
@@ -83,14 +81,7 @@ ComputeSNADAtom::ComputeSNADAtom(LAMMPS *lmp, int narg, char **arg) :
   int iarg = nargmin;
 
   while (iarg < narg) {
-    if (strcmp(arg[iarg],"diagonal") == 0) {
-      if (iarg+2 > narg)
-        error->all(FLERR,"Illegal compute snad/atom command");
-      diagonalstyle = atof(arg[iarg+1]);
-      if (diagonalstyle < 0 || diagonalstyle > 3)
-        error->all(FLERR,"Illegal compute snad/atom command");
-      iarg += 2;
-    } else if (strcmp(arg[iarg],"rmin0") == 0) {
+    if (strcmp(arg[iarg],"rmin0") == 0) {
       if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute snad/atom command");
       rmin0 = atof(arg[iarg+1]);
@@ -113,20 +104,10 @@ ComputeSNADAtom::ComputeSNADAtom(LAMMPS *lmp, int narg, char **arg) :
     } else error->all(FLERR,"Illegal compute snad/atom command");
   }
 
-  nthreads = comm->nthreads;
-  snaptr = new SNA*[nthreads];
-#if defined(_OPENMP)
-#pragma omp parallel default(none) shared(lmp,rfac0,twojmax,rmin0,switchflag,bzeroflag)
-#endif
-  {
-    int tid = omp_get_thread_num();
-
-    // always unset use_shared_arrays since it does not work with computes
-    snaptr[tid] = new SNA(lmp,rfac0,twojmax,diagonalstyle,
-                          0 /*use_shared_arrays*/, rmin0,switchflag,bzeroflag);
-  }
+  snaptr = new SNA(lmp,rfac0,twojmax,
+                   rmin0,switchflag,bzeroflag);
 
-  ncoeff = snaptr[0]->ncoeff;
+  ncoeff = snaptr->ncoeff;
   nperdim = ncoeff;
   if (quadraticflag) nperdim += (ncoeff*(ncoeff+1))/2;
   yoffset = nperdim;
@@ -136,9 +117,7 @@ ComputeSNADAtom::ComputeSNADAtom(LAMMPS *lmp, int narg, char **arg) :
   peratom_flag = 1;
 
   nmax = 0;
-  njmax = 0;
   snad = NULL;
-
 }
 
 /* ---------------------------------------------------------------------- */
@@ -149,9 +128,7 @@ ComputeSNADAtom::~ComputeSNADAtom()
   memory->destroy(radelem);
   memory->destroy(wjelem);
   memory->destroy(cutsq);
-  for (int tid = 0; tid<nthreads; tid++)
-    delete snaptr[tid];
-  delete [] snaptr;
+  delete snaptr;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -178,13 +155,7 @@ void ComputeSNADAtom::init()
     if (strcmp(modify->compute[i]->style,"snad/atom") == 0) count++;
   if (count > 1 && comm->me == 0)
     error->warning(FLERR,"More than one compute snad/atom");
-#if defined(_OPENMP)
-#pragma omp parallel default(none)
-#endif
-  {
-    int tid = omp_get_thread_num();
-    snaptr[tid]->init();
-  }
+  snaptr->init();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -235,11 +206,7 @@ void ComputeSNADAtom::compute_peratom()
   double** const x = atom->x;
   const int* const mask = atom->mask;
 
-#if defined(_OPENMP)
-#pragma omp parallel for default(none)
-#endif
   for (int ii = 0; ii < inum; ii++) {
-    const int tid = omp_get_thread_num();
     const int i = ilist[ii];
     if (mask[i] & groupbit) {
 
@@ -258,7 +225,7 @@ void ComputeSNADAtom::compute_peratom()
 
       // insure rij, inside, and typej  are of size jnum
 
-      snaptr[tid]->grow_rij(jnum);
+      snaptr->grow_rij(jnum);
 
       // rij[][3] = displacements between atom I and those neighbors
       // inside = indices of neighbors of I within cutoff
@@ -276,30 +243,28 @@ void ComputeSNADAtom::compute_peratom()
         const double rsq = delx*delx + dely*dely + delz*delz;
         int jtype = type[j];
         if (rsq < cutsq[itype][jtype]&&rsq>1e-20) {
-          snaptr[tid]->rij[ninside][0] = delx;
-          snaptr[tid]->rij[ninside][1] = dely;
-          snaptr[tid]->rij[ninside][2] = delz;
-          snaptr[tid]->inside[ninside] = j;
-          snaptr[tid]->wj[ninside] = wjelem[jtype];
-          snaptr[tid]->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
+          snaptr->rij[ninside][0] = delx;
+          snaptr->rij[ninside][1] = dely;
+          snaptr->rij[ninside][2] = delz;
+          snaptr->inside[ninside] = j;
+          snaptr->wj[ninside] = wjelem[jtype];
+          snaptr->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
           ninside++;
         }
       }
 
-      snaptr[tid]->compute_ui(ninside);
-      snaptr[tid]->compute_zi();
+      snaptr->compute_ui(ninside);
+      snaptr->compute_zi();
       if (quadraticflag) {
-        snaptr[tid]->compute_bi();
-        snaptr[tid]->copy_bi2bvec();
+        snaptr->compute_bi();
       }
 
       for (int jj = 0; jj < ninside; jj++) {
-        const int j = snaptr[tid]->inside[jj];
-        snaptr[tid]->compute_duidrj(snaptr[tid]->rij[jj],
-                                    snaptr[tid]->wj[jj],
-                                    snaptr[tid]->rcutij[jj]);
-        snaptr[tid]->compute_dbidrj();
-        snaptr[tid]->copy_dbi2dbvec();
+        const int j = snaptr->inside[jj];
+        snaptr->compute_duidrj(snaptr->rij[jj],
+                                    snaptr->wj[jj],
+                                    snaptr->rcutij[jj],jj);
+        snaptr->compute_dbidrj();
 
         // Accumulate -dBi/dRi, -dBi/dRj
 
@@ -307,12 +272,12 @@ void ComputeSNADAtom::compute_peratom()
         double *snadj = snad[j]+typeoffset;
 
         for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          snadi[icoeff] += snaptr[tid]->dbvec[icoeff][0];
-          snadi[icoeff+yoffset] += snaptr[tid]->dbvec[icoeff][1];
-          snadi[icoeff+zoffset] += snaptr[tid]->dbvec[icoeff][2];
-          snadj[icoeff] -= snaptr[tid]->dbvec[icoeff][0];
-          snadj[icoeff+yoffset] -= snaptr[tid]->dbvec[icoeff][1];
-          snadj[icoeff+zoffset] -= snaptr[tid]->dbvec[icoeff][2];
+          snadi[icoeff] += snaptr->dblist[icoeff][0];
+          snadi[icoeff+yoffset] += snaptr->dblist[icoeff][1];
+          snadi[icoeff+zoffset] += snaptr->dblist[icoeff][2];
+          snadj[icoeff] -= snaptr->dblist[icoeff][0];
+          snadj[icoeff+yoffset] -= snaptr->dblist[icoeff][1];
+          snadj[icoeff+zoffset] -= snaptr->dblist[icoeff][2];
         }
 
         if (quadraticflag) {
@@ -321,10 +286,10 @@ void ComputeSNADAtom::compute_peratom()
           snadj += quadraticoffset;
           int ncount = 0;
           for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-            double bi = snaptr[tid]->bvec[icoeff];
-            double bix = snaptr[tid]->dbvec[icoeff][0];
-            double biy = snaptr[tid]->dbvec[icoeff][1];
-            double biz = snaptr[tid]->dbvec[icoeff][2];
+            double bi = snaptr->blist[icoeff];
+            double bix = snaptr->dblist[icoeff][0];
+            double biy = snaptr->dblist[icoeff][1];
+            double biz = snaptr->dblist[icoeff][2];
 
             // diagonal elements of quadratic matrix
 
@@ -343,12 +308,12 @@ void ComputeSNADAtom::compute_peratom()
             // upper-triangular elements of quadratic matrix
 
             for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-              double dbxtmp = bi*snaptr[tid]->dbvec[jcoeff][0]
-                + bix*snaptr[tid]->bvec[jcoeff];
-              double dbytmp = bi*snaptr[tid]->dbvec[jcoeff][1]
-                + biy*snaptr[tid]->bvec[jcoeff];
-              double dbztmp = bi*snaptr[tid]->dbvec[jcoeff][2]
-                + biz*snaptr[tid]->bvec[jcoeff];
+              double dbxtmp = bi*snaptr->dblist[jcoeff][0]
+                + bix*snaptr->blist[jcoeff];
+              double dbytmp = bi*snaptr->dblist[jcoeff][1]
+                + biy*snaptr->blist[jcoeff];
+              double dbztmp = bi*snaptr->dblist[jcoeff][2]
+                + biz*snaptr->blist[jcoeff];
 
               snadi[ncount] +=         dbxtmp;
               snadi[ncount+yoffset] += dbytmp;
@@ -404,10 +369,9 @@ void ComputeSNADAtom::unpack_reverse_comm(int n, int *list, double *buf)
 
 double ComputeSNADAtom::memory_usage()
 {
-  double bytes = nmax*size_peratom_cols * sizeof(double);
-  bytes += 3*njmax*sizeof(double);
-  bytes += njmax*sizeof(int);
-  bytes += 3*nperdim*atom->ntypes;
-  bytes += snaptr[0]->memory_usage()*comm->nthreads;
+
+  double bytes = nmax*size_peratom_cols * sizeof(double); // snad
+  bytes += snaptr->memory_usage();                        // SNA object
+
   return bytes;
 }
diff --git a/src/SNAP/compute_snad_atom.h b/src/SNAP/compute_snad_atom.h
index 92003a9bc572ba57e0a7a79294b3190ccea433e1..ac353d855310c782d7f3bb685ddb2f88b8ab7ebb 100644
--- a/src/SNAP/compute_snad_atom.h
+++ b/src/SNAP/compute_snad_atom.h
@@ -36,7 +36,7 @@ class ComputeSNADAtom : public Compute {
   double memory_usage();
 
  private:
-  int nmax, njmax, diagonalstyle;
+  int nmax;
   int ncoeff, nperdim, yoffset, zoffset;
   double **cutsq;
   class NeighList *list;
@@ -44,10 +44,9 @@ class ComputeSNADAtom : public Compute {
   double rcutfac;
   double *radelem;
   double *wjelem;
-  class SNA** snaptr;
+  class SNA* snaptr;
   double cutmax;
   int quadraticflag;
-  int nthreads;
 };
 
 }
diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp
index b2d555f713aa0009185a0b096c46c7bab9f51c08..374bf32298b95c7a06f7d7400de3186bd9719b6a 100644
--- a/src/SNAP/compute_snav_atom.cpp
+++ b/src/SNAP/compute_snav_atom.cpp
@@ -25,7 +25,6 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "openmp_snap.h"
 
 using namespace LAMMPS_NS;
 
@@ -45,7 +44,6 @@ ComputeSNAVAtom::ComputeSNAVAtom(LAMMPS *lmp, int narg, char **arg) :
 
   // default values
 
-  diagonalstyle = 0;
   rmin0 = 0.0;
   switchflag = 1;
   bzeroflag = 1;
@@ -79,14 +77,7 @@ ComputeSNAVAtom::ComputeSNAVAtom(LAMMPS *lmp, int narg, char **arg) :
   int iarg = nargmin;
 
   while (iarg < narg) {
-    if (strcmp(arg[iarg],"diagonal") == 0) {
-      if (iarg+2 > narg)
-        error->all(FLERR,"Illegal compute snav/atom command");
-      diagonalstyle = atof(arg[iarg+1]);
-      if (diagonalstyle < 0 || diagonalstyle > 3)
-        error->all(FLERR,"Illegal compute snav/atom command");
-      iarg += 2;
-    } else if (strcmp(arg[iarg],"rmin0") == 0) {
+    if (strcmp(arg[iarg],"rmin0") == 0) {
       if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute snav/atom command");
       rmin0 = atof(arg[iarg+1]);
@@ -109,20 +100,10 @@ ComputeSNAVAtom::ComputeSNAVAtom(LAMMPS *lmp, int narg, char **arg) :
     } else error->all(FLERR,"Illegal compute snav/atom command");
   }
 
-  nthreads = comm->nthreads;
-  snaptr = new SNA*[nthreads];
-#if defined(_OPENMP)
-#pragma omp parallel default(none) shared(lmp,rfac0,twojmax,rmin0,switchflag,bzeroflag)
-#endif
-  {
-    int tid = omp_get_thread_num();
-
-    // always unset use_shared_arrays since it does not work with computes
-    snaptr[tid] = new SNA(lmp,rfac0,twojmax,diagonalstyle,
-                          0 /*use_shared_arrays*/, rmin0,switchflag,bzeroflag);
-  }
+  snaptr = new SNA(lmp,rfac0,twojmax,
+                   rmin0,switchflag,bzeroflag);
 
-  ncoeff = snaptr[0]->ncoeff;
+  ncoeff = snaptr->ncoeff;
   nperdim = ncoeff;
   if (quadraticflag) nperdim += (ncoeff*(ncoeff+1))/2;
   size_peratom_cols = 6*nperdim*atom->ntypes;
@@ -130,7 +111,6 @@ ComputeSNAVAtom::ComputeSNAVAtom(LAMMPS *lmp, int narg, char **arg) :
   peratom_flag = 1;
 
   nmax = 0;
-  njmax = 0;
   snav = NULL;
 
 }
@@ -144,9 +124,7 @@ ComputeSNAVAtom::~ComputeSNAVAtom()
   memory->destroy(wjelem);
   memory->destroy(cutsq);
 
-  for (int tid = 0; tid<nthreads; tid++)
-    delete snaptr[tid];
-  delete [] snaptr;
+  delete snaptr;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -174,13 +152,7 @@ void ComputeSNAVAtom::init()
     if (strcmp(modify->compute[i]->style,"snav/atom") == 0) count++;
   if (count > 1 && comm->me == 0)
     error->warning(FLERR,"More than one compute snav/atom");
-#if defined(_OPENMP)
-#pragma omp parallel default(none)
-#endif
-  {
-    int tid = omp_get_thread_num();
-    snaptr[tid]->init();
-  }
+  snaptr->init();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -230,11 +202,7 @@ void ComputeSNAVAtom::compute_peratom()
   double** const x = atom->x;
   const int* const mask = atom->mask;
 
-#if defined(_OPENMP)
-#pragma omp parallel for default(none)
-#endif
   for (int ii = 0; ii < inum; ii++) {
-    const int tid = omp_get_thread_num();
     const int i = ilist[ii];
     if (mask[i] & groupbit) {
 
@@ -251,7 +219,7 @@ void ComputeSNAVAtom::compute_peratom()
 
       // insure rij, inside, and typej  are of size jnum
 
-          snaptr[tid]->grow_rij(jnum);
+      snaptr->grow_rij(jnum);
 
       // rij[][3] = displacements between atom I and those neighbors
       // inside = indices of neighbors of I within cutoff
@@ -269,31 +237,29 @@ void ComputeSNAVAtom::compute_peratom()
         const double rsq = delx*delx + dely*dely + delz*delz;
         int jtype = type[j];
         if (rsq < cutsq[itype][jtype]&&rsq>1e-20) {
-          snaptr[tid]->rij[ninside][0] = delx;
-          snaptr[tid]->rij[ninside][1] = dely;
-          snaptr[tid]->rij[ninside][2] = delz;
-          snaptr[tid]->inside[ninside] = j;
-          snaptr[tid]->wj[ninside] = wjelem[jtype];
-          snaptr[tid]->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
+          snaptr->rij[ninside][0] = delx;
+          snaptr->rij[ninside][1] = dely;
+          snaptr->rij[ninside][2] = delz;
+          snaptr->inside[ninside] = j;
+          snaptr->wj[ninside] = wjelem[jtype];
+          snaptr->rcutij[ninside] = (radi+radelem[jtype])*rcutfac;
           ninside++;
         }
       }
 
-      snaptr[tid]->compute_ui(ninside);
-      snaptr[tid]->compute_zi();
+      snaptr->compute_ui(ninside);
+      snaptr->compute_zi();
       if (quadraticflag) {
-        snaptr[tid]->compute_bi();
-        snaptr[tid]->copy_bi2bvec();
+        snaptr->compute_bi();
       }
 
       for (int jj = 0; jj < ninside; jj++) {
-        const int j = snaptr[tid]->inside[jj];
+        const int j = snaptr->inside[jj];
 
-        snaptr[tid]->compute_duidrj(snaptr[tid]->rij[jj],
-                                    snaptr[tid]->wj[jj],
-                                    snaptr[tid]->rcutij[jj]);
-        snaptr[tid]->compute_dbidrj();
-        snaptr[tid]->copy_dbi2dbvec();
+        snaptr->compute_duidrj(snaptr->rij[jj],
+                                    snaptr->wj[jj],
+                                    snaptr->rcutij[jj],jj);
+        snaptr->compute_dbidrj();
 
         // Accumulate -dBi/dRi*Ri, -dBi/dRj*Rj
 
@@ -301,18 +267,18 @@ void ComputeSNAVAtom::compute_peratom()
         double *snavj = snav[j]+typeoffset;
 
         for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          snavi[icoeff]           += snaptr[tid]->dbvec[icoeff][0]*xtmp;
-          snavi[icoeff+nperdim]   += snaptr[tid]->dbvec[icoeff][1]*ytmp;
-          snavi[icoeff+2*nperdim] += snaptr[tid]->dbvec[icoeff][2]*ztmp;
-          snavi[icoeff+3*nperdim] += snaptr[tid]->dbvec[icoeff][1]*ztmp;
-          snavi[icoeff+4*nperdim] += snaptr[tid]->dbvec[icoeff][0]*ztmp;
-          snavi[icoeff+5*nperdim] += snaptr[tid]->dbvec[icoeff][0]*ytmp;
-          snavj[icoeff]           -= snaptr[tid]->dbvec[icoeff][0]*x[j][0];
-          snavj[icoeff+nperdim]   -= snaptr[tid]->dbvec[icoeff][1]*x[j][1];
-          snavj[icoeff+2*nperdim] -= snaptr[tid]->dbvec[icoeff][2]*x[j][2];
-          snavj[icoeff+3*nperdim] -= snaptr[tid]->dbvec[icoeff][1]*x[j][2];
-          snavj[icoeff+4*nperdim] -= snaptr[tid]->dbvec[icoeff][0]*x[j][2];
-          snavj[icoeff+5*nperdim] -= snaptr[tid]->dbvec[icoeff][0]*x[j][1];
+          snavi[icoeff]           += snaptr->dblist[icoeff][0]*xtmp;
+          snavi[icoeff+nperdim]   += snaptr->dblist[icoeff][1]*ytmp;
+          snavi[icoeff+2*nperdim] += snaptr->dblist[icoeff][2]*ztmp;
+          snavi[icoeff+3*nperdim] += snaptr->dblist[icoeff][1]*ztmp;
+          snavi[icoeff+4*nperdim] += snaptr->dblist[icoeff][0]*ztmp;
+          snavi[icoeff+5*nperdim] += snaptr->dblist[icoeff][0]*ytmp;
+          snavj[icoeff]           -= snaptr->dblist[icoeff][0]*x[j][0];
+          snavj[icoeff+nperdim]   -= snaptr->dblist[icoeff][1]*x[j][1];
+          snavj[icoeff+2*nperdim] -= snaptr->dblist[icoeff][2]*x[j][2];
+          snavj[icoeff+3*nperdim] -= snaptr->dblist[icoeff][1]*x[j][2];
+          snavj[icoeff+4*nperdim] -= snaptr->dblist[icoeff][0]*x[j][2];
+          snavj[icoeff+5*nperdim] -= snaptr->dblist[icoeff][0]*x[j][1];
         }
 
         if (quadraticflag) {
@@ -321,10 +287,10 @@ void ComputeSNAVAtom::compute_peratom()
           snavj += quadraticoffset;
           int ncount = 0;
           for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-            double bi = snaptr[tid]->bvec[icoeff];
-            double bix = snaptr[tid]->dbvec[icoeff][0];
-            double biy = snaptr[tid]->dbvec[icoeff][1];
-            double biz = snaptr[tid]->dbvec[icoeff][2];
+            double bi = snaptr->blist[icoeff];
+            double bix = snaptr->dblist[icoeff][0];
+            double biy = snaptr->dblist[icoeff][1];
+            double biz = snaptr->dblist[icoeff][2];
 
             // diagonal element of quadratic matrix
 
@@ -348,12 +314,12 @@ void ComputeSNAVAtom::compute_peratom()
             // upper-triangular elements of quadratic matrix
 
             for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-              double dbxtmp = bi*snaptr[tid]->dbvec[jcoeff][0]
-                + bix*snaptr[tid]->bvec[jcoeff];
-              double dbytmp = bi*snaptr[tid]->dbvec[jcoeff][1]
-                + biy*snaptr[tid]->bvec[jcoeff];
-              double dbztmp = bi*snaptr[tid]->dbvec[jcoeff][2]
-                + biz*snaptr[tid]->bvec[jcoeff];
+              double dbxtmp = bi*snaptr->dblist[jcoeff][0]
+                + bix*snaptr->blist[jcoeff];
+              double dbytmp = bi*snaptr->dblist[jcoeff][1]
+                + biy*snaptr->blist[jcoeff];
+              double dbztmp = bi*snaptr->dblist[jcoeff][2]
+                + biz*snaptr->blist[jcoeff];
               snavi[ncount] +=           dbxtmp*xtmp;
               snavi[ncount+nperdim] +=   dbytmp*ytmp;
               snavi[ncount+2*nperdim] += dbztmp*ztmp;
@@ -414,11 +380,8 @@ void ComputeSNAVAtom::unpack_reverse_comm(int n, int *list, double *buf)
 
 double ComputeSNAVAtom::memory_usage()
 {
-  double bytes = nmax*size_peratom_cols * sizeof(double);
-  bytes += 3*njmax*sizeof(double);
-  bytes += njmax*sizeof(int);
-  bytes += 6*nperdim*atom->ntypes;
-  if (quadraticflag) bytes += 6*nperdim*atom->ntypes;
-  bytes += snaptr[0]->memory_usage()*comm->nthreads;
+  double bytes = nmax*size_peratom_cols * sizeof(double); // snav
+  bytes += snaptr->memory_usage();                        // SNA object
+
   return bytes;
 }
diff --git a/src/SNAP/compute_snav_atom.h b/src/SNAP/compute_snav_atom.h
index 9be5e1d3896aed6a881e444c3d71b2574aac4e58..9df17cc667e02ab94f2a3c5d256c0e58a957fb77 100644
--- a/src/SNAP/compute_snav_atom.h
+++ b/src/SNAP/compute_snav_atom.h
@@ -36,7 +36,7 @@ class ComputeSNAVAtom : public Compute {
   double memory_usage();
 
  private:
-  int nmax, njmax, diagonalstyle;
+  int nmax;
   int ncoeff, nperdim;
   double **cutsq;
   class NeighList *list;
@@ -44,9 +44,8 @@ class ComputeSNAVAtom : public Compute {
   double rcutfac;
   double *radelem;
   double *wjelem;
-  class SNA** snaptr;
+  class SNA* snaptr;
   int quadraticflag;
-  int nthreads;
 };
 
 }
diff --git a/src/SNAP/openmp_snap.h b/src/SNAP/openmp_snap.h
deleted file mode 100644
index 60a3138c9c751b3d567841ad404f83b9834d7ebb..0000000000000000000000000000000000000000
--- a/src/SNAP/openmp_snap.h
+++ /dev/null
@@ -1,16 +0,0 @@
-
-#ifndef LMP_OPENMP_SNAP_H
-#define LMP_OPENMP_SNAP_H
-
-#if defined(_OPENMP)
-#include <omp.h>
-#else
-enum omp_sched_t {omp_sched_static, omp_sched_dynamic, omp_sched_guided, omp_sched_auto};
-inline int omp_get_thread_num() { return 0;}
-inline int omp_set_num_threads(int num_threads) {return 1;}
-/* inline int __sync_fetch_and_add(int* ptr, int value) {int tmp = *ptr; ptr[0]+=value; return tmp;} */
-inline void omp_set_schedule(omp_sched_t schedule,int modifier=1) {}
-inline int omp_in_parallel() {return 0;}
-#endif
-
-#endif
diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp
index 81c5e9f6d1633bfd0c2d7844f32d4a5b67fc14e9..4dce39361f38952c84681a849f807ef73bfe5025 100644
--- a/src/SNAP/pair_snap.cpp
+++ b/src/SNAP/pair_snap.cpp
@@ -23,7 +23,6 @@
 #include "neigh_list.h"
 #include "neigh_request.h"
 #include "sna.h"
-#include "openmp_snap.h"
 #include "domain.h"
 #include "memory.h"
 #include "error.h"
@@ -35,10 +34,6 @@ using namespace LAMMPS_NS;
 #define MAXLINE 1024
 #define MAXWORD 3
 
-// Outstanding issues with quadratic term
-// 1. there seems to a problem with compute_optimized energy calc
-// it does not match compute_regular, even when quadratic coeffs = 0
-
 /* ---------------------------------------------------------------------- */
 
 PairSNAP::PairSNAP(LAMMPS *lmp) : Pair(lmp)
@@ -54,53 +49,10 @@ PairSNAP::PairSNAP(LAMMPS *lmp) : Pair(lmp)
   wjelem = NULL;
   coeffelem = NULL;
 
-  nmax = 0;
-  nthreads = 1;
-
-  schedule_user = 0;
-  schedule_time_guided = -1;
-  schedule_time_dynamic = -1;
-  ncalls_neigh =-1;
-
-  ilistmask_max = 0;
-  ilistmask = NULL;
-  ghostinum = 0;
-  ghostilist_max = 0;
-  ghostilist = NULL;
-  ghostnumneigh_max = 0;
-  ghostnumneigh = NULL;
-  ghostneighs = NULL;
-  ghostfirstneigh = NULL;
-  ghostneighs_total = 0;
-  ghostneighs_max = 0;
-
-  i_max = 0;
-  i_neighmax = 0;
-  i_numpairs = 0;
-  i_rij = NULL;
-  i_inside = NULL;
-  i_wj = NULL;
-  i_rcutij = NULL;
-  i_ninside = NULL;
-  i_pairs = NULL;
-  i_uarraytot_r = NULL;
-  i_uarraytot_i = NULL;
-  i_zarray_r = NULL;
-  i_zarray_i =NULL;
-
-  use_shared_arrays = 0;
-
-#ifdef TIMING_INFO
-  timers[0] = 0;
-  timers[1] = 0;
-  timers[2] = 0;
-  timers[3] = 0;
-#endif
-
-  // Need to set this because restart not handled by PairHybrid
-
-  sna = NULL;
-
+  beta_max = 0;
+  beta = NULL;
+  bispectrum = NULL;
+  snaptr = NULL;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -118,35 +70,10 @@ PairSNAP::~PairSNAP()
     memory->destroy(coeffelem);
   }
 
-  // Need to set this because restart not handled by PairHybrid
-
-  if (sna) {
-
-#ifdef TIMING_INFO
-    double time[5];
-    double timeave[5];
-    double timeave_mpi[5];
-    double timemax_mpi[5];
-
-    for (int i = 0; i < 5; i++) {
-      time[i] = 0;
-      timeave[i] = 0;
-      for (int tid = 0; tid<nthreads; tid++) {
-        if (sna[tid]->timers[i]>time[i])
-          time[i] = sna[tid]->timers[i];
-        timeave[i] += sna[tid]->timers[i];
-      }
-      timeave[i] /= nthreads;
-    }
-    MPI_Reduce(timeave, timeave_mpi, 5, MPI_DOUBLE, MPI_SUM, 0, world);
-    MPI_Reduce(time, timemax_mpi, 5, MPI_DOUBLE, MPI_MAX, 0, world);
-#endif
-
-    for (int tid = 0; tid<nthreads; tid++)
-      delete sna[tid];
-    delete [] sna;
+  memory->destroy(beta);
+  memory->destroy(bispectrum);
 
-  }
+  delete snaptr;
 
   if (allocated) {
     memory->destroy(setflag);
@@ -156,19 +83,11 @@ PairSNAP::~PairSNAP()
 
 }
 
-void PairSNAP::compute(int eflag, int vflag)
-{
-  if (use_optimized)
-    compute_optimized(eflag, vflag);
-  else
-    compute_regular(eflag, vflag);
-}
-
 /* ----------------------------------------------------------------------
    This version is a straightforward implementation
    ---------------------------------------------------------------------- */
 
-void PairSNAP::compute_regular(int eflag, int vflag)
+void PairSNAP::compute(int eflag, int vflag)
 {
   int i,j,jnum,ninside;
   double delx,dely,delz,evdwl,rsq;
@@ -176,15 +95,25 @@ void PairSNAP::compute_regular(int eflag, int vflag)
   int *jlist,*numneigh,**firstneigh;
   evdwl = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
   int *type = atom->type;
   int nlocal = atom->nlocal;
   int newton_pair = force->newton_pair;
-  class SNA* snaptr = sna[0];
+
+  if (beta_max < list->inum) {
+    memory->grow(beta,list->inum,ncoeff,"PairSNAP:beta");
+    memory->grow(bispectrum,list->inum,ncoeff,"PairSNAP:bispectrum");
+    beta_max = list->inum;
+  }
+
+  // compute dE_i/dB_i = beta_i for all i in list
+
+  if (quadraticflag || eflag) 
+    compute_bispectrum();
+  compute_beta();
 
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
@@ -234,66 +163,22 @@ void PairSNAP::compute_regular(int eflag, int vflag)
       }
     }
 
-    // compute Ui, Zi, and Bi for atom I
+    // compute Ui, Yi for atom I
 
     snaptr->compute_ui(ninside);
-    snaptr->compute_zi();
-    if (quadraticflag) {
-      snaptr->compute_bi();
-      snaptr->copy_bi2bvec();
-    }
 
     // for neighbors of I within cutoff:
-    // compute dUi/drj and dBi/drj
-    // Fij = dEi/dRj = -dEi/dRi => add to Fi, subtract from Fj
+    // compute Fij = dEi/dRj = -dEi/dRi 
+    // add to Fi, subtract from Fj
 
-    double* coeffi = coeffelem[ielem];
+    snaptr->compute_yi(beta[ii]);
 
     for (int jj = 0; jj < ninside; jj++) {
       int j = snaptr->inside[jj];
       snaptr->compute_duidrj(snaptr->rij[jj],
-                             snaptr->wj[jj],snaptr->rcutij[jj]);
-
-      snaptr->compute_dbidrj();
-      snaptr->copy_dbi2dbvec();
-
-      fij[0] = 0.0;
-      fij[1] = 0.0;
-      fij[2] = 0.0;
+                             snaptr->wj[jj],snaptr->rcutij[jj],jj);
 
-      // linear contributions
-
-      for (int k = 1; k <= ncoeff; k++) {
-        double bgb = coeffi[k];
-        fij[0] += bgb*snaptr->dbvec[k-1][0];
-        fij[1] += bgb*snaptr->dbvec[k-1][1];
-        fij[2] += bgb*snaptr->dbvec[k-1][2];
-      }
-
-      // quadratic contributions
-
-      if (quadraticflag) {
-        int k = ncoeff+1;
-        for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          double bveci = snaptr->bvec[icoeff];
-          double fack = coeffi[k]*bveci;
-          double* dbveci = snaptr->dbvec[icoeff];
-          fij[0] += fack*dbveci[0];
-          fij[1] += fack*dbveci[1];
-          fij[2] += fack*dbveci[2];
-          k++;
-          for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-            double facki = coeffi[k]*bveci;
-            double fackj = coeffi[k]*snaptr->bvec[jcoeff];
-            double* dbvecj = snaptr->dbvec[jcoeff];
-
-            fij[0] += facki*dbvecj[0]+fackj*dbveci[0];
-            fij[1] += facki*dbvecj[1]+fackj*dbveci[1];
-            fij[2] += facki*dbvecj[2]+fackj*dbveci[2];
-            k++;
-          }
-        }
-      }
+      snaptr->compute_deidrj(fij);
 
       f[i][0] += fij[0];
       f[i][1] += fij[1];
@@ -317,31 +202,26 @@ void PairSNAP::compute_regular(int eflag, int vflag)
 
       // evdwl = energy of atom I, sum over coeffs_k * Bi_k
 
+      double* coeffi = coeffelem[ielem];
       evdwl = coeffi[0];
-      if (!quadraticflag) {
-        snaptr->compute_bi();
-        snaptr->copy_bi2bvec();
-      }
 
       // E = beta.B + 0.5*B^t.alpha.B
-      // coeff[k] = beta[k-1] or
-      // coeff[k] = alpha_ii or
-      // coeff[k] = alpha_ij = alpha_ji, j != i
 
       // linear contributions
 
-      for (int k = 1; k <= ncoeff; k++)
-        evdwl += coeffi[k]*snaptr->bvec[k-1];
+      for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+        evdwl += coeffi[icoeff+1]*bispectrum[ii][icoeff];
 
       // quadratic contributions
 
       if (quadraticflag) {
         int k = ncoeff+1;
         for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          double bveci = snaptr->bvec[icoeff];
+          double bveci = bispectrum[ii][icoeff];
           evdwl += 0.5*coeffi[k++]*bveci*bveci;
           for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-            evdwl += coeffi[k++]*bveci*snaptr->bvec[jcoeff];
+            double bvecj = bispectrum[ii][jcoeff];
+            evdwl += coeffi[k++]*bveci*bvecj;
           }
         }
       }
@@ -353,949 +233,106 @@ void PairSNAP::compute_regular(int eflag, int vflag)
   if (vflag_fdotr) virial_fdotr_compute();
 }
 
-
 /* ----------------------------------------------------------------------
-   This version is optimized for threading, micro-load balancing
-   ---------------------------------------------------------------------- */
+   compute beta
+------------------------------------------------------------------------- */
 
-void PairSNAP::compute_optimized(int eflag, int vflag)
+void PairSNAP::compute_beta()
 {
-  // if reneighboring took place do load_balance if requested
-  if (do_load_balance > 0 &&
-      (neighbor->ncalls != ncalls_neigh)) {
-    ghostinum = 0;
-    // reset local ghost neighbor lists
-    ncalls_neigh = neighbor->ncalls;
-    if (ilistmask_max < list->inum) {
-      memory->grow(ilistmask,list->inum,"PairSnap::ilistmask");
-      ilistmask_max = list->inum;
-    }
-    for (int i = 0; i < list->inum; i++)
-      ilistmask[i] = 1;
-
-    //multiple passes for loadbalancing
-    for (int i = 0; i < do_load_balance; i++)
-      load_balance();
-  }
+  int i;
+  int *type = atom->type;
 
-  int numpairs = 0;
   for (int ii = 0; ii < list->inum; ii++) {
-    if ((do_load_balance <= 0) || ilistmask[ii]) {
-      int i = list->ilist[ii];
-      int jnum = list->numneigh[i];
-      numpairs += jnum;
-    }
-  }
-
-  if (do_load_balance)
-    for (int ii = 0; ii < ghostinum; ii++) {
-      int i = ghostilist[ii];
-      int jnum = ghostnumneigh[i];
-      numpairs += jnum;
-    }
-
-  // optimized schedule setting
-
-  int time_dynamic = 0;
-  int time_guided = 0;
-
-  if (schedule_user == 0) schedule_user = 4;
-
-  switch (schedule_user) {
-  case 1:
-    omp_set_schedule(omp_sched_static,1);
-    break;
-  case 2:
-    omp_set_schedule(omp_sched_dynamic,1);
-    break;
-  case 3:
-    omp_set_schedule(omp_sched_guided,2);
-    break;
-  case 4:
-    omp_set_schedule(omp_sched_auto,0);
-    break;
-  case 5:
-    if (numpairs < 8*nthreads) omp_set_schedule(omp_sched_dynamic,1);
-    else if (schedule_time_guided < 0.0) {
-      omp_set_schedule(omp_sched_guided,2);
-      if (!eflag && !vflag) time_guided = 1;
-    } else if (schedule_time_dynamic<0.0) {
-      omp_set_schedule(omp_sched_dynamic,1);
-      if (!eflag && !vflag) time_dynamic = 1;
-    } else if (schedule_time_guided<schedule_time_dynamic)
-      omp_set_schedule(omp_sched_guided,2);
-    else
-      omp_set_schedule(omp_sched_dynamic,1);
-    break;
-  }
-
-  if (use_shared_arrays)
-    build_per_atom_arrays();
-
-#if defined(_OPENMP)
-#pragma omp parallel shared(eflag,vflag,time_dynamic,time_guided) firstprivate(numpairs) default(none)
-#endif
-  {
-    // begin of pragma omp parallel
-
-    int tid = omp_get_thread_num();
-    int** pairs_tid_unique = NULL;
-
-    int** pairs;
-    if (use_shared_arrays) pairs = i_pairs;
-    else {
-      memory->create(pairs_tid_unique,numpairs,4,"numpairs");
-      pairs = pairs_tid_unique;
-    }
-
-    if (!use_shared_arrays) {
-      numpairs = 0;
-      for (int ii = 0; ii < list->inum; ii++) {
-        if ((do_load_balance <= 0) || ilistmask[ii]) {
-          int i = list->ilist[ii];
-          int jnum = list->numneigh[i];
-          for (int jj = 0; jj<jnum; jj++) {
-            pairs[numpairs][0] = i;
-            pairs[numpairs][1] = jj;
-            pairs[numpairs][2] = -1;
-            numpairs++;
-          }
-        }
-      }
-
-      for (int ii = 0; ii < ghostinum; ii++) {
-        int i = ghostilist[ii];
-        int jnum = ghostnumneigh[i];
-        for (int jj = 0; jj<jnum; jj++) {
-          pairs[numpairs][0] = i;
-          pairs[numpairs][1] = jj;
-          pairs[numpairs][2] = -1;
-          numpairs++;
-        }
-      }
-    }
-
-    int ielem;
-    int jj,k,jnum,jtype,ninside;
-    double delx,dely,delz,evdwl,rsq;
-    double fij[3];
-    int *jlist,*numneigh,**firstneigh;
-    evdwl = 0.0;
-
-#if defined(_OPENMP)
-#pragma omp master
-#endif
-    {
-      if (eflag || vflag) ev_setup(eflag,vflag);
-      else evflag = vflag_fdotr = 0;
-    }
-
-#if defined(_OPENMP)
-#pragma omp barrier
-    { ; }
-#endif
-
-    double **x = atom->x;
-    double **f = atom->f;
-    int *type = atom->type;
-    int nlocal = atom->nlocal;
-    int newton_pair = force->newton_pair;
-
-    numneigh = list->numneigh;
-    firstneigh = list->firstneigh;
-
-#ifdef TIMING_INFO
-    // only update micro timers after setup
-    static int count=0;
-    if (count<2) {
-      sna[tid]->timers[0] = 0;
-      sna[tid]->timers[1] = 0;
-      sna[tid]->timers[2] = 0;
-      sna[tid]->timers[3] = 0;
-      sna[tid]->timers[4] = 0;
-    }
-    count++;
-#endif
-
-    // did thread start working on interactions of new atom
-    int iold = -1;
-
-    double starttime, endtime;
-    if (time_dynamic || time_guided)
-      starttime = MPI_Wtime();
-
-#if defined(_OPENMP)
-#pragma omp for schedule(runtime)
-#endif
-    for (int iijj = 0; iijj < numpairs; iijj++) {
-      int i = 0;
-      if (use_shared_arrays) {
-        i = i_pairs[iijj][0];
-        if (iold != i) {
-          set_sna_to_shared(tid,i_pairs[iijj][3]);
-          ielem = map[type[i]];
-        }
-        iold = i;
-      } else {
-        i = pairs[iijj][0];
-        if (iold != i) {
-          iold = i;
-          const double xtmp = x[i][0];
-          const double ytmp = x[i][1];
-          const double ztmp = x[i][2];
-          const int itype = type[i];
-          ielem = map[itype];
-          const double radi = radelem[ielem];
-
-          if (i < nlocal) {
-            jlist = firstneigh[i];
-            jnum = numneigh[i];
-          } else {
-            jlist = ghostneighs+ghostfirstneigh[i];
-            jnum = ghostnumneigh[i];
-          }
-
-          // insure rij, inside, wj, and rcutij are of size jnum
-
-          sna[tid]->grow_rij(jnum);
-
-          // rij[][3] = displacements between atom I and those neighbors
-          // inside = indices of neighbors of I within cutoff
-          // wj = weights of neighbors of I within cutoff
-          // rcutij = cutoffs of neighbors of I within cutoff
-          // note Rij sign convention => dU/dRij = dU/dRj = -dU/dRi
-
-          ninside = 0;
-          for (jj = 0; jj < jnum; jj++) {
-            int j = jlist[jj];
-            j &= NEIGHMASK;
-            delx = x[j][0] - xtmp; //unitialised
-            dely = x[j][1] - ytmp;
-            delz = x[j][2] - ztmp;
-            rsq = delx*delx + dely*dely + delz*delz;
-            jtype = type[j];
-            int jelem = map[jtype];
-
-            if (rsq < cutsq[itype][jtype]&&rsq>1e-20) { //unitialised
-              sna[tid]->rij[ninside][0] = delx;
-              sna[tid]->rij[ninside][1] = dely;
-              sna[tid]->rij[ninside][2] = delz;
-              sna[tid]->inside[ninside] = j;
-              sna[tid]->wj[ninside] = wjelem[jelem];
-              sna[tid]->rcutij[ninside] = (radi + radelem[jelem])*rcutfac;
-              ninside++;
-
-              // update index list with inside index
-              pairs[iijj + (jj - pairs[iijj][1])][2] =
-                ninside-1; //unitialised
-            }
-          }
-
-          // compute Ui and Zi for atom I
-
-          sna[tid]->compute_ui(ninside); //unitialised
-          sna[tid]->compute_zi();
-        }
-      }
-      if (quadraticflag) {
-        sna[tid]->compute_bi();
-        sna[tid]->copy_bi2bvec();
-      }
-
-      // for neighbors of I within cutoff:
-      // compute dUi/drj and dBi/drj
-      // Fij = dEi/dRj = -dEi/dRi => add to Fi, subtract from Fj
-
-      // entry into loop if inside index is set
-
-      double* coeffi = coeffelem[ielem];
-
-      if (pairs[iijj][2] >= 0) {
-        jj = pairs[iijj][2];
-        int j = sna[tid]->inside[jj];
-        sna[tid]->compute_duidrj(sna[tid]->rij[jj],
-                                 sna[tid]->wj[jj],sna[tid]->rcutij[jj]);
-
-        sna[tid]->compute_dbidrj();
-        sna[tid]->copy_dbi2dbvec();
-
-        fij[0] = 0.0;
-        fij[1] = 0.0;
-        fij[2] = 0.0;
-
-        // linear contributions
+    i = list->ilist[ii];
+    const int itype = type[i];
+    const int ielem = map[itype];
+    double* coeffi = coeffelem[ielem];
 
-        for (k = 1; k <= ncoeff; k++) {
-          double bgb = coeffi[k];
-          fij[0] += bgb*sna[tid]->dbvec[k-1][0];
-          fij[1] += bgb*sna[tid]->dbvec[k-1][1];
-          fij[2] += bgb*sna[tid]->dbvec[k-1][2];
-        }
+    for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+      beta[ii][icoeff] = coeffi[icoeff+1];
 
-      // quadratic contributions
-
-      if (quadraticflag) {
-        int k = ncoeff+1;
-        for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-          double bveci = sna[tid]->bvec[icoeff];
-          double fack = coeffi[k]*bveci;
-          double* dbveci = sna[tid]->dbvec[icoeff];
-          fij[0] += fack*sna[tid]->dbvec[icoeff][0];
-          fij[1] += fack*sna[tid]->dbvec[icoeff][1];
-          fij[2] += fack*sna[tid]->dbvec[icoeff][2];
+    if (quadraticflag) {
+      int k = ncoeff+1;
+      for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
+        double bveci = bispectrum[ii][icoeff];
+        beta[ii][icoeff] += coeffi[k]*bveci;
+        k++;
+        for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
+          double bvecj = bispectrum[ii][jcoeff];
+          beta[ii][icoeff] += coeffi[k]*bvecj;
+          beta[ii][jcoeff] += coeffi[k]*bveci;
           k++;
-          for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-            double facki = coeffi[k]*bveci;
-            double fackj = coeffi[k]*sna[tid]->bvec[jcoeff];
-            double* dbvecj = sna[tid]->dbvec[jcoeff];
-            fij[0] += facki*dbvecj[0]+fackj*dbveci[0];
-            fij[1] += facki*dbvecj[1]+fackj*dbveci[1];
-            fij[2] += facki*dbvecj[2]+fackj*dbveci[2];
-            k++;
-          }
-        }
-      }
-
-#if defined(_OPENMP)
-#pragma omp critical
-#endif
-        {
-          f[i][0] += fij[0];
-          f[i][1] += fij[1];
-          f[i][2] += fij[2];
-          f[j][0] -= fij[0];
-          f[j][1] -= fij[1];
-          f[j][2] -= fij[2];
-
-          // tally per-atom virial contribution
-
-          if (vflag)
-            ev_tally_xyz(i,j,nlocal,newton_pair,0.0,0.0,
-                         fij[0],fij[1],fij[2],
-                         -sna[tid]->rij[jj][0],-sna[tid]->rij[jj][1],
-                         -sna[tid]->rij[jj][2]);
         }
       }
-
-      // evdwl = energy of atom I, sum over coeffs_k * Bi_k
-      // only call this for first pair of each atom i
-      // if atom has no pairs, eatom=0, which is wrong
-
-      if (eflag&&pairs[iijj][1] == 0) {
-        evdwl = coeffi[0];
-
-        if (!quadraticflag) {
-          sna[tid]->compute_bi();
-          sna[tid]->copy_bi2bvec();
-        }
-
-        // E = beta.B + 0.5*B^t.alpha.B
-        // coeff[k] = beta[k-1] or
-        // coeff[k] = alpha_ii or
-        // coeff[k] = alpha_ij = alpha_ji, j != i
-
-        // linear contributions
-
-        for (int k = 1; k <= ncoeff; k++)
-          evdwl += coeffi[k]*sna[tid]->bvec[k-1];
-
-        // quadratic contributions
-
-        if (quadraticflag) {
-          int k = ncoeff+1;
-          for (int icoeff = 0; icoeff < ncoeff; icoeff++) {
-            double bveci = sna[tid]->bvec[icoeff];
-            evdwl += 0.5*coeffi[k++]*bveci*bveci;
-            for (int jcoeff = icoeff+1; jcoeff < ncoeff; jcoeff++) {
-              evdwl += coeffi[k++]*bveci*sna[tid]->bvec[jcoeff];
-            }
-          }
-        }
-
-#if defined(_OPENMP)
-#pragma omp critical
-#endif
-        ev_tally_full(i,2.0*evdwl,0.0,0.0,0.0,0.0,0.0);
-      }
-
     }
-    if (time_dynamic || time_guided)
-      endtime = MPI_Wtime();
-    if (time_dynamic) schedule_time_dynamic = endtime - starttime;
-    if (time_guided) schedule_time_guided = endtime - starttime;
-    if (!use_shared_arrays) memory->destroy(pairs);
-
-  }// end of pragma omp parallel
-
-  if (vflag_fdotr) virial_fdotr_compute();
-
-}
-
-inline int PairSNAP::equal(double* x,double* y)
-{
-  double dist2 =
-    (x[0]-y[0])*(x[0]-y[0]) +
-    (x[1]-y[1])*(x[1]-y[1]) +
-    (x[2]-y[2])*(x[2]-y[2]);
-  if (dist2 < 1e-20) return 1;
-  return 0;
-}
-
-inline double PairSNAP::dist2(double* x,double* y)
-{
-  return
-    (x[0]-y[0])*(x[0]-y[0]) +
-    (x[1]-y[1])*(x[1]-y[1]) +
-    (x[2]-y[2])*(x[2]-y[2]);
-}
-
-// return extra communication cutoff
-// extra_cutoff = max(subdomain_length)
-
-double PairSNAP::extra_cutoff()
-{
-  double sublo[3],subhi[3];
-
-  if (domain->triclinic == 0) {
-    for (int dim = 0 ; dim < 3 ; dim++) {
-      sublo[dim] = domain->sublo[dim];
-      subhi[dim] = domain->subhi[dim];
-    }
-  } else {
-    domain->lamda2x(domain->sublo_lamda,sublo);
-    domain->lamda2x(domain->subhi_lamda,subhi);
   }
-
-  double sub_size[3];
-  for (int dim = 0; dim < 3; dim++)
-    sub_size[dim] = subhi[dim] - sublo[dim];
-
-  double max_sub_size = 0;
-  for (int dim = 0; dim < 3; dim++)
-    max_sub_size = MAX(max_sub_size,sub_size[dim]);
-
-  // note: for triclinic, probably need something different
-  // see Comm::setup()
-
-  return max_sub_size;
 }
 
-// micro load_balancer: each MPI process will
-// check with each of its 26 neighbors,
-// whether an imbalance exists in the number
-// of atoms to calculate forces for.
-// If it does it will set ilistmask of one of
-// its local atoms to zero, and send its Tag
-// to the neighbor process. The neighboring process
-// will check its ghost list for the
-// ghost atom with the same Tag which is closest
-// to its domain center, and build a
-// neighborlist for this ghost atom. For this to work,
-// the communication cutoff has to be
-// as large as the neighbor cutoff +
-// maximum subdomain length.
-
-// Note that at most one atom is exchanged per processor pair.
-
-// Also note that the local atom assignment
-// doesn't change. This load balancer will cause
-// some ghost atoms to have full neighborlists
-// which are unique to PairSNAP.
-// They are not part of the generally accessible neighborlist.
-// At the same time corresponding local atoms on
-// other MPI processes will not be
-// included in the force computation since
-// their ilistmask is 0. This does not effect
-// any other classes which might
-// access the same general neighborlist.
-// Reverse communication (newton on) of forces is required.
-
-// Currently the load balancer does two passes,
-// since its exchanging atoms upstream and downstream.
-
-void PairSNAP::load_balance()
-{
-  double sublo[3],subhi[3];
-  if (domain->triclinic == 0) {
-    double* sublotmp = domain->sublo;
-    double* subhitmp = domain->subhi;
-    for (int dim = 0 ; dim<3 ; dim++) {
-      sublo[dim]=sublotmp[dim];
-      subhi[dim]=subhitmp[dim];
-    }
-  } else {
-    double* sublotmp = domain->sublo_lamda;
-    double* subhitmp = domain->subhi_lamda;
-    domain->lamda2x(sublotmp,sublo);
-    domain->lamda2x(subhitmp,subhi);
-  }
-
-  //if (list->inum==0) list->grow(atom->nmax);
-
-  int nlocal = ghostinum;
-  for (int i=0; i < list->inum; i++)
-    if (ilistmask[i]) nlocal++;
-  int ***grid2proc = comm->grid2proc;
-  int* procgrid = comm->procgrid;
-
-  int nlocal_up,nlocal_down;
-  MPI_Request request;
-
-  double sub_mid[3];
-  for (int dim=0; dim<3; dim++)
-    sub_mid[dim] = (subhi[dim] + sublo[dim])/2;
-
-  if (comm->cutghostuser <
-      neighbor->cutneighmax+extra_cutoff())
-    error->all(FLERR,"Communication cutoff too small for SNAP micro load balancing");
-
-  int nrecv = ghostinum;
-  int totalsend = 0;
-  int nsend = 0;
-  int depth = 1;
-
-  for (int dx = -depth; dx < depth+1; dx++)
-    for (int dy = -depth; dy < depth+1; dy++)
-      for (int dz = -depth; dz < depth+1; dz++) {
-
-        if (dx == dy && dy == dz && dz == 0) continue;
-
-        int sendloc[3] = {comm->myloc[0],
-                          comm->myloc[1], comm->myloc[2]
-                         };
-        sendloc[0] += dx;
-        sendloc[1] += dy;
-        sendloc[2] += dz;
-        for (int dim = 0; dim < 3; dim++)
-          if (sendloc[dim] >= procgrid[dim])
-            sendloc[dim] = sendloc[dim] - procgrid[dim];
-        for (int dim = 0; dim < 3; dim++)
-          if (sendloc[dim] < 0)
-            sendloc[dim] = procgrid[dim] + sendloc[dim];
-        int recvloc[3] = {comm->myloc[0],
-                          comm->myloc[1], comm->myloc[2]
-                         };
-        recvloc[0] -= dx;
-        recvloc[1] -= dy;
-        recvloc[2] -= dz;
-        for (int dim = 0; dim < 3; dim++)
-          if (recvloc[dim] < 0)
-            recvloc[dim] = procgrid[dim] + recvloc[dim];
-        for (int dim = 0; dim < 3; dim++)
-          if (recvloc[dim] >= procgrid[dim])
-            recvloc[dim] = recvloc[dim] - procgrid[dim];
-
-        int sendproc = grid2proc[sendloc[0]][sendloc[1]][sendloc[2]];
-        int recvproc = grid2proc[recvloc[0]][recvloc[1]][recvloc[2]];
-
-        // two stage process, first upstream movement, then downstream
-
-        MPI_Sendrecv(&nlocal,1,MPI_INT,sendproc,0,
-                     &nlocal_up,1,MPI_INT,recvproc,0,world,MPI_STATUS_IGNORE);
-        MPI_Sendrecv(&nlocal,1,MPI_INT,recvproc,0,
-                     &nlocal_down,1,MPI_INT,sendproc,0,world,MPI_STATUS_IGNORE);
-        nsend = 0;
-
-        // send upstream
-
-        if (nlocal > nlocal_up+1) {
-
-          int i = totalsend++;
-          while(i < list->inum && ilistmask[i] == 0)
-            i = totalsend++;
-
-          if (i < list->inum)
-            MPI_Isend(&atom->tag[i],1,MPI_INT,recvproc,0,world,&request);
-          else {
-            int j = -1;
-            MPI_Isend(&j,1,MPI_INT,recvproc,0,world,&request);
-          }
-
-          if (i < list->inum) {
-            for (int j = 0; j < list->inum; j++)
-              if (list->ilist[j] == i)
-                ilistmask[j] = 0;
-            nsend = 1;
-          }
-        }
-
-        // recv downstream
-
-        if (nlocal < nlocal_down-1) {
-          nlocal++;
-          int get_tag = -1;
-          MPI_Recv(&get_tag,1,MPI_INT,sendproc,0,world,MPI_STATUS_IGNORE);
-
-          // if get_tag -1 the other process didnt have local atoms to send
-
-          if (get_tag >= 0) {
-            if (ghostinum >= ghostilist_max) {
-              memory->grow(ghostilist,ghostinum+10,
-                           "PairSnap::ghostilist");
-              ghostilist_max = ghostinum+10;
-            }
-            if (atom->nlocal + atom->nghost >= ghostnumneigh_max) {
-              ghostnumneigh_max = atom->nlocal+atom->nghost+100;
-              memory->grow(ghostnumneigh,ghostnumneigh_max,
-                           "PairSnap::ghostnumneigh");
-              memory->grow(ghostfirstneigh,ghostnumneigh_max,
-                           "PairSnap::ghostfirstneigh");
-            }
-
-            // find closest ghost image of the transfered particle
-
-            double mindist = 1e200;
-            int closestghost = -1;
-            for (int j = 0; j < atom->nlocal + atom->nghost; j++)
-              if (atom->tag[j] == get_tag)
-                if (dist2(sub_mid, atom->x[j]) < mindist) {
-                  closestghost = j;
-                  mindist = dist2(sub_mid, atom->x[j]);
-                }
-
-            // build neighborlist for this particular
-            // ghost atom, and add it to list->ilist
-
-            if (ghostneighs_max - ghostneighs_total <
-                neighbor->oneatom) {
-              memory->grow(ghostneighs,
-                           ghostneighs_total + neighbor->oneatom,
-                           "PairSnap::ghostneighs");
-              ghostneighs_max = ghostneighs_total + neighbor->oneatom;
-            }
-
-            int j = closestghost;
-
-            ghostilist[ghostinum] = j;
-            ghostnumneigh[j] = 0;
-            ghostfirstneigh[j] = ghostneighs_total;
-
-            ghostinum++;
-            int* jlist = ghostneighs + ghostfirstneigh[j];
-
-            // find all neighbors by looping
-            // over all local and ghost atoms
-
-            for (int k = 0; k < atom->nlocal + atom->nghost; k++)
-              if (dist2(atom->x[j],atom->x[k]) <
-                  neighbor->cutneighmax*neighbor->cutneighmax) {
-                jlist[ghostnumneigh[j]] = k;
-                ghostnumneigh[j]++;
-                ghostneighs_total++;
-              }
-          }
-
-          if (get_tag >= 0) nrecv++;
-        }
-
-        // decrease nlocal later, so that it is the
-        // initial number both for receiving and sending
-
-        if (nsend) nlocal--;
-
-        // second pass through the grid
-
-        MPI_Sendrecv(&nlocal,1,MPI_INT,sendproc,0,
-                     &nlocal_up,1,MPI_INT,recvproc,0,world,MPI_STATUS_IGNORE);
-        MPI_Sendrecv(&nlocal,1,MPI_INT,recvproc,0,
-                     &nlocal_down,1,MPI_INT,sendproc,0,world,MPI_STATUS_IGNORE);
-
-        // send downstream
-
-        nsend=0;
-        if (nlocal > nlocal_down+1) {
-          int i = totalsend++;
-          while(i < list->inum && ilistmask[i]==0) i = totalsend++;
-
-          if (i < list->inum)
-            MPI_Isend(&atom->tag[i],1,MPI_INT,sendproc,0,world,&request);
-          else {
-            int j =- 1;
-            MPI_Isend(&j,1,MPI_INT,sendproc,0,world,&request);
-          }
-
-          if (i < list->inum) {
-            for (int j=0; j<list->inum; j++)
-              if (list->ilist[j] == i) ilistmask[j] = 0;
-            nsend = 1;
-          }
-        }
-
-        // receive upstream
-
-        if (nlocal < nlocal_up-1) {
-          nlocal++;
-          int get_tag = -1;
-
-          MPI_Recv(&get_tag,1,MPI_INT,recvproc,0,world,MPI_STATUS_IGNORE);
-
-          if (get_tag >= 0) {
-            if (ghostinum >= ghostilist_max) {
-              memory->grow(ghostilist,ghostinum+10,
-                           "PairSnap::ghostilist");
-              ghostilist_max = ghostinum+10;
-            }
-            if (atom->nlocal + atom->nghost >= ghostnumneigh_max) {
-              ghostnumneigh_max = atom->nlocal + atom->nghost + 100;
-              memory->grow(ghostnumneigh,ghostnumneigh_max,
-                           "PairSnap::ghostnumneigh");
-              memory->grow(ghostfirstneigh,ghostnumneigh_max,
-                           "PairSnap::ghostfirstneigh");
-            }
-
-            // find closest ghost image of the transfered particle
-
-            double mindist = 1e200;
-            int closestghost = -1;
-            for (int j = 0; j < atom->nlocal + atom->nghost; j++)
-              if (atom->tag[j] == get_tag)
-                if (dist2(sub_mid,atom->x[j])<mindist) {
-                  closestghost = j;
-                  mindist = dist2(sub_mid,atom->x[j]);
-                }
-
-            // build neighborlist for this particular ghost atom
-
-            if (ghostneighs_max-ghostneighs_total < neighbor->oneatom) {
-              memory->grow(ghostneighs,ghostneighs_total + neighbor->oneatom,
-                           "PairSnap::ghostneighs");
-              ghostneighs_max = ghostneighs_total + neighbor->oneatom;
-            }
-
-            int j = closestghost;
-
-            ghostilist[ghostinum] = j;
-            ghostnumneigh[j] = 0;
-            ghostfirstneigh[j] = ghostneighs_total;
-
-            ghostinum++;
-            int* jlist = ghostneighs + ghostfirstneigh[j];
-
-            for (int k = 0; k < atom->nlocal + atom->nghost; k++)
-              if (dist2(atom->x[j],atom->x[k]) <
-                  neighbor->cutneighmax*neighbor->cutneighmax) {
-                jlist[ghostnumneigh[j]] = k;
-                ghostnumneigh[j]++;
-                ghostneighs_total++;
-              }
-          }
-
-          if (get_tag >= 0) nrecv++;
-        }
-        if (nsend) nlocal--;
-      }
-}
-
-void PairSNAP::set_sna_to_shared(int snaid,int i)
-{
-  sna[snaid]->rij = i_rij[i];
-  sna[snaid]->inside = i_inside[i];
-  sna[snaid]->wj = i_wj[i];
-  sna[snaid]->rcutij = i_rcutij[i];
-  sna[snaid]->zarray_r = i_zarray_r[i];
-  sna[snaid]->zarray_i = i_zarray_i[i];
-  sna[snaid]->uarraytot_r = i_uarraytot_r[i];
-  sna[snaid]->uarraytot_i = i_uarraytot_i[i];
-}
+/* ----------------------------------------------------------------------
+   compute bispectrum
+------------------------------------------------------------------------- */
 
-void PairSNAP::build_per_atom_arrays()
+void PairSNAP::compute_bispectrum()
 {
+  int i,j,jnum,ninside;
+  double delx,dely,delz,rsq;
+  int *jlist,*numneigh,**firstneigh;
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&starttime);
-#endif
-
-  int count = 0;
-  int neighmax = 0;
-  for (int ii = 0; ii < list->inum; ii++)
-    if ((do_load_balance <= 0) || ilistmask[ii]) {
-      neighmax=MAX(neighmax,list->numneigh[list->ilist[ii]]);
-      ++count;
-    }
-  for (int ii = 0; ii < ghostinum; ii++) {
-    neighmax=MAX(neighmax,ghostnumneigh[ghostilist[ii]]);
-    ++count;
-  }
+  double **x = atom->x;
+  int *type = atom->type;
 
-  if (i_max < count || i_neighmax < neighmax) {
-    int i_maxt = MAX(count,i_max);
-    i_neighmax = MAX(neighmax,i_neighmax);
-    memory->destroy(i_rij);
-    memory->destroy(i_inside);
-    memory->destroy(i_wj);
-    memory->destroy(i_rcutij);
-    memory->destroy(i_ninside);
-    memory->destroy(i_pairs);
-    memory->create(i_rij,i_maxt,i_neighmax,3,"PairSNAP::i_rij");
-    memory->create(i_inside,i_maxt,i_neighmax,"PairSNAP::i_inside");
-    memory->create(i_wj,i_maxt,i_neighmax,"PairSNAP::i_wj");
-    memory->create(i_rcutij,i_maxt,i_neighmax,"PairSNAP::i_rcutij");
-    memory->create(i_ninside,i_maxt,"PairSNAP::i_ninside");
-    memory->create(i_pairs,i_maxt*i_neighmax,4,"PairSNAP::i_pairs");
-  }
+  for (int ii = 0; ii < list->inum; ii++) {
+    i = list->ilist[ii];
 
-  if (i_max < count) {
-    int jdim = sna[0]->twojmax+1;
-    memory->destroy(i_uarraytot_r);
-    memory->destroy(i_uarraytot_i);
-    memory->create(i_uarraytot_r,count,jdim,jdim,jdim,
-                   "PairSNAP::i_uarraytot_r");
-    memory->create(i_uarraytot_i,count,jdim,jdim,jdim,
-                   "PairSNAP::i_uarraytot_i");
-    if (i_zarray_r != NULL)
-      for (int i = 0; i < i_max; i++) {
-        memory->destroy(i_zarray_r[i]);
-        memory->destroy(i_zarray_i[i]);
-      }
+    const double xtmp = x[i][0];
+    const double ytmp = x[i][1];
+    const double ztmp = x[i][2];
+    const int itype = type[i];
+    const int ielem = map[itype];
+    const double radi = radelem[ielem];
 
-    delete [] i_zarray_r;
-    delete [] i_zarray_i;
-    i_zarray_r = new double*****[count];
-    i_zarray_i = new double*****[count];
-    for (int i = 0; i < count; i++) {
-      memory->create(i_zarray_r[i],jdim,jdim,jdim,jdim,jdim,
-                     "PairSNAP::i_zarray_r");
-      memory->create(i_zarray_i[i],jdim,jdim,jdim,jdim,jdim,
-                     "PairSNAP::i_zarray_i");
-    }
-  }
+    jlist = list->firstneigh[i];
+    jnum = list->numneigh[i];
 
-  if (i_max < count)
-    i_max = count;
+    // insure rij, inside, wj, and rcutij are of size jnum
 
-  count = 0;
-  i_numpairs = 0;
-  for (int ii = 0; ii < list->inum; ii++) {
-    if ((do_load_balance <= 0) || ilistmask[ii]) {
-      int i = list->ilist[ii];
-      int jnum = list->numneigh[i];
-      int* jlist = list->firstneigh[i];
-      const double xtmp = atom->x[i][0];
-      const double ytmp = atom->x[i][1];
-      const double ztmp = atom->x[i][2];
-      const int itype = atom->type[i];
-      const int ielem = map[itype];
-      const double radi = radelem[ielem];
-      int ninside = 0;
-      for (int jj = 0; jj < jnum; jj++) {
-        int j = jlist[jj];
-        j &= NEIGHMASK;
-        const double delx = atom->x[j][0] - xtmp;
-        const double dely = atom->x[j][1] - ytmp;
-        const double delz = atom->x[j][2] - ztmp;
-        const double rsq = delx*delx + dely*dely + delz*delz;
-        int jtype = atom->type[j];
-        int jelem = map[jtype];
-
-        i_pairs[i_numpairs][0] = i;
-        i_pairs[i_numpairs][1] = jj;
-        i_pairs[i_numpairs][2] = -1;
-        i_pairs[i_numpairs][3] = count;
-        if (rsq < cutsq[itype][jtype]&&rsq>1e-20) {
-          i_rij[count][ninside][0] = delx;
-          i_rij[count][ninside][1] = dely;
-          i_rij[count][ninside][2] = delz;
-          i_inside[count][ninside] = j;
-          i_wj[count][ninside] = wjelem[jelem];
-          i_rcutij[count][ninside] = (radi + radelem[jelem])*rcutfac;
-
-          // update index list with inside index
-          i_pairs[i_numpairs][2] = ninside++;
-        }
-        i_numpairs++;
-      }
-      i_ninside[count] = ninside;
-      count++;
-    }
-  }
+    snaptr->grow_rij(jnum);
 
-  for (int ii = 0; ii < ghostinum; ii++) {
-    int i = ghostilist[ii];
-    int jnum = ghostnumneigh[i];
-    int* jlist = ghostneighs+ghostfirstneigh[i];
-    const double xtmp = atom->x[i][0];
-    const double ytmp = atom->x[i][1];
-    const double ztmp = atom->x[i][2];
-    const int itype = atom->type[i];
-    const int ielem = map[itype];
-    const double radi = radelem[ielem];
-    int ninside = 0;
+    // rij[][3] = displacements between atom I and those neighbors
+    // inside = indices of neighbors of I within cutoff
+    // wj = weights for neighbors of I within cutoff
+    // rcutij = cutoffs for neighbors of I within cutoff
+    // note Rij sign convention => dU/dRij = dU/dRj = -dU/dRi
 
+    ninside = 0;
     for (int jj = 0; jj < jnum; jj++) {
-      int j = jlist[jj];
+      j = jlist[jj];
       j &= NEIGHMASK;
-      const double delx = atom->x[j][0] - xtmp;
-      const double dely = atom->x[j][1] - ytmp;
-      const double delz = atom->x[j][2] - ztmp;
-      const double rsq = delx*delx + dely*dely + delz*delz;
-      int jtype = atom->type[j];
+      delx = x[j][0] - xtmp;
+      dely = x[j][1] - ytmp;
+      delz = x[j][2] - ztmp;
+      rsq = delx*delx + dely*dely + delz*delz;
+      int jtype = type[j];
       int jelem = map[jtype];
 
-      i_pairs[i_numpairs][0] = i;
-      i_pairs[i_numpairs][1] = jj;
-      i_pairs[i_numpairs][2] = -1;
-      i_pairs[i_numpairs][3] = count;
       if (rsq < cutsq[itype][jtype]&&rsq>1e-20) {
-        i_rij[count][ninside][0] = delx;
-        i_rij[count][ninside][1] = dely;
-        i_rij[count][ninside][2] = delz;
-        i_inside[count][ninside] = j;
-        i_wj[count][ninside] = wjelem[jelem];
-        i_rcutij[count][ninside] = (radi + radelem[jelem])*rcutfac;
-        // update index list with inside index
-        i_pairs[i_numpairs][2] = ninside++;
+        snaptr->rij[ninside][0] = delx;
+        snaptr->rij[ninside][1] = dely;
+        snaptr->rij[ninside][2] = delz;
+        snaptr->inside[ninside] = j;
+        snaptr->wj[ninside] = wjelem[jelem];
+        snaptr->rcutij[ninside] = (radi + radelem[jelem])*rcutfac;
+        ninside++;
       }
-      i_numpairs++;
     }
-    i_ninside[count] = ninside;
-    count++;
-  }
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&endtime);
-  timers[0]+=(endtime.tv_sec-starttime.tv_sec+1.0*
-              (endtime.tv_nsec-starttime.tv_nsec)/1000000000);
-#endif
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&starttime);
-#endif
-
-#if defined(_OPENMP)
-#pragma omp parallel for shared(count) default(none)
-#endif
-  for (int ii=0; ii < count; ii++) {
-    int tid = omp_get_thread_num();
-    set_sna_to_shared(tid,ii);
-    //sna[tid]->compute_ui(i_ninside[ii]);
-#ifdef TIMING_INFO
-    clock_gettime(CLOCK_REALTIME,&starttime);
-#endif
-    sna[tid]->compute_ui_omp(i_ninside[ii],MAX(int(nthreads/count),1));
-#ifdef TIMING_INFO
-    clock_gettime(CLOCK_REALTIME,&endtime);
-    sna[tid]->timers[0]+=(endtime.tv_sec-starttime.tv_sec+1.0*
-                          (endtime.tv_nsec-starttime.tv_nsec)/1000000000);
-#endif
-  }
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&starttime);
-#endif
-  for (int ii=0; ii < count; ii++) {
-    int tid = 0;//omp_get_thread_num();
-    set_sna_to_shared(tid,ii);
-    sna[tid]->compute_zi_omp(MAX(int(nthreads/count),1));
+    snaptr->compute_ui(ninside);
+    snaptr->compute_zi();
+    snaptr->compute_bi();
+
+    for (int icoeff = 0; icoeff < ncoeff; icoeff++)
+      bispectrum[ii][icoeff] = snaptr->blist[icoeff];
   }
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&endtime);
-  sna[0]->timers[1]+=(endtime.tv_sec-starttime.tv_sec+1.0*
-                      (endtime.tv_nsec-starttime.tv_nsec)/1000000000);
-#endif
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME,&endtime);
-  timers[1]+=(endtime.tv_sec-starttime.tv_sec+1.0*
-              (endtime.tv_nsec-starttime.tv_nsec)/1000000000);
-#endif
 }
 
 /* ----------------------------------------------------------------------
@@ -1318,96 +355,8 @@ void PairSNAP::allocate()
 
 void PairSNAP::settings(int narg, char **arg)
 {
-
-  // set default values for optional arguments
-
-  nthreads = -1;
-  use_shared_arrays=-1;
-  do_load_balance = 0;
-  use_optimized = 1;
-
-  // optional arguments
-
-  for (int i=0; i < narg; i++) {
-    if (i+2>narg) error->all(FLERR,"Illegal pair_style command");
-    if (strcmp(arg[i],"nthreads")==0) {
-      nthreads=force->inumeric(FLERR,arg[++i]);
-#if defined(LMP_USER_OMP)
-      error->all(FLERR,"Must set number of threads via package omp command");
-#else
-      omp_set_num_threads(nthreads);
-      comm->nthreads=nthreads;
-#endif
-      continue;
-    }
-    if (strcmp(arg[i],"optimized")==0) {
-      use_optimized=force->inumeric(FLERR,arg[++i]);
-      continue;
-    }
-    if (strcmp(arg[i],"shared")==0) {
-      use_shared_arrays=force->inumeric(FLERR,arg[++i]);
-      continue;
-    }
-    if (strcmp(arg[i],"loadbalance")==0) {
-      do_load_balance = force->inumeric(FLERR,arg[++i]);
-      if (do_load_balance) {
-        double mincutoff = extra_cutoff() +
-          rcutmax + neighbor->skin;
-        if (comm->cutghostuser < mincutoff) {
-          char buffer[255];
-
-          //apparently mincutoff is 0 after sprintf command ?????
-
-          double tmp = mincutoff + 0.1;
-          sprintf(buffer, "Communication cutoff is too small "
-                  "for SNAP micro load balancing, increased to %lf",
-                  mincutoff+0.1);
-          if (comm->me==0)
-            error->warning(FLERR,buffer);
-
-          comm->cutghostuser = tmp;
-
-        }
-      }
-      continue;
-    }
-    if (strcmp(arg[i],"schedule")==0) {
-      i++;
-      if (strcmp(arg[i],"static")==0)
-        schedule_user = 1;
-      if (strcmp(arg[i],"dynamic")==0)
-        schedule_user = 2;
-      if (strcmp(arg[i],"guided")==0)
-        schedule_user = 3;
-      if (strcmp(arg[i],"auto")==0)
-        schedule_user = 4;
-      if (strcmp(arg[i],"determine")==0)
-        schedule_user = 5;
-      if (schedule_user == 0)
-        error->all(FLERR,"Illegal pair_style command");
-      continue;
-    }
+  for (int i=0; i < narg; i++)
     error->all(FLERR,"Illegal pair_style command");
-  }
-
-  if (nthreads < 0)
-    nthreads = comm->nthreads;
-
-  if (use_shared_arrays < 0) {
-    if (nthreads > 1 && atom->nlocal <= 2*nthreads)
-      use_shared_arrays = 1;
-    else use_shared_arrays = 0;
-  }
-
-  // check if running non-optimized code with
-  // optimization flags set
-
-  if (!use_optimized)
-    if (nthreads > 1 ||
-        use_shared_arrays ||
-        do_load_balance ||
-        schedule_user)
-      error->all(FLERR,"Illegal pair_style command");
 }
 
 /* ----------------------------------------------------------------------
@@ -1495,26 +444,12 @@ void PairSNAP::coeff(int narg, char **arg)
 
   if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 
-  sna = new SNA*[nthreads];
-
-  // allocate memory for per OpenMP thread data which
-  // is wrapped into the sna class
-
-#if defined(_OPENMP)
-#pragma omp parallel default(none)
-#endif
-  {
-    int tid = omp_get_thread_num();
-    sna[tid] = new SNA(lmp,rfac0,twojmax,
-                       diagonalstyle,use_shared_arrays,
-                       rmin0,switchflag,bzeroflag);
-    if (!use_shared_arrays)
-      sna[tid]->grow_rij(nmax);
-  }
+  snaptr = new SNA(lmp,rfac0,twojmax,
+                   rmin0,switchflag,bzeroflag);
 
-  if (ncoeff != sna[0]->ncoeff) {
+  if (ncoeff != snaptr->ncoeff) {
     if (comm->me == 0)
-      printf("ncoeff = %d snancoeff = %d \n",ncoeff,sna[0]->ncoeff);
+      printf("ncoeff = %d snancoeff = %d \n",ncoeff,snaptr->ncoeff);
     error->all(FLERR,"Incorrect SNAP parameter file");
   }
 
@@ -1541,13 +476,7 @@ void PairSNAP::init_style()
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
 
-#if defined(_OPENMP)
-#pragma omp parallel default(none)
-#endif
-  {
-    int tid = omp_get_thread_num();
-    sna[tid]->init();
-  }
+  snaptr->init();
 
 }
 
@@ -1695,6 +624,8 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
     }
   }
 
+  if (comm->me == 0) fclose(fpcoeff);
+
   // set flags for required keywords
 
   rcutfacflag = 0;
@@ -1704,7 +635,6 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
 
   rfac0 = 0.99363;
   rmin0 = 0.0;
-  diagonalstyle = 3;
   switchflag = 1;
   bzeroflag = 1;
   quadraticflag = 0;
@@ -1765,8 +695,6 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
       rfac0 = atof(keyval);
     else if (strcmp(keywd,"rmin0") == 0)
       rmin0 = atof(keyval);
-    else if (strcmp(keywd,"diagonalstyle") == 0)
-      diagonalstyle = atoi(keyval);
     else if (strcmp(keywd,"switchflag") == 0)
       switchflag = atoi(keyval);
     else if (strcmp(keywd,"bzeroflag") == 0)
@@ -1789,14 +717,16 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
 double PairSNAP::memory_usage()
 {
   double bytes = Pair::memory_usage();
+
   int n = atom->ntypes+1;
-  bytes += n*n*sizeof(int);
-  bytes += n*n*sizeof(double);
-  bytes += 3*nmax*sizeof(double);
-  bytes += nmax*sizeof(int);
-  bytes += (2*ncoeffall)*sizeof(double);
-  bytes += (ncoeff*3)*sizeof(double);
-  bytes += sna[0]->memory_usage()*nthreads;
+  bytes += n*n*sizeof(int);      // setflag
+  bytes += n*n*sizeof(double);   // cutsq
+  bytes += n*sizeof(int);        // map
+  bytes += beta_max*ncoeff*sizeof(double); // bispectrum
+  bytes += beta_max*ncoeff*sizeof(double); // beta
+
+  bytes += snaptr->memory_usage(); // SNA object
+
   return bytes;
 }
 
diff --git a/src/SNAP/pair_snap.h b/src/SNAP/pair_snap.h
index 1fa065755ce13b1000b0b0b8543fd8dc0fa8c752..c64eaa5d4e70cd3745583976002491368a035765 100644
--- a/src/SNAP/pair_snap.h
+++ b/src/SNAP/pair_snap.h
@@ -29,8 +29,6 @@ public:
   PairSNAP(class LAMMPS *);
   ~PairSNAP();
   virtual void compute(int, int);
-  void compute_regular(int, int);
-  void compute_optimized(int, int);
   void settings(int, char **);
   virtual void coeff(int, char **);
   virtual void init_style();
@@ -42,56 +40,14 @@ public:
 
 protected:
   int ncoeffq, ncoeffall;
-  double **bvec, ***dbvec;
-  class SNA** sna;
-  int nmax;
-  int nthreads;
+  class SNA* snaptr;
   virtual void allocate();
   void read_files(char *, char *);
   inline int equal(double* x,double* y);
   inline double dist2(double* x,double* y);
-  double extra_cutoff();
-  void load_balance();
-  void set_sna_to_shared(int snaid,int i);
-  void build_per_atom_arrays();
-
-  int schedule_user;
-  double schedule_time_guided;
-  double schedule_time_dynamic;
-
-  int ncalls_neigh;
-  int do_load_balance;
-  int ilistmask_max;
-  int* ilistmask;
-  int ghostinum;
-  int ghostilist_max;
-  int* ghostilist;
-  int ghostnumneigh_max;
-  int* ghostnumneigh;
-  int* ghostneighs;
-  int* ghostfirstneigh;
-  int ghostneighs_total;
-  int ghostneighs_max;
-
-  int use_optimized;
-  int use_shared_arrays;
-
-  int i_max;
-  int i_neighmax;
-  int i_numpairs;
-  int **i_pairs;
-  double ***i_rij;
-  int **i_inside;
-  double **i_wj;
-  double **i_rcutij;
-  int *i_ninside;
-  double ****i_uarraytot_r, ****i_uarraytot_i;
-  double ******i_zarray_r, ******i_zarray_i;
-
-#ifdef TIMING_INFO
-  //  timespec starttime, endtime;
-  double timers[4];
-#endif
+
+  void compute_beta();
+  void compute_bispectrum();
 
   double rcutmax;               // max cutoff for all elements
   int nelements;                // # of unique elements
@@ -99,10 +55,13 @@ protected:
   double *radelem;              // element radii
   double *wjelem;               // elements weights
   double **coeffelem;           // element bispectrum coefficients
+  double** beta;                // betas for all atoms in list
+  double** bispectrum;          // bispectrum components for all atoms in list
   int *map;                     // mapping from atom types to elements
-  int twojmax, diagonalstyle, switchflag, bzeroflag;
+  int twojmax, switchflag, bzeroflag;
   double rfac0, rmin0, wj1, wj2;
   int rcutfacflag, twojmaxflag; // flags for required parameters
+  int beta_max;                 // length of beta
 };
 
 }
@@ -124,15 +83,6 @@ Self-explanatory.  Check the input script syntax and compare to the
 documentation for the command.  You can use -echo screen as a
 command-line option when running LAMMPS to see the offending line.
 
-E: Must set number of threads via package omp command
-
-Because you are using the USER-OMP package, set the number of threads
-via its settings, not by the pair_style snap nthreads setting.
-
-W: Communication cutoff is too small for SNAP micro load balancing, increased to %lf
-
-Self-explanatory.
-
 E: Incorrect args for pair coefficients
 
 Self-explanatory.  Check the input script or data file.
diff --git a/src/SNAP/sna.cpp b/src/SNAP/sna.cpp
index 7ed1bc1e23e25aa12db502152fd5d37b9fac9494..985110bdee3747f6d86ab95536ed9c1c2dca8ab0 100644
--- a/src/SNAP/sna.cpp
+++ b/src/SNAP/sna.cpp
@@ -21,7 +21,6 @@
 #include "math_extra.h"
 #include <cstring>
 #include <cstdlib>
-#include "openmp_snap.h"
 
 #include "memory.h"
 #include "error.h"
@@ -114,34 +113,32 @@ using namespace MathConst;
 ------------------------------------------------------------------------- */
 
 SNA::SNA(LAMMPS* lmp, double rfac0_in,
-         int twojmax_in, int diagonalstyle_in, int use_shared_arrays_in,
+         int twojmax_in,
          double rmin0_in, int switch_flag_in, int bzero_flag_in) : Pointers(lmp)
 {
   wself = 1.0;
 
-  use_shared_arrays = use_shared_arrays_in;
   rfac0 = rfac0_in;
   rmin0 = rmin0_in;
   switch_flag = switch_flag_in;
   bzero_flag = bzero_flag_in;
 
   twojmax = twojmax_in;
-  diagonalstyle = diagonalstyle_in;
 
   ncoeff = compute_ncoeff();
 
-  create_twojmax_arrays();
-
-  bvec = NULL;
-  dbvec = NULL;
-  memory->create(bvec, ncoeff, "pair:bvec");
-  memory->create(dbvec, ncoeff, 3, "pair:dbvec");
   rij = NULL;
   inside = NULL;
   wj = NULL;
   rcutij = NULL;
   nmax = 0;
-  idxj = NULL;
+  idxz = NULL;
+  idxb = NULL;
+  ulist_r_ij = NULL;
+  ulist_i_ij = NULL;
+
+  build_indexlist();
+  create_twojmax_arrays();
 
   if (bzero_flag) {
     double www = wself*wself*wself;
@@ -149,134 +146,144 @@ SNA::SNA(LAMMPS* lmp, double rfac0_in,
       bzero[j] = www*(j+1);
   }
 
-#ifdef TIMING_INFO
-  timers = new double[20];
-  for(int i = 0; i < 20; i++) timers[i] = 0;
-  print = 0;
-  counter = 0;
-#endif
-
-  build_indexlist();
-
-
 }
 
 /* ---------------------------------------------------------------------- */
 
 SNA::~SNA()
 {
-  if(!use_shared_arrays) {
-    destroy_twojmax_arrays();
-    memory->destroy(rij);
-    memory->destroy(inside);
-    memory->destroy(wj);
-    memory->destroy(rcutij);
-    memory->destroy(bvec);
-    memory->destroy(dbvec);
-  }
-  delete[] idxj;
+  memory->destroy(rij);
+  memory->destroy(inside);
+  memory->destroy(wj);
+  memory->destroy(rcutij);
+  memory->destroy(ulist_r_ij);
+  memory->destroy(ulist_i_ij);
+  delete[] idxz;
+  delete[] idxb;
+  destroy_twojmax_arrays();
 }
 
 void SNA::build_indexlist()
 {
-  if(diagonalstyle == 0) {
-    int idxj_count = 0;
-
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2)
-          idxj_count++;
-
-    // indexList can be changed here
 
-    idxj = new SNA_LOOPINDICES[idxj_count];
-    idxj_max = idxj_count;
+  // index list for cglist
 
-    idxj_count = 0;
-
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2) {
-          idxj[idxj_count].j1 = j1;
-          idxj[idxj_count].j2 = j2;
-          idxj[idxj_count].j = j;
-          idxj_count++;
-        }
-  }
-
-  if(diagonalstyle == 1) {
-    int idxj_count = 0;
+  int jdim = twojmax + 1;
+  memory->create(idxcg_block, jdim, jdim, jdim,
+                 "sna:idxcg_block");
 
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j = 0; j <= MIN(twojmax, 2 * j1); j += 2) {
-        idxj_count++;
+  int idxcg_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        idxcg_block[j1][j2][j] = idxcg_count; 
+        for (int m1 = 0; m1 <= j1; m1++)
+          for (int m2 = 0; m2 <= j2; m2++)
+            idxcg_count++;
       }
+  idxcg_max = idxcg_count;
 
-    // indexList can be changed here
-
-    idxj = new SNA_LOOPINDICES[idxj_count];
-    idxj_max = idxj_count;
+  // index list for uarray
+  // need to include both halves
 
-    idxj_count = 0;
+  memory->create(idxu_block, jdim,
+                 "sna:idxu_block");
 
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j = 0; j <= MIN(twojmax, 2 * j1); j += 2) {
-        idxj[idxj_count].j1 = j1;
-        idxj[idxj_count].j2 = j1;
-        idxj[idxj_count].j = j;
-        idxj_count++;
-      }
+  int idxu_count = 0;
+  
+  for(int j = 0; j <= twojmax; j++) {
+    idxu_block[j] = idxu_count; 
+    for(int mb = 0; mb <= j; mb++)
+      for(int ma = 0; ma <= j; ma++)
+        idxu_count++;
   }
+  idxu_max = idxu_count;
 
-  if(diagonalstyle == 2) {
-    int idxj_count = 0;
-
-    for(int j1 = 0; j1 <= twojmax; j1++) {
-      idxj_count++;
-    }
+  // index list for beta and B
 
-    // indexList can be changed here
-
-    idxj = new SNA_LOOPINDICES[idxj_count];
-    idxj_max = idxj_count;
-
-    idxj_count = 0;
-
-    for(int j1 = 0; j1 <= twojmax; j1++) {
-      idxj[idxj_count].j1 = j1;
-      idxj[idxj_count].j2 = j1;
-      idxj[idxj_count].j = j1;
-      idxj_count++;
-    }
-  }
-
-  if(diagonalstyle == 3) {
-    int idxj_count = 0;
+  int idxb_count = 0;  
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) idxb_count++;
+  
+  idxb_max = idxb_count;
+  idxb = new SNA_BINDICES[idxb_max];
+  
+  idxb_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) {
+          idxb[idxb_count].j1 = j1;
+          idxb[idxb_count].j2 = j2;
+          idxb[idxb_count].j = j;
+          idxb_count++;
+        }
 
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) idxj_count++;
+  // reverse index list for beta and b
 
-    // indexList can be changed here
+  memory->create(idxb_block, jdim, jdim, jdim,
+                 "sna:idxb_block");
+  idxb_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        if (j >= j1) {
+          idxb_block[j1][j2][j] = idxb_count; 
+          idxb_count++;
+        }
+      }
 
-    idxj = new SNA_LOOPINDICES[idxj_count];
-    idxj_max = idxj_count;
+  // index list for zlist
 
-    idxj_count = 0;
+  int idxz_count = 0;
 
-    for(int j1 = 0; j1 <= twojmax; j1++)
-      for(int j2 = 0; j2 <= j1; j2++)
-        for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) {
-            idxj[idxj_count].j1 = j1;
-            idxj[idxj_count].j2 = j2;
-            idxj[idxj_count].j = j;
-            idxj_count++;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2)
+        for (int mb = 0; 2*mb <= j; mb++)
+          for (int ma = 0; ma <= j; ma++)
+            idxz_count++;
+  
+  idxz_max = idxz_count;
+  idxz = new SNA_ZINDICES[idxz_max];
+  
+  memory->create(idxz_block, jdim, jdim, jdim,
+                 "sna:idxz_block");
+  
+  idxz_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        idxz_block[j1][j2][j] = idxz_count; 
+
+        // find right beta[jjb] entry
+        // multiply and divide by j+1 factors
+        // account for multiplicity of 1, 2, or 3
+
+        for (int mb = 0; 2*mb <= j; mb++)
+          for (int ma = 0; ma <= j; ma++) {
+            idxz[idxz_count].j1 = j1;
+            idxz[idxz_count].j2 = j2;
+            idxz[idxz_count].j = j;
+            idxz[idxz_count].ma1min = MAX(0, (2 * ma - j - j2 + j1) / 2);
+            idxz[idxz_count].ma2max = (2 * ma - j - (2 * idxz[idxz_count].ma1min - j1) + j2) / 2;
+            idxz[idxz_count].na = MIN(j1, (2 * ma - j + j2 + j1) / 2) - idxz[idxz_count].ma1min + 1;
+            idxz[idxz_count].mb1min = MAX(0, (2 * mb - j - j2 + j1) / 2);
+            idxz[idxz_count].mb2max = (2 * mb - j - (2 * idxz[idxz_count].mb1min - j1) + j2) / 2;
+            idxz[idxz_count].nb = MIN(j1, (2 * mb - j + j2 + j1) / 2) - idxz[idxz_count].mb1min + 1;
+
+            // apply to z(j1,j2,j,ma,mb) to unique element of y(j)
+
+            const int jju = idxu_block[j] + (j+1)*mb + ma;
+            idxz[idxz_count].jju = jju;
+
+            idxz_count++;
           }
-  }
-
+      }
 }
+
 /* ---------------------------------------------------------------------- */
 
 void SNA::init()
@@ -292,17 +299,20 @@ void SNA::grow_rij(int newnmax)
 
   nmax = newnmax;
 
-  if(!use_shared_arrays) {
-    memory->destroy(rij);
-    memory->destroy(inside);
-    memory->destroy(wj);
-    memory->destroy(rcutij);
-    memory->create(rij, nmax, 3, "pair:rij");
-    memory->create(inside, nmax, "pair:inside");
-    memory->create(wj, nmax, "pair:wj");
-    memory->create(rcutij, nmax, "pair:rcutij");
- }
+  memory->destroy(rij);
+  memory->destroy(inside);
+  memory->destroy(wj);
+  memory->destroy(rcutij);
+  memory->destroy(ulist_r_ij);
+  memory->destroy(ulist_i_ij);
+  memory->create(rij, nmax, 3, "pair:rij");
+  memory->create(inside, nmax, "pair:inside");
+  memory->create(wj, nmax, "pair:wj");
+  memory->create(rcutij, nmax, "pair:rcutij");
+  memory->create(ulist_r_ij, nmax, idxu_max, "sna:ulist_ij");
+  memory->create(ulist_i_ij, nmax, idxu_max, "sna:ulist_ij");
 }
+
 /* ----------------------------------------------------------------------
    compute Ui by summing over neighbors j
 ------------------------------------------------------------------------- */
@@ -320,10 +330,6 @@ void SNA::compute_ui(int jnum)
   zero_uarraytot();
   addself_uarraytot(wself);
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
   for(int j = 0; j < jnum; j++) {
     x = rij[j][0];
     y = rij[j][1];
@@ -335,52 +341,10 @@ void SNA::compute_ui(int jnum)
     //    theta0 = (r - rmin0) * rscale0;
     z0 = r / tan(theta0);
 
-    compute_uarray(x, y, z, z0, r);
-    add_uarraytot(r, wj[j], rcutij[j]);
-  }
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[0] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
-
-}
-
-void SNA::compute_ui_omp(int jnum, int sub_threads)
-{
-  double rsq, r, x, y, z, z0, theta0;
-
-  // utot(j,ma,mb) = 0 for all j,ma,ma
-  // utot(j,ma,ma) = 1 for all j,ma
-  // for j in neighbors of i:
-  //   compute r0 = (x,y,z,z0)
-  //   utot(j,ma,mb) += u(r0;j,ma,mb) for all j,ma,mb
-
-  zero_uarraytot();
-  addself_uarraytot(wself);
-
-  for(int j = 0; j < jnum; j++) {
-    x = rij[j][0];
-    y = rij[j][1];
-    z = rij[j][2];
-    rsq = x * x + y * y + z * z;
-    r = sqrt(rsq);
-    theta0 = (r - rmin0) * rfac0 * MY_PI / (rcutij[j] - rmin0);
-    //    theta0 = (r - rmin0) * rscale0;
-    z0 = r / tan(theta0);
-    omp_set_num_threads(sub_threads);
-
-#if defined(_OPENMP)
-#pragma omp parallel shared(x,y,z,z0,r,sub_threads) default(none)
-#endif
-    {
-      compute_uarray_omp(x, y, z, z0, r, sub_threads);
-    }
-    add_uarraytot(r, wj[j], rcutij[j]);
+    compute_uarray(x, y, z, z0, r, j);
+    add_uarraytot(r, wj[j], rcutij[j], j);
   }
 
-
 }
 
 /* ----------------------------------------------------------------------
@@ -389,417 +353,280 @@ void SNA::compute_ui_omp(int jnum, int sub_threads)
 
 void SNA::compute_zi()
 {
-  // for j1 = 0,...,twojmax
-  //   for j2 = 0,twojmax
-  //     for j = |j1-j2|,Min(twojmax,j1+j2),2
-  //        for ma = 0,...,j
-  //          for mb = 0,...,jmid
-  //            z(j1,j2,j,ma,mb) = 0
-  //            for ma1 = Max(0,ma+(j1-j2-j)/2),Min(j1,ma+(j1+j2-j)/2)
-  //              sumb1 = 0
-  //              ma2 = ma-ma1+(j1+j2-j)/2;
-  //              for mb1 = Max(0,mb+(j1-j2-j)/2),Min(j1,mb+(j1+j2-j)/2)
-  //                mb2 = mb-mb1+(j1+j2-j)/2;
-  //                sumb1 += cg(j1,mb1,j2,mb2,j) *
-  //                  u(j1,ma1,mb1) * u(j2,ma2,mb2)
-  //              z(j1,j2,j,ma,mb) += sumb1*cg(j1,ma1,j2,ma2,j)
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  // compute_dbidrj() requires full j1/j2/j chunk of z elements
-  // use zarray j1/j2 symmetry
 
-  for(int j1 = 0; j1 <= twojmax; j1++)
-    for(int j2 = 0; j2 <= j1; j2++) {
-      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
-        double sumb1_r, sumb1_i;
-        int ma2, mb2;
-        for(int mb = 0; 2*mb <= j; mb++)
-          for(int ma = 0; ma <= j; ma++) {
-            zarray_r[j1][j2][j][ma][mb] = 0.0;
-            zarray_i[j1][j2][j][ma][mb] = 0.0;
-
-            for(int ma1 = MAX(0, (2 * ma - j - j2 + j1) / 2);
-                ma1 <= MIN(j1, (2 * ma - j + j2 + j1) / 2); ma1++) {
-              sumb1_r = 0.0;
-              sumb1_i = 0.0;
-
-              ma2 = (2 * ma - j - (2 * ma1 - j1) + j2) / 2;
-
-              for(int mb1 = MAX(0, (2 * mb - j - j2 + j1) / 2);
-              mb1 <= MIN(j1, (2 * mb - j + j2 + j1) / 2); mb1++) {
-
-                mb2 = (2 * mb - j - (2 * mb1 - j1) + j2) / 2;
-                sumb1_r += cgarray[j1][j2][j][mb1][mb2] *
-                  (uarraytot_r[j1][ma1][mb1] * uarraytot_r[j2][ma2][mb2] -
-                   uarraytot_i[j1][ma1][mb1] * uarraytot_i[j2][ma2][mb2]);
-                sumb1_i += cgarray[j1][j2][j][mb1][mb2] *
-                  (uarraytot_r[j1][ma1][mb1] * uarraytot_i[j2][ma2][mb2] +
-                   uarraytot_i[j1][ma1][mb1] * uarraytot_r[j2][ma2][mb2]);
-              } // end loop over mb1
-
-              zarray_r[j1][j2][j][ma][mb] +=
-                sumb1_r * cgarray[j1][j2][j][ma1][ma2];
-              zarray_i[j1][j2][j][ma][mb] +=
-                sumb1_i * cgarray[j1][j2][j][ma1][ma2];
-            } // end loop over ma1
-          } // end loop over ma, mb
-      } // end loop over j
-    } // end loop over j1, j2
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[1] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+  int ma2, mb2;
+  for(int jjz = 0; jjz < idxz_max; jjz++) {
+    const int j1 = idxz[jjz].j1;
+    const int j2 = idxz[jjz].j2;
+    const int j = idxz[jjz].j;
+    const int ma1min = idxz[jjz].ma1min;
+    const int ma2max = idxz[jjz].ma2max;
+    const int na = idxz[jjz].na;
+    const int mb1min = idxz[jjz].mb1min;
+    const int mb2max = idxz[jjz].mb2max;
+    const int nb = idxz[jjz].nb;
+
+    const double* cgblock = cglist + idxcg_block[j1][j2][j];
+
+    zlist_r[jjz] = 0.0;
+    zlist_i[jjz] = 0.0;
+
+    int jju1 = idxu_block[j1] + (j1+1)*mb1min;
+    int jju2 = idxu_block[j2] + (j2+1)*mb2max;
+    int icgb = mb1min*(j2+1) + mb2max;
+    for(int ib = 0; ib < nb; ib++) {
+
+      double suma1_r = 0.0;
+      double suma1_i = 0.0;
+
+      const double* u1_r = &ulisttot_r[jju1];
+      const double* u1_i = &ulisttot_i[jju1];
+      const double* u2_r = &ulisttot_r[jju2];
+      const double* u2_i = &ulisttot_i[jju2];
+
+      int ma1 = ma1min;
+      int ma2 = ma2max;
+      int icga = ma1min*(j2+1) + ma2max;
+      for(int ia = 0; ia < na; ia++) {
+        suma1_r += cgblock[icga] * (u1_r[ma1] * u2_r[ma2] - u1_i[ma1] * u2_i[ma2]);
+        suma1_i += cgblock[icga] * (u1_r[ma1] * u2_i[ma2] + u1_i[ma1] * u2_r[ma2]);
+        ma1++;
+        ma2--;
+        icga += j2;
+      } // end loop over ia
+
+      zlist_r[jjz] += cgblock[icgb] * suma1_r;
+      zlist_i[jjz] += cgblock[icgb] * suma1_i;
+      jju1 += j1+1;
+      jju2 -= j2+1;
+      icgb += j2;
+    } // end loop over ib
+
+  } // end loop over jjz
 }
 
-void SNA::compute_zi_omp(int sub_threads)
-{
-  // for j1 = 0,...,twojmax
-  //   for j2 = 0,twojmax
-  //     for j = |j1-j2|,Min(twojmax,j1+j2),2
-  //        for ma = 0,...,j
-  //          for mb = 0,...,j
-  //            z(j1,j2,j,ma,mb) = 0
-  //            for ma1 = Max(0,ma+(j1-j2-j)/2),Min(j1,ma+(j1+j2-j)/2)
-  //              sumb1 = 0
-  //              ma2 = ma-ma1+(j1+j2-j)/2;
-  //              for mb1 = Max(0,mb+(j1-j2-j)/2),Min(j1,mb+(j1+j2-j)/2)
-  //                mb2 = mb-mb1+(j1+j2-j)/2;
-  //                sumb1 += cg(j1,mb1,j2,mb2,j) *
-  //                  u(j1,ma1,mb1) * u(j2,ma2,mb2)
-  //              z(j1,j2,j,ma,mb) += sumb1*cg(j1,ma1,j2,ma2,j)
-
-  if(omp_in_parallel())
-    omp_set_num_threads(sub_threads);
-
-  // compute_dbidrj() requires full j1/j2/j chunk of z elements
-  // use zarray j1/j2 symmetry
-
-#if defined(_OPENMP)
-#pragma omp parallel for schedule(auto) default(none)
-#endif
-  for(int j1 = 0; j1 <= twojmax; j1++)
-    for(int j2 = 0; j2 <= j1; j2++)
-      for(int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2) {
-
-    double sumb1_r, sumb1_i;
-    int ma2, mb2;
-
-    for(int ma = 0; ma <= j; ma++)
-      for(int mb = 0; mb <= j; mb++) {
-        zarray_r[j1][j2][j][ma][mb] = 0.0;
-        zarray_i[j1][j2][j][ma][mb] = 0.0;
-
-        for(int ma1 = MAX(0, (2 * ma - j - j2 + j1) / 2);
-            ma1 <= MIN(j1, (2 * ma - j + j2 + j1) / 2); ma1++) {
-          sumb1_r = 0.0;
-          sumb1_i = 0.0;
-
-          ma2 = (2 * ma - j - (2 * ma1 - j1) + j2) / 2;
+/* ----------------------------------------------------------------------
+   compute Yi from Ui without storing Zi, looping over zlist indices
+------------------------------------------------------------------------- */
 
-          for(int mb1 = MAX(0, (2 * mb - j - j2 + j1) / 2);
-              mb1 <= MIN(j1, (2 * mb - j + j2 + j1) / 2); mb1++) {
+void SNA::compute_yi(const double* beta)
+{
+  int j;
+  int jjz;
+  int jju;
+  double betaj;
+
+  for(int j = 0; j <= twojmax; j++) {
+    jju = idxu_block[j];
+    for(int mb = 0; 2*mb <= j; mb++)
+      for(int ma = 0; ma <= j; ma++) {
+        ylist_r[jju] = 0.0;
+        ylist_i[jju] = 0.0;
+        jju++;
+      } // end loop over ma, mb
+  } // end loop over j
+
+  int ma2, mb2;
+  for(int jjz = 0; jjz < idxz_max; jjz++) {
+    const int j1 = idxz[jjz].j1;
+    const int j2 = idxz[jjz].j2;
+    const int j = idxz[jjz].j;
+    const int ma1min = idxz[jjz].ma1min;
+    const int ma2max = idxz[jjz].ma2max;
+    const int na = idxz[jjz].na;
+    const int mb1min = idxz[jjz].mb1min;
+    const int mb2max = idxz[jjz].mb2max;
+    const int nb = idxz[jjz].nb;
+
+    const double* cgblock = cglist + idxcg_block[j1][j2][j];
+    int mb = (2 * (mb1min+mb2max) - j1 - j2 + j) / 2;
+    int ma = (2 * (ma1min+ma2max) - j1 - j2 + j) / 2;
+
+    double ztmp_r = 0.0;
+    double ztmp_i = 0.0;
+
+    int jju1 = idxu_block[j1] + (j1+1)*mb1min;
+    int jju2 = idxu_block[j2] + (j2+1)*mb2max;
+    int icgb = mb1min*(j2+1) + mb2max;
+    for(int ib = 0; ib < nb; ib++) {
+
+      double suma1_r = 0.0;
+      double suma1_i = 0.0;
+
+      const double* u1_r = &ulisttot_r[jju1];
+      const double* u1_i = &ulisttot_i[jju1];
+      const double* u2_r = &ulisttot_r[jju2];
+      const double* u2_i = &ulisttot_i[jju2];
+
+      int ma1 = ma1min;
+      int ma2 = ma2max;
+      int icga = ma1min*(j2+1) + ma2max;
+
+      for(int ia = 0; ia < na; ia++) {
+        suma1_r += cgblock[icga] * (u1_r[ma1] * u2_r[ma2] - u1_i[ma1] * u2_i[ma2]);
+        suma1_i += cgblock[icga] * (u1_r[ma1] * u2_i[ma2] + u1_i[ma1] * u2_r[ma2]);
+        ma1++;
+        ma2--;
+        icga += j2;
+      } // end loop over ia
+
+      ztmp_r += cgblock[icgb] * suma1_r;
+      ztmp_i += cgblock[icgb] * suma1_i;
+      jju1 += j1+1;
+      jju2 -= j2+1;
+      icgb += j2;
+    } // end loop over ib
+
+    // apply to z(j1,j2,j,ma,mb) to unique element of y(j)
+    // find right y_list[jju] and beta[jjb] entries
+    // multiply and divide by j+1 factors
+    // account for multiplicity of 1, 2, or 3
+
+    const int jju = idxz[jjz].jju;
+
+  // pick out right beta value
+
+    if (j >= j1) {
+      const int jjb = idxb_block[j1][j2][j];
+      if (j1 == j) {
+        if (j2 == j) betaj = 3*beta[jjb];
+        else betaj = 2*beta[jjb];
+      } else betaj = beta[jjb]; 
+    } else if (j >= j2) {
+      const int jjb = idxb_block[j][j2][j1];
+      if (j2 == j) betaj = 2*beta[jjb]*(j1+1)/(j+1.0);
+      else betaj = beta[jjb]*(j1+1)/(j+1.0);
+    } else {
+      const int jjb = idxb_block[j2][j][j1];
+      betaj = beta[jjb]*(j1+1)/(j+1.0);
+    }
 
-            mb2 = (2 * mb - j - (2 * mb1 - j1) + j2) / 2;
-            sumb1_r += cgarray[j1][j2][j][mb1][mb2] *
-              (uarraytot_r[j1][ma1][mb1] * uarraytot_r[j2][ma2][mb2] -
-               uarraytot_i[j1][ma1][mb1] * uarraytot_i[j2][ma2][mb2]);
-            sumb1_i += cgarray[j1][j2][j][mb1][mb2] *
-              (uarraytot_r[j1][ma1][mb1] * uarraytot_i[j2][ma2][mb2] +
-               uarraytot_i[j1][ma1][mb1] * uarraytot_r[j2][ma2][mb2]);
-          }
+    ylist_r[jju] += betaj*ztmp_r;
+    ylist_i[jju] += betaj*ztmp_i;
 
-          zarray_r[j1][j2][j][ma][mb] +=
-            sumb1_r * cgarray[j1][j2][j][ma1][ma2];
-          zarray_i[j1][j2][j][ma][mb] +=
-            sumb1_i * cgarray[j1][j2][j][ma1][ma2];
-        }
-      }
-  }
+  } // end loop over jjz
 }
 
 /* ----------------------------------------------------------------------
-   compute Bi by summing conj(Ui)*Zi
+   compute dEidRj
 ------------------------------------------------------------------------- */
 
-void SNA::compute_bi()
+void SNA::compute_deidrj(double* dedr)
 {
-  // for j1 = 0,...,twojmax
-  //   for j2 = 0,twojmax
-  //     for j = |j1-j2|,Min(twojmax,j1+j2),2
-  //        b(j1,j2,j) = 0
-  //        for mb = 0,...,jmid
-  //          for ma = 0,...,j
-  //            b(j1,j2,j) +=
-  //              2*Conj(u(j,ma,mb))*z(j1,j2,j,ma,mb)
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
+  for(int k = 0; k < 3; k++)
+    dedr[k] = 0.0;
 
-  for(int j1 = 0; j1 <= twojmax; j1++)
-    for(int j2 = 0; j2 <= j1; j2++) {
-      for(int j = abs(j1 - j2);
-          j <= MIN(twojmax, j1 + j2); j += 2) {
-        barray[j1][j2][j] = 0.0;
-
-        for(int mb = 0; 2*mb < j; mb++)
-          for(int ma = 0; ma <= j; ma++)
-            barray[j1][j2][j] +=
-              uarraytot_r[j][ma][mb] * zarray_r[j1][j2][j][ma][mb] +
-              uarraytot_i[j][ma][mb] * zarray_i[j1][j2][j][ma][mb];
-
-        // For j even, special treatment for middle column
-
-        if (j%2 == 0) {
-          int mb = j/2;
-          for(int ma = 0; ma < mb; ma++)
-            barray[j1][j2][j] +=
-              uarraytot_r[j][ma][mb] * zarray_r[j1][j2][j][ma][mb] +
-              uarraytot_i[j][ma][mb] * zarray_i[j1][j2][j][ma][mb];
-          int ma = mb;
-          barray[j1][j2][j] +=
-            (uarraytot_r[j][ma][mb] * zarray_r[j1][j2][j][ma][mb] +
-             uarraytot_i[j][ma][mb] * zarray_i[j1][j2][j][ma][mb])*0.5;
-        }
+  for(int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
 
-        barray[j1][j2][j] *= 2.0;
-        if (bzero_flag)
-          barray[j1][j2][j] -= bzero[j];
-      }
-    }
+    for(int mb = 0; 2*mb < j; mb++)
+      for(int ma = 0; ma <= j; ma++) {
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[2] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+        double* dudr_r = dulist_r[jju];
+        double* dudr_i = dulist_i[jju];
+        double jjjmambyarray_r = ylist_r[jju];
+        double jjjmambyarray_i = ylist_i[jju];
 
-}
+        for(int k = 0; k < 3; k++)
+          dedr[k] +=
+            dudr_r[k] * jjjmambyarray_r +
+            dudr_i[k] * jjjmambyarray_i;
+        jju++;
+      } //end loop over ma mb
 
-/* ----------------------------------------------------------------------
-   copy Bi array to a vector
-------------------------------------------------------------------------- */
+    // For j even, handle middle column
 
-void SNA::copy_bi2bvec()
-{
-  int ncount, j1, j2, j;
+    if (j%2 == 0) {
 
-  ncount = 0;
+      int mb = j/2;
+      for(int ma = 0; ma < mb; ma++) {
+        double* dudr_r = dulist_r[jju];
+        double* dudr_i = dulist_i[jju];
+        double jjjmambyarray_r = ylist_r[jju];
+        double jjjmambyarray_i = ylist_i[jju];
 
-  for(j1 = 0; j1 <= twojmax; j1++)
-    if(diagonalstyle == 0) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2) {
-          bvec[ncount] = barray[j1][j2][j];
-          ncount++;
-        }
-    } else if(diagonalstyle == 1) {
-      j2 = j1;
-      for(j = abs(j1 - j2);
-          j <= MIN(twojmax, j1 + j2); j += 2) {
-        bvec[ncount] = barray[j1][j2][j];
-        ncount++;
+        for(int k = 0; k < 3; k++)
+          dedr[k] +=
+            dudr_r[k] * jjjmambyarray_r +
+            dudr_i[k] * jjjmambyarray_i;
+        jju++;
       }
-    } else if(diagonalstyle == 2) {
-      j = j2 = j1;
-      bvec[ncount] = barray[j1][j2][j];
-      ncount++;
-    } else if(diagonalstyle == 3) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) {
-            bvec[ncount] = barray[j1][j2][j];
-            ncount++;
-          }
-    }
-}
-
-/* ----------------------------------------------------------------------
-   calculate derivative of Ui w.r.t. atom j
-------------------------------------------------------------------------- */
 
-void SNA::compute_duidrj(double* rij, double wj, double rcut)
-{
-  double rsq, r, x, y, z, z0, theta0, cs, sn;
-  double dz0dr;
+      int ma = mb;
+      double* dudr_r = dulist_r[jju];
+      double* dudr_i = dulist_i[jju];
+      double jjjmambyarray_r = ylist_r[jju];
+      double jjjmambyarray_i = ylist_i[jju];
 
-  x = rij[0];
-  y = rij[1];
-  z = rij[2];
-  rsq = x * x + y * y + z * z;
-  r = sqrt(rsq);
-  double rscale0 = rfac0 * MY_PI / (rcut - rmin0);
-  theta0 = (r - rmin0) * rscale0;
-  cs = cos(theta0);
-  sn = sin(theta0);
-  z0 = r * cs / sn;
-  dz0dr = z0 / r - (r*rscale0) * (rsq + z0 * z0) / rsq;
+      for(int k = 0; k < 3; k++)
+        dedr[k] += 
+          (dudr_r[k] * jjjmambyarray_r +
+           dudr_i[k] * jjjmambyarray_i)*0.5;
+      jju++;
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
+    } // end if jeven
 
-  compute_duarray(x, y, z, z0, r, dz0dr, wj, rcut);
+  } // end loop over j
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[3] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+  for(int k = 0; k < 3; k++)
+    dedr[k] *= 2.0;
 
 }
 
 /* ----------------------------------------------------------------------
-   calculate derivative of Bi w.r.t. atom j
-   variant using indexlist for j1,j2,j
-   variant not using symmetry relation
+   compute Bi by summing conj(Ui)*Zi
 ------------------------------------------------------------------------- */
 
-void SNA::compute_dbidrj_nonsymm()
+void SNA::compute_bi()
 {
   // for j1 = 0,...,twojmax
   //   for j2 = 0,twojmax
   //     for j = |j1-j2|,Min(twojmax,j1+j2),2
-  //        dbdr(j1,j2,j) = 0
-  //        for ma = 0,...,j
-  //          for mb = 0,...,j
-  //            dzdr = 0
-  //            for ma1 = Max(0,ma+(j1-j2-j)/2),Min(j1,ma+(j1+j2-j)/2)
-  //              sumb1 = 0
-  //              ma2 = ma-ma1+(j1+j2-j)/2;
-  //              for mb1 = Max(0,mb+(j1-j2-j)/2),Min(j1,mb+(j1+j2-j)/2)
-  //                mb2 = mb-mb1+(j1+j2-j)/2;
-  //                sumb1 += cg(j1,mb1,j2,mb2,j) *
-  //                  (dudr(j1,ma1,mb1) * u(j2,ma2,mb2) +
-  //                  u(j1,ma1,mb1) * dudr(j2,ma2,mb2))
-  //              dzdr += sumb1*cg(j1,ma1,j2,ma2,j)
-  //            dbdr(j1,j2,j) +=
-  //              Conj(dudr(j,ma,mb))*z(j1,j2,j,ma,mb) +
-  //              Conj(u(j,ma,mb))*dzdr
-
-  double* dbdr;
-  double* dudr_r, *dudr_i;
-  double sumb1_r[3], sumb1_i[3], dzdr_r[3], dzdr_i[3];
-  int ma2;
-
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  for(int JJ = 0; JJ < idxj_max; JJ++) {
-    const int j1 = idxj[JJ].j1;
-    const int j2 = idxj[JJ].j2;
-    const int j = idxj[JJ].j;
-
-    dbdr = dbarray[j1][j2][j];
-    dbdr[0] = 0.0;
-    dbdr[1] = 0.0;
-    dbdr[2] = 0.0;
-
-    double** *j1duarray_r = duarray_r[j1];
-    double** *j2duarray_r = duarray_r[j2];
-    double** *j1duarray_i = duarray_i[j1];
-    double** *j2duarray_i = duarray_i[j2];
-    double** j1uarraytot_r = uarraytot_r[j1];
-    double** j2uarraytot_r = uarraytot_r[j2];
-    double** j1uarraytot_i = uarraytot_i[j1];
-    double** j2uarraytot_i = uarraytot_i[j2];
-    double** j1j2jcgarray = cgarray[j1][j2][j];
-
-    for(int ma = 0; ma <= j; ma++)
-      for(int mb = 0; mb <= j; mb++) {
-        dzdr_r[0] = 0.0;
-        dzdr_r[1] = 0.0;
-        dzdr_r[2] = 0.0;
-        dzdr_i[0] = 0.0;
-        dzdr_i[1] = 0.0;
-        dzdr_i[2] = 0.0;
-
-        const int max_mb1 = MIN(j1, (2 * mb - j + j2 + j1) / 2) + 1;
-        const int max_ma1 = MIN(j1, (2 * ma - j + j2 + j1) / 2) + 1;
-
-        for(int ma1 = MAX(0, (2 * ma - j - j2 + j1) / 2);
-            ma1 < max_ma1; ma1++) {
-
-          ma2 = (2 * ma - j - (2 * ma1 - j1) + j2) / 2;
-          sumb1_r[0] = 0.0;
-          sumb1_r[1] = 0.0;
-          sumb1_r[2] = 0.0;
-          sumb1_i[0] = 0.0;
-          sumb1_i[1] = 0.0;
-          sumb1_i[2] = 0.0;
-
-          //inside loop 54 operations (mul and add)
-          for(int mb1 = MAX(0, (2 * mb - j - j2 + j1) / 2),
-              mb2 = mb + (j1 + j2 - j) / 2 - mb1;
-              mb1 < max_mb1; mb1++, mb2--) {
-
-            double* dudr1_r, *dudr1_i, *dudr2_r, *dudr2_i;
-
-            dudr1_r = j1duarray_r[ma1][mb1];
-            dudr2_r = j2duarray_r[ma2][mb2];
-            dudr1_i = j1duarray_i[ma1][mb1];
-            dudr2_i = j2duarray_i[ma2][mb2];
-
-            const double cga_mb1mb2 = j1j2jcgarray[mb1][mb2];
-            const double uat_r_ma2mb2 = cga_mb1mb2 * j2uarraytot_r[ma2][mb2];
-            const double uat_r_ma1mb1 = cga_mb1mb2 * j1uarraytot_r[ma1][mb1];
-            const double uat_i_ma2mb2 = cga_mb1mb2 * j2uarraytot_i[ma2][mb2];
-            const double uat_i_ma1mb1 = cga_mb1mb2 * j1uarraytot_i[ma1][mb1];
-
-            for(int k = 0; k < 3; k++) {
-              sumb1_r[k] += dudr1_r[k] * uat_r_ma2mb2;
-              sumb1_r[k] -= dudr1_i[k] * uat_i_ma2mb2;
-              sumb1_i[k] += dudr1_r[k] * uat_i_ma2mb2;
-              sumb1_i[k] += dudr1_i[k] * uat_r_ma2mb2;
-
-              sumb1_r[k] += dudr2_r[k] * uat_r_ma1mb1;
-              sumb1_r[k] -= dudr2_i[k] * uat_i_ma1mb1;
-              sumb1_i[k] += dudr2_r[k] * uat_i_ma1mb1;
-              sumb1_i[k] += dudr2_i[k] * uat_r_ma1mb1;
-            }
-          } // end loop over mb1,mb2
+  //        b(j1,j2,j) = 0
+  //        for mb = 0,...,jmid
+  //          for ma = 0,...,j
+  //            b(j1,j2,j) +=
+  //              2*Conj(u(j,ma,mb))*z(j1,j2,j,ma,mb)
 
-          // dzdr += sumb1*cg(j1,ma1,j2,ma2,j)
+  for(int jjb = 0; jjb < idxb_max; jjb++) {
+    const int j1 = idxb[jjb].j1;
+    const int j2 = idxb[jjb].j2;
+    const int j = idxb[jjb].j;
 
-          dzdr_r[0] += sumb1_r[0] * j1j2jcgarray[ma1][ma2];
-          dzdr_r[1] += sumb1_r[1] * j1j2jcgarray[ma1][ma2];
-          dzdr_r[2] += sumb1_r[2] * j1j2jcgarray[ma1][ma2];
-          dzdr_i[0] += sumb1_i[0] * j1j2jcgarray[ma1][ma2];
-          dzdr_i[1] += sumb1_i[1] * j1j2jcgarray[ma1][ma2];
-          dzdr_i[2] += sumb1_i[2] * j1j2jcgarray[ma1][ma2];
-        } // end loop over ma1,ma2
+    int jjz = idxz_block[j1][j2][j];
+    int jju = idxu_block[j];
+    double sumzu = 0.0;
+    for (int mb = 0; 2*mb < j; mb++)
+      for (int ma = 0; ma <= j; ma++) {
+        sumzu += ulisttot_r[jju]*zlist_r[jjz] + 
+          ulisttot_i[jju]*zlist_i[jjz];
+        jjz++;
+        jju++;
+      } // end loop over ma, mb                                                                                                   
 
-        // dbdr(j1,j2,j) +=
-        //   Conj(dudr(j,ma,mb))*z(j1,j2,j,ma,mb) +
-        //   Conj(u(j,ma,mb))*dzdr
+    // For j even, handle middle column
 
-        dudr_r = duarray_r[j][ma][mb];
-        dudr_i = duarray_i[j][ma][mb];
+    if (j%2 == 0) {
+      int mb = j/2;
+      for(int ma = 0; ma < mb; ma++) {
+        sumzu += ulisttot_r[jju]*zlist_r[jjz] + 
+          ulisttot_i[jju]*zlist_i[jjz];
+        jjz++;
+        jju++;
+      }
 
-        for(int k = 0; k < 3; k++)
-          dbdr[k] +=
-            (dudr_r[k] * zarray_r[j1][j2][j][ma][mb] +
-             dudr_i[k] * zarray_i[j1][j2][j][ma][mb]) +
-            (uarraytot_r[j][ma][mb] * dzdr_r[k] +
-             uarraytot_i[j][ma][mb] * dzdr_i[k]);
-      } //end loop over ma mb
+      sumzu += 0.5*(ulisttot_r[jju]*zlist_r[jjz] + 
+                   ulisttot_i[jju]*zlist_i[jjz]);
+    } // end if jeven
 
-  } //end loop over j1 j2 j
+    blist[jjb] = 2.0*sumzu;
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[4] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
+    // apply bzero shift
 
+    if (bzero_flag)
+      blist[jjb] -= bzero[j];
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -839,48 +666,36 @@ void SNA::compute_dbidrj()
   double** jjjzarray_i;
   double jjjmambzarray_r;
   double jjjmambzarray_i;
+  int jjz, jju;
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &starttime);
-#endif
-
-  for(int JJ = 0; JJ < idxj_max; JJ++) {
-    const int j1 = idxj[JJ].j1;
-    const int j2 = idxj[JJ].j2;
-    const int j = idxj[JJ].j;
+  for(int jjb = 0; jjb < idxb_max; jjb++) {
+    const int j1 = idxb[jjb].j1;
+    const int j2 = idxb[jjb].j2;
+    const int j = idxb[jjb].j;
 
-    dbdr = dbarray[j1][j2][j];
+    dbdr = dblist[jjb];
     dbdr[0] = 0.0;
     dbdr[1] = 0.0;
     dbdr[2] = 0.0;
 
     // Sum terms Conj(dudr(j,ma,mb))*z(j1,j2,j,ma,mb)
 
+    jjz = idxz_block[j1][j2][j];
+    jju = idxu_block[j];
+
     for(int k = 0; k < 3; k++)
       sumzdu_r[k] = 0.0;
 
-    // use zarray j1/j2 symmetry (optional)
-
-    if (j1 >= j2) {
-      jjjzarray_r = zarray_r[j1][j2][j];
-      jjjzarray_i = zarray_i[j1][j2][j];
-    } else {
-      jjjzarray_r = zarray_r[j2][j1][j];
-      jjjzarray_i = zarray_i[j2][j1][j];
-    }
-
     for(int mb = 0; 2*mb < j; mb++)
       for(int ma = 0; ma <= j; ma++) {
-
-        dudr_r = duarray_r[j][ma][mb];
-        dudr_i = duarray_i[j][ma][mb];
-        jjjmambzarray_r = jjjzarray_r[ma][mb];
-        jjjmambzarray_i = jjjzarray_i[ma][mb];
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
-
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
       } //end loop over ma mb
 
     // For j even, handle middle column
@@ -888,24 +703,24 @@ void SNA::compute_dbidrj()
     if (j%2 == 0) {
       int mb = j/2;
       for(int ma = 0; ma < mb; ma++) {
-        dudr_r = duarray_r[j][ma][mb];
-        dudr_i = duarray_i[j][ma][mb];
-        jjjmambzarray_r = jjjzarray_r[ma][mb];
-        jjjmambzarray_i = jjjzarray_i[ma][mb];
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
       }
       int ma = mb;
-      dudr_r = duarray_r[j][ma][mb];
-      dudr_i = duarray_i[j][ma][mb];
-      jjjmambzarray_r = jjjzarray_r[ma][mb];
-      jjjmambzarray_i = jjjzarray_i[ma][mb];
+      dudr_r = dulist_r[jju];
+      dudr_i = dulist_i[jju];
       for(int k = 0; k < 3; k++)
         sumzdu_r[k] +=
-          (dudr_r[k] * jjjmambzarray_r +
-           dudr_i[k] * jjjmambzarray_i)*0.5;
+          (dudr_r[k] * zlist_r[jjz] +
+           dudr_i[k] * zlist_i[jjz])*0.5;
+      jjz++;
+      jju++;
     } // end if jeven
 
     for(int k = 0; k < 3; k++)
@@ -915,115 +730,97 @@ void SNA::compute_dbidrj()
 
     double j1fac = (j+1)/(j1+1.0);
 
+    jjz = idxz_block[j][j2][j1];
+    jju = idxu_block[j1];
+
     for(int k = 0; k < 3; k++)
       sumzdu_r[k] = 0.0;
 
-    // use zarray j1/j2 symmetry (optional)
-
-    if (j >= j2) {
-      jjjzarray_r = zarray_r[j][j2][j1];
-      jjjzarray_i = zarray_i[j][j2][j1];
-    } else {
-      jjjzarray_r = zarray_r[j2][j][j1];
-      jjjzarray_i = zarray_i[j2][j][j1];
-    }
-
-    for(int mb1 = 0; 2*mb1 < j1; mb1++)
-      for(int ma1 = 0; ma1 <= j1; ma1++) {
-
-        dudr_r = duarray_r[j1][ma1][mb1];
-        dudr_i = duarray_i[j1][ma1][mb1];
-        jjjmambzarray_r = jjjzarray_r[ma1][mb1];
-        jjjmambzarray_i = jjjzarray_i[ma1][mb1];
+    for(int mb = 0; 2*mb < j1; mb++)
+      for(int ma = 0; ma <= j1; ma++) {
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
-
-      } //end loop over ma1 mb1
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
+      } //end loop over ma mb
 
     // For j1 even, handle middle column
 
     if (j1%2 == 0) {
-      int mb1 = j1/2;
-      for(int ma1 = 0; ma1 < mb1; ma1++) {
-        dudr_r = duarray_r[j1][ma1][mb1];
-        dudr_i = duarray_i[j1][ma1][mb1];
-        jjjmambzarray_r = jjjzarray_r[ma1][mb1];
-        jjjmambzarray_i = jjjzarray_i[ma1][mb1];
+      int mb = j1/2;
+      for(int ma = 0; ma < mb; ma++) {
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
       }
-      int ma1 = mb1;
-      dudr_r = duarray_r[j1][ma1][mb1];
-      dudr_i = duarray_i[j1][ma1][mb1];
-      jjjmambzarray_r = jjjzarray_r[ma1][mb1];
-      jjjmambzarray_i = jjjzarray_i[ma1][mb1];
+      int ma = mb;
+      dudr_r = dulist_r[jju];
+      dudr_i = dulist_i[jju];
       for(int k = 0; k < 3; k++)
         sumzdu_r[k] +=
-          (dudr_r[k] * jjjmambzarray_r +
-           dudr_i[k] * jjjmambzarray_i)*0.5;
+          (dudr_r[k] * zlist_r[jjz] +
+           dudr_i[k] * zlist_i[jjz])*0.5;
+      jjz++;
+      jju++;
     } // end if j1even
 
     for(int k = 0; k < 3; k++)
       dbdr[k] += 2.0*sumzdu_r[k]*j1fac;
 
-    // Sum over Conj(dudr(j2,ma2,mb2))*z(j1,j,j2,ma2,mb2)
+    // Sum over Conj(dudr(j2,ma2,mb2))*z(j,j1,j2,ma2,mb2)
 
     double j2fac = (j+1)/(j2+1.0);
 
+    jjz = idxz_block[j][j1][j2];
+    jju = idxu_block[j2];
+
     for(int k = 0; k < 3; k++)
       sumzdu_r[k] = 0.0;
 
-    // use zarray j1/j2 symmetry (optional)
-
-    if (j1 >= j) {
-      jjjzarray_r = zarray_r[j1][j][j2];
-      jjjzarray_i = zarray_i[j1][j][j2];
-    } else {
-      jjjzarray_r = zarray_r[j][j1][j2];
-      jjjzarray_i = zarray_i[j][j1][j2];
-    }
-
-    for(int mb2 = 0; 2*mb2 < j2; mb2++)
-      for(int ma2 = 0; ma2 <= j2; ma2++) {
-
-        dudr_r = duarray_r[j2][ma2][mb2];
-        dudr_i = duarray_i[j2][ma2][mb2];
-        jjjmambzarray_r = jjjzarray_r[ma2][mb2];
-        jjjmambzarray_i = jjjzarray_i[ma2][mb2];
+    for(int mb = 0; 2*mb < j2; mb++)
+      for(int ma = 0; ma <= j2; ma++) {
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
-
-      } //end loop over ma2 mb2
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
+      } //end loop over ma mb
 
     // For j2 even, handle middle column
 
     if (j2%2 == 0) {
-      int mb2 = j2/2;
-      for(int ma2 = 0; ma2 < mb2; ma2++) {
-        dudr_r = duarray_r[j2][ma2][mb2];
-        dudr_i = duarray_i[j2][ma2][mb2];
-        jjjmambzarray_r = jjjzarray_r[ma2][mb2];
-        jjjmambzarray_i = jjjzarray_i[ma2][mb2];
+      int mb = j2/2;
+      for(int ma = 0; ma < mb; ma++) {
+        dudr_r = dulist_r[jju];
+        dudr_i = dulist_i[jju];
         for(int k = 0; k < 3; k++)
           sumzdu_r[k] +=
-            dudr_r[k] * jjjmambzarray_r +
-            dudr_i[k] * jjjmambzarray_i;
+            dudr_r[k] * zlist_r[jjz] +
+            dudr_i[k] * zlist_i[jjz];
+        jjz++;
+        jju++;
       }
-      int ma2 = mb2;
-      dudr_r = duarray_r[j2][ma2][mb2];
-      dudr_i = duarray_i[j2][ma2][mb2];
-      jjjmambzarray_r = jjjzarray_r[ma2][mb2];
-      jjjmambzarray_i = jjjzarray_i[ma2][mb2];
+      int ma = mb;
+      dudr_r = dulist_r[jju];
+      dudr_i = dulist_i[jju];
       for(int k = 0; k < 3; k++)
         sumzdu_r[k] +=
-          (dudr_r[k] * jjjmambzarray_r +
-           dudr_i[k] * jjjmambzarray_i)*0.5;
+          (dudr_r[k] * zlist_r[jjz] +
+           dudr_i[k] * zlist_i[jjz])*0.5;
+      jjz++;
+      jju++;
     } // end if j2even
 
     for(int k = 0; k < 3; k++)
@@ -1031,91 +828,66 @@ void SNA::compute_dbidrj()
 
   } //end loop over j1 j2 j
 
-#ifdef TIMING_INFO
-  clock_gettime(CLOCK_REALTIME, &endtime);
-  timers[4] += (endtime.tv_sec - starttime.tv_sec + 1.0 *
-                (endtime.tv_nsec - starttime.tv_nsec) / 1000000000);
-#endif
-
 }
 
 /* ----------------------------------------------------------------------
-   copy Bi derivatives into a vector
+   calculate derivative of Ui w.r.t. atom j
 ------------------------------------------------------------------------- */
 
-void SNA::copy_dbi2dbvec()
+void SNA::compute_duidrj(double* rij, double wj, double rcut, int jj)
 {
-  int ncount, j1, j2, j;
+  double rsq, r, x, y, z, z0, theta0, cs, sn;
+  double dz0dr;
 
-  ncount = 0;
+  x = rij[0];
+  y = rij[1];
+  z = rij[2];
+  rsq = x * x + y * y + z * z;
+  r = sqrt(rsq);
+  double rscale0 = rfac0 * MY_PI / (rcut - rmin0);
+  theta0 = (r - rmin0) * rscale0;
+  cs = cos(theta0);
+  sn = sin(theta0);
+  z0 = r * cs / sn;
+  dz0dr = z0 / r - (r*rscale0) * (rsq + z0 * z0) / rsq;
 
-  for(j1 = 0; j1 <= twojmax; j1++) {
-    if(diagonalstyle == 0) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2) {
-          dbvec[ncount][0] = dbarray[j1][j2][j][0];
-          dbvec[ncount][1] = dbarray[j1][j2][j][1];
-          dbvec[ncount][2] = dbarray[j1][j2][j][2];
-          ncount++;
-        }
-    } else if(diagonalstyle == 1) {
-      j2 = j1;
-      for(j = abs(j1 - j2);
-          j <= MIN(twojmax, j1 + j2); j += 2) {
-        dbvec[ncount][0] = dbarray[j1][j2][j][0];
-        dbvec[ncount][1] = dbarray[j1][j2][j][1];
-        dbvec[ncount][2] = dbarray[j1][j2][j][2];
-        ncount++;
-      }
-    } else if(diagonalstyle == 2) {
-      j = j2 = j1;
-      dbvec[ncount][0] = dbarray[j1][j2][j][0];
-      dbvec[ncount][1] = dbarray[j1][j2][j][1];
-      dbvec[ncount][2] = dbarray[j1][j2][j][2];
-      ncount++;
-    } else if(diagonalstyle == 3) {
-      for(j2 = 0; j2 <= j1; j2++)
-        for(j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) {
-            dbvec[ncount][0] = dbarray[j1][j2][j][0];
-            dbvec[ncount][1] = dbarray[j1][j2][j][1];
-            dbvec[ncount][2] = dbarray[j1][j2][j][2];
-            ncount++;
-          }
-    }
-  }
+  compute_duarray(x, y, z, z0, r, dz0dr, wj, rcut, jj);
 }
 
 /* ---------------------------------------------------------------------- */
 
 void SNA::zero_uarraytot()
 {
-  for (int j = 0; j <= twojmax; j++)
-    for (int ma = 0; ma <= j; ma++)
-      for (int mb = 0; mb <= j; mb++) {
-        uarraytot_r[j][ma][mb] = 0.0;
-        uarraytot_i[j][ma][mb] = 0.0;
+  for (int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    for (int mb = 0; mb <= j; mb++)
+      for (int ma = 0; ma <= j; ma++) {
+        ulisttot_r[jju] = 0.0;
+        ulisttot_i[jju] = 0.0;
+        jju++;
       }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
 
 void SNA::addself_uarraytot(double wself_in)
 {
-  for (int j = 0; j <= twojmax; j++)
+  for (int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
     for (int ma = 0; ma <= j; ma++) {
-      uarraytot_r[j][ma][ma] = wself_in;
-      uarraytot_i[j][ma][ma] = 0.0;
+      ulisttot_r[jju] = wself_in;
+      ulisttot_i[jju] = 0.0;
+      jju += j+2;
     }
+  }
 }
 
 /* ----------------------------------------------------------------------
    add Wigner U-functions for one neighbor to the total
 ------------------------------------------------------------------------- */
 
-void SNA::add_uarraytot(double r, double wj, double rcut)
+void SNA::add_uarraytot(double r, double wj, double rcut, int jj)
 {
   double sfac;
 
@@ -1123,35 +895,20 @@ void SNA::add_uarraytot(double r, double wj, double rcut)
 
   sfac *= wj;
 
-  for (int j = 0; j <= twojmax; j++)
-    for (int ma = 0; ma <= j; ma++)
-      for (int mb = 0; mb <= j; mb++) {
-        uarraytot_r[j][ma][mb] +=
-          sfac * uarray_r[j][ma][mb];
-        uarraytot_i[j][ma][mb] +=
-          sfac * uarray_i[j][ma][mb];
-      }
-}
+  double* ulist_r = ulist_r_ij[jj];
+  double* ulist_i = ulist_i_ij[jj];
 
-void SNA::add_uarraytot_omp(double r, double wj, double rcut)
-{
-  double sfac;
-
-  sfac = compute_sfac(r, rcut);
-
-  sfac *= wj;
-
-#if defined(_OPENMP)
-#pragma omp for
-#endif
-  for (int j = 0; j <= twojmax; j++)
-    for (int ma = 0; ma <= j; ma++)
-      for (int mb = 0; mb <= j; mb++) {
-        uarraytot_r[j][ma][mb] +=
-          sfac * uarray_r[j][ma][mb];
-        uarraytot_i[j][ma][mb] +=
-          sfac * uarray_i[j][ma][mb];
+  for (int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    for (int mb = 0; mb <= j; mb++)
+      for (int ma = 0; ma <= j; ma++) {
+        ulisttot_r[jju] +=
+          sfac * ulist_r[jju];
+        ulisttot_i[jju] +=
+          sfac * ulist_i[jju];
+        jju++;
       }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1159,7 +916,7 @@ void SNA::add_uarraytot_omp(double r, double wj, double rcut)
 ------------------------------------------------------------------------- */
 
 void SNA::compute_uarray(double x, double y, double z,
-                         double z0, double r)
+                         double z0, double r, int jj)
 {
   double r0inv;
   double a_r, b_r, a_i, b_i;
@@ -1175,151 +932,82 @@ void SNA::compute_uarray(double x, double y, double z,
 
   // VMK Section 4.8.2
 
-  uarray_r[0][0][0] = 1.0;
-  uarray_i[0][0][0] = 0.0;
+
+  double* ulist_r = ulist_r_ij[jj];
+  double* ulist_i = ulist_i_ij[jj];
+
+  ulist_r[0] = 1.0;
+  ulist_i[0] = 0.0;
 
   for (int j = 1; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    int jjup = idxu_block[j-1];
 
     // fill in left side of matrix layer from previous layer
 
     for (int mb = 0; 2*mb <= j; mb++) {
-      uarray_r[j][0][mb] = 0.0;
-      uarray_i[j][0][mb] = 0.0;
+      ulist_r[jju] = 0.0;
+      ulist_i[jju] = 0.0;
 
       for (int ma = 0; ma < j; ma++) {
         rootpq = rootpqarray[j - ma][j - mb];
-        uarray_r[j][ma][mb] +=
+        ulist_r[jju] +=
           rootpq *
-          (a_r * uarray_r[j - 1][ma][mb] +
-           a_i * uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma][mb] +=
+          (a_r * ulist_r[jjup] +
+           a_i * ulist_i[jjup]);
+        ulist_i[jju] +=
           rootpq *
-          (a_r * uarray_i[j - 1][ma][mb] -
-           a_i * uarray_r[j - 1][ma][mb]);
+          (a_r * ulist_i[jjup] -
+           a_i * ulist_r[jjup]);
 
         rootpq = rootpqarray[ma + 1][j - mb];
-        uarray_r[j][ma + 1][mb] =
+        ulist_r[jju+1] =
           -rootpq *
-          (b_r * uarray_r[j - 1][ma][mb] +
-           b_i * uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma + 1][mb] =
+          (b_r * ulist_r[jjup] +
+           b_i * ulist_i[jjup]);
+        ulist_i[jju+1] =
           -rootpq *
-          (b_r * uarray_i[j - 1][ma][mb] -
-           b_i * uarray_r[j - 1][ma][mb]);
+          (b_r * ulist_i[jjup] -
+           b_i * ulist_r[jjup]);
+        jju++;
+        jjup++;
       }
+      jju++;
     }
 
     // copy left side to right side with inversion symmetry VMK 4.4(2)
     // u[ma-j][mb-j] = (-1)^(ma-mb)*Conj([u[ma][mb])
 
-    int mbpar = -1;
+    jju = idxu_block[j];
+    jjup = jju+(j+1)*(j+1)-1;
+    int mbpar = 1;
     for (int mb = 0; 2*mb <= j; mb++) {
-      mbpar = -mbpar;
-      int mapar = -mbpar;
+      int mapar = mbpar;
       for (int ma = 0; ma <= j; ma++) {
-        mapar = -mapar;
         if (mapar == 1) {
-          uarray_r[j][j-ma][j-mb] = uarray_r[j][ma][mb];
-          uarray_i[j][j-ma][j-mb] = -uarray_i[j][ma][mb];
+          ulist_r[jjup] = ulist_r[jju];
+          ulist_i[jjup] = -ulist_i[jju];
         } else {
-          uarray_r[j][j-ma][j-mb] = -uarray_r[j][ma][mb];
-          uarray_i[j][j-ma][j-mb] = uarray_i[j][ma][mb];
+          ulist_r[jjup] = -ulist_r[jju];
+          ulist_i[jjup] = ulist_i[jju];
         }
+        mapar = -mapar;
+        jju++;
+        jjup--;
       }
-    }
-  }
-}
-
-void SNA::compute_uarray_omp(double x, double y, double z,
-                             double z0, double r, int /*sub_threads*/)
-{
-  double r0inv;
-  double a_r, b_r, a_i, b_i;
-  double rootpq;
-
-  // compute Cayley-Klein parameters for unit quaternion
-
-  r0inv = 1.0 / sqrt(r * r + z0 * z0);
-  a_r = r0inv * z0;
-  a_i = -r0inv * z;
-  b_r = r0inv * y;
-  b_i = -r0inv * x;
-
-  // VMK Section 4.8.2
-
-  uarray_r[0][0][0] = 1.0;
-  uarray_i[0][0][0] = 0.0;
-
-  for (int j = 1; j <= twojmax; j++) {
-#if defined(_OPENMP)
-#pragma omp for
-#endif
-    for (int mb = 0; mb < j; mb++) {
-      uarray_r[j][0][mb] = 0.0;
-      uarray_i[j][0][mb] = 0.0;
-
-      for (int ma = 0; ma < j; ma++) {
-        rootpq = rootpqarray[j - ma][j - mb];
-        uarray_r[j][ma][mb] +=
-          rootpq *
-          (a_r * uarray_r[j - 1][ma][mb] +
-           a_i * uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma][mb] +=
-          rootpq *
-          (a_r * uarray_i[j - 1][ma][mb] -
-           a_i * uarray_r[j - 1][ma][mb]);
-
-        rootpq = rootpqarray[ma + 1][j - mb];
-        uarray_r[j][ma + 1][mb] =
-          -rootpq *
-          (b_r * uarray_r[j - 1][ma][mb] +
-           b_i * uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma + 1][mb] =
-          -rootpq *
-          (b_r * uarray_i[j - 1][ma][mb] -
-           b_i * uarray_r[j - 1][ma][mb]);
-      }
-    }
-
-    int mb = j;
-    uarray_r[j][0][mb] = 0.0;
-    uarray_i[j][0][mb] = 0.0;
-
-#if defined(_OPENMP)
-#pragma omp for
-#endif
-    for (int ma = 0; ma < j; ma++) {
-      rootpq = rootpqarray[j - ma][mb];
-      uarray_r[j][ma][mb] +=
-        rootpq *
-        (b_r * uarray_r[j - 1][ma][mb - 1] -
-         b_i * uarray_i[j - 1][ma][mb - 1]);
-      uarray_i[j][ma][mb] +=
-        rootpq *
-        (b_r * uarray_i[j - 1][ma][mb - 1] +
-         b_i * uarray_r[j - 1][ma][mb - 1]);
-
-      rootpq = rootpqarray[ma + 1][mb];
-      uarray_r[j][ma + 1][mb] =
-        rootpq *
-        (a_r * uarray_r[j - 1][ma][mb - 1] -
-         a_i * uarray_i[j - 1][ma][mb - 1]);
-      uarray_i[j][ma + 1][mb] =
-        rootpq *
-        (a_r * uarray_i[j - 1][ma][mb - 1] +
-         a_i * uarray_r[j - 1][ma][mb - 1]);
+      mbpar = -mbpar;
     }
   }
 }
 
 /* ----------------------------------------------------------------------
-   compute derivatives of Wigner U-functions for one neighbor
+   Compute derivatives of Wigner U-functions for one neighbor
    see comments in compute_uarray()
 ------------------------------------------------------------------------- */
 
 void SNA::compute_duarray(double x, double y, double z,
                           double z0, double r, double dz0dr,
-                          double wj, double rcut)
+                          double wj, double rcut, int jj)
 {
   double r0inv;
   double a_r, a_i, b_r, b_i;
@@ -1363,93 +1051,86 @@ void SNA::compute_duarray(double x, double y, double z,
   db_i[0] += -r0inv;
   db_r[1] += r0inv;
 
-  uarray_r[0][0][0] = 1.0;
-  duarray_r[0][0][0][0] = 0.0;
-  duarray_r[0][0][0][1] = 0.0;
-  duarray_r[0][0][0][2] = 0.0;
-  uarray_i[0][0][0] = 0.0;
-  duarray_i[0][0][0][0] = 0.0;
-  duarray_i[0][0][0][1] = 0.0;
-  duarray_i[0][0][0][2] = 0.0;
+  double* ulist_r = ulist_r_ij[jj];
+  double* ulist_i = ulist_i_ij[jj];
+
+  dulist_r[0][0] = 0.0;
+  dulist_r[0][1] = 0.0;
+  dulist_r[0][2] = 0.0;
+  dulist_i[0][0] = 0.0;
+  dulist_i[0][1] = 0.0;
+  dulist_i[0][2] = 0.0;
 
   for (int j = 1; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    int jjup = idxu_block[j-1];
     for (int mb = 0; 2*mb <= j; mb++) {
-      uarray_r[j][0][mb] = 0.0;
-      duarray_r[j][0][mb][0] = 0.0;
-      duarray_r[j][0][mb][1] = 0.0;
-      duarray_r[j][0][mb][2] = 0.0;
-      uarray_i[j][0][mb] = 0.0;
-      duarray_i[j][0][mb][0] = 0.0;
-      duarray_i[j][0][mb][1] = 0.0;
-      duarray_i[j][0][mb][2] = 0.0;
+      dulist_r[jju][0] = 0.0;
+      dulist_r[jju][1] = 0.0;
+      dulist_r[jju][2] = 0.0;
+      dulist_i[jju][0] = 0.0;
+      dulist_i[jju][1] = 0.0;
+      dulist_i[jju][2] = 0.0;
 
       for (int ma = 0; ma < j; ma++) {
         rootpq = rootpqarray[j - ma][j - mb];
-        uarray_r[j][ma][mb] += rootpq *
-                               (a_r *  uarray_r[j - 1][ma][mb] +
-                                a_i *  uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma][mb] += rootpq *
-                               (a_r *  uarray_i[j - 1][ma][mb] -
-                                a_i *  uarray_r[j - 1][ma][mb]);
-
         for (int k = 0; k < 3; k++) {
-          duarray_r[j][ma][mb][k] +=
-            rootpq * (da_r[k] * uarray_r[j - 1][ma][mb] +
-                      da_i[k] * uarray_i[j - 1][ma][mb] +
-                      a_r * duarray_r[j - 1][ma][mb][k] +
-                      a_i * duarray_i[j - 1][ma][mb][k]);
-          duarray_i[j][ma][mb][k] +=
-            rootpq * (da_r[k] * uarray_i[j - 1][ma][mb] -
-                      da_i[k] * uarray_r[j - 1][ma][mb] +
-                      a_r * duarray_i[j - 1][ma][mb][k] -
-                      a_i * duarray_r[j - 1][ma][mb][k]);
+          dulist_r[jju][k] +=
+            rootpq * (da_r[k] * ulist_r[jjup] +
+                      da_i[k] * ulist_i[jjup] +
+                      a_r * dulist_r[jjup][k] +
+                      a_i * dulist_i[jjup][k]);
+          dulist_i[jju][k] +=
+            rootpq * (da_r[k] * ulist_i[jjup] -
+                      da_i[k] * ulist_r[jjup] +
+                      a_r * dulist_i[jjup][k] -
+                      a_i * dulist_r[jjup][k]);
         }
 
         rootpq = rootpqarray[ma + 1][j - mb];
-        uarray_r[j][ma + 1][mb] =
-          -rootpq * (b_r *  uarray_r[j - 1][ma][mb] +
-                     b_i *  uarray_i[j - 1][ma][mb]);
-        uarray_i[j][ma + 1][mb] =
-          -rootpq * (b_r *  uarray_i[j - 1][ma][mb] -
-                     b_i *  uarray_r[j - 1][ma][mb]);
-
         for (int k = 0; k < 3; k++) {
-          duarray_r[j][ma + 1][mb][k] =
-            -rootpq * (db_r[k] * uarray_r[j - 1][ma][mb] +
-                       db_i[k] * uarray_i[j - 1][ma][mb] +
-                       b_r * duarray_r[j - 1][ma][mb][k] +
-                       b_i * duarray_i[j - 1][ma][mb][k]);
-          duarray_i[j][ma + 1][mb][k] =
-            -rootpq * (db_r[k] * uarray_i[j - 1][ma][mb] -
-                       db_i[k] * uarray_r[j - 1][ma][mb] +
-                       b_r * duarray_i[j - 1][ma][mb][k] -
-                       b_i * duarray_r[j - 1][ma][mb][k]);
+          dulist_r[jju+1][k] =
+            -rootpq * (db_r[k] * ulist_r[jjup] +
+                       db_i[k] * ulist_i[jjup] +
+                       b_r * dulist_r[jjup][k] +
+                       b_i * dulist_i[jjup][k]);
+          dulist_i[jju+1][k] =
+            -rootpq * (db_r[k] * ulist_i[jjup] -
+                       db_i[k] * ulist_r[jjup] +
+                       b_r * dulist_i[jjup][k] -
+                       b_i * dulist_r[jjup][k]);
         }
+        jju++;
+        jjup++;
       }
+      jju++;
     }
 
-    int mbpar = -1;
+    // copy left side to right side with inversion symmetry VMK 4.4(2)
+    // u[ma-j][mb-j] = (-1)^(ma-mb)*Conj([u[ma][mb])
+
+    jju = idxu_block[j];
+    jjup = jju+(j+1)*(j+1)-1;
+    int mbpar = 1;
     for (int mb = 0; 2*mb <= j; mb++) {
-      mbpar = -mbpar;
-      int mapar = -mbpar;
+      int mapar = mbpar;
       for (int ma = 0; ma <= j; ma++) {
-        mapar = -mapar;
         if (mapar == 1) {
-          uarray_r[j][j-ma][j-mb] = uarray_r[j][ma][mb];
-          uarray_i[j][j-ma][j-mb] = -uarray_i[j][ma][mb];
           for (int k = 0; k < 3; k++) {
-            duarray_r[j][j-ma][j-mb][k] = duarray_r[j][ma][mb][k];
-            duarray_i[j][j-ma][j-mb][k] = -duarray_i[j][ma][mb][k];
+            dulist_r[jjup][k] = dulist_r[jju][k];
+            dulist_i[jjup][k] = -dulist_i[jju][k];
           }
         } else {
-          uarray_r[j][j-ma][j-mb] = -uarray_r[j][ma][mb];
-          uarray_i[j][j-ma][j-mb] = uarray_i[j][ma][mb];
           for (int k = 0; k < 3; k++) {
-            duarray_r[j][j-ma][j-mb][k] = -duarray_r[j][ma][mb][k];
-            duarray_i[j][j-ma][j-mb][k] = duarray_i[j][ma][mb][k];
+            dulist_r[jjup][k] = -dulist_r[jju][k];
+            dulist_i[jjup][k] = dulist_i[jju][k];
           }
         }
+        mapar = -mapar;
+        jju++;
+        jjup--;
       }
+      mbpar = -mbpar;
     }
   }
 
@@ -1458,23 +1139,25 @@ void SNA::compute_duarray(double x, double y, double z,
 
   sfac *= wj;
   dsfac *= wj;
-
-  for (int j = 0; j <= twojmax; j++)
-    for (int ma = 0; ma <= j; ma++)
-      for (int mb = 0; mb <= j; mb++) {
-        duarray_r[j][ma][mb][0] = dsfac * uarray_r[j][ma][mb] * ux +
-                                  sfac * duarray_r[j][ma][mb][0];
-        duarray_i[j][ma][mb][0] = dsfac * uarray_i[j][ma][mb] * ux +
-                                  sfac * duarray_i[j][ma][mb][0];
-        duarray_r[j][ma][mb][1] = dsfac * uarray_r[j][ma][mb] * uy +
-                                  sfac * duarray_r[j][ma][mb][1];
-        duarray_i[j][ma][mb][1] = dsfac * uarray_i[j][ma][mb] * uy +
-                                  sfac * duarray_i[j][ma][mb][1];
-        duarray_r[j][ma][mb][2] = dsfac * uarray_r[j][ma][mb] * uz +
-                                  sfac * duarray_r[j][ma][mb][2];
-        duarray_i[j][ma][mb][2] = dsfac * uarray_i[j][ma][mb] * uz +
-                                  sfac * duarray_i[j][ma][mb][2];
+  for (int j = 0; j <= twojmax; j++) {
+    int jju = idxu_block[j];
+    for (int mb = 0; 2*mb <= j; mb++)
+      for (int ma = 0; ma <= j; ma++) {
+        dulist_r[jju][0] = dsfac * ulist_r[jju] * ux +
+                                  sfac * dulist_r[jju][0];
+        dulist_i[jju][0] = dsfac * ulist_i[jju] * ux +
+                                  sfac * dulist_i[jju][0];
+        dulist_r[jju][1] = dsfac * ulist_r[jju] * uy +
+                                  sfac * dulist_r[jju][1];
+        dulist_i[jju][1] = dsfac * ulist_i[jju] * uy +
+                                  sfac * dulist_i[jju][1];
+        dulist_r[jju][2] = dsfac * ulist_r[jju] * uz +
+                                  sfac * dulist_r[jju][2];
+        dulist_i[jju][2] = dsfac * ulist_i[jju] * uz +
+                                  sfac * dulist_i[jju][2];
+        jju++;
       }
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1483,87 +1166,92 @@ void SNA::compute_duarray(double x, double y, double z,
 
 double SNA::memory_usage()
 {
+  int jdimpq = twojmax + 2;
   int jdim = twojmax + 1;
   double bytes;
-  bytes = jdim * jdim * jdim * jdim * jdim * sizeof(double);
-  bytes += 2 * jdim * jdim * jdim * sizeof(complex<double>);
-  bytes += 2 * jdim * jdim * jdim * sizeof(double);
-  bytes += jdim * jdim * jdim * 3 * sizeof(complex<double>);
-  bytes += jdim * jdim * jdim * 3 * sizeof(double);
-  bytes += ncoeff * sizeof(double);
-  bytes += jdim * jdim * jdim * jdim * jdim * sizeof(complex<double>);
+
+  bytes = 0;
+
+  bytes += jdimpq*jdimpq * sizeof(double);               // pqarray
+  bytes += idxcg_max * sizeof(double);                   // cglist
+
+  bytes += nmax * idxu_max * sizeof(double) * 2;         // ulist_ij
+  bytes += idxu_max * sizeof(double) * 2;                // ulisttot
+  bytes += idxu_max * 3 * sizeof(double) * 2;            // dulist
+
+  bytes += idxz_max * sizeof(double) * 2;                // zlist
+  bytes += idxb_max * sizeof(double);                    // blist
+  bytes += idxb_max * 3 * sizeof(double);                // dblist
+  bytes += idxu_max * sizeof(double) * 2;                // ylist
+
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxcg_block
+  bytes += jdim * sizeof(int);                           // idxu_block
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxz_block
+  bytes += jdim * jdim * jdim * sizeof(int);             // idxb_block
+
+  bytes += idxz_max * sizeof(SNA_ZINDICES);              // idxz
+  bytes += idxb_max * sizeof(SNA_BINDICES);              // idxb
+
+  bytes += jdim * sizeof(double);                        // bzero
+
+  bytes += nmax * 3 * sizeof(double);                    // rij
+  bytes += nmax * sizeof(int);                           // inside
+  bytes += nmax * sizeof(double);                        // wj
+  bytes += nmax * sizeof(double);                        // rcutij
+
   return bytes;
 }
-
 /* ---------------------------------------------------------------------- */
 
 void SNA::create_twojmax_arrays()
 {
-  int jdim = twojmax + 1;
-
-  memory->create(cgarray, jdim, jdim, jdim, jdim, jdim,
-                 "sna:cgarray");
-  memory->create(rootpqarray, jdim+1, jdim+1,
+  int jdimpq = twojmax + 2;
+  memory->create(rootpqarray, jdimpq, jdimpq,
                  "sna:rootpqarray");
-  memory->create(barray, jdim, jdim, jdim,
-                 "sna:barray");
-  memory->create(dbarray, jdim, jdim, jdim, 3,
-                 "sna:dbarray");
-
-  memory->create(duarray_r, jdim, jdim, jdim, 3,
-                 "sna:duarray");
-  memory->create(duarray_i, jdim, jdim, jdim, 3,
-                 "sna:duarray");
-
-  memory->create(uarray_r, jdim, jdim, jdim,
-                 "sna:uarray");
-  memory->create(uarray_i, jdim, jdim, jdim,
-                 "sna:uarray");
+  memory->create(cglist, idxcg_max, "sna:cglist");
+  memory->create(ulisttot_r, idxu_max, "sna:ulisttot");
+  memory->create(ulisttot_i, idxu_max, "sna:ulisttot");
+  memory->create(dulist_r, idxu_max, 3, "sna:dulist");
+  memory->create(dulist_i, idxu_max, 3, "sna:dulist");
+  memory->create(zlist_r, idxz_max, "sna:zlist");
+  memory->create(zlist_i, idxz_max, "sna:zlist");
+  memory->create(blist, idxb_max, "sna:blist");
+  memory->create(dblist, idxb_max, 3, "sna:dblist");
+  memory->create(ylist_r, idxu_max, "sna:ylist");
+  memory->create(ylist_i, idxu_max, "sna:ylist");
 
   if (bzero_flag)
-    memory->create(bzero, jdim,"sna:bzero");
+    memory->create(bzero, twojmax+1,"sna:bzero");
   else
     bzero = NULL;
 
-
-  if(!use_shared_arrays) {
-    memory->create(uarraytot_r, jdim, jdim, jdim,
-                   "sna:uarraytot");
-    memory->create(zarray_r, jdim, jdim, jdim, jdim, jdim,
-                   "sna:zarray");
-    memory->create(uarraytot_i, jdim, jdim, jdim,
-                   "sna:uarraytot");
-    memory->create(zarray_i, jdim, jdim, jdim, jdim, jdim,
-                   "sna:zarray");
-  }
-
 }
 
 /* ---------------------------------------------------------------------- */
 
 void SNA::destroy_twojmax_arrays()
 {
-  memory->destroy(cgarray);
   memory->destroy(rootpqarray);
-  memory->destroy(barray);
-
-  memory->destroy(dbarray);
-
-  memory->destroy(duarray_r);
-  memory->destroy(duarray_i);
-
-  memory->destroy(uarray_r);
-  memory->destroy(uarray_i);
+  memory->destroy(cglist);
+  memory->destroy(ulisttot_r);
+  memory->destroy(ulisttot_i);
+  memory->destroy(dulist_r);
+  memory->destroy(dulist_i);
+  memory->destroy(zlist_r);
+  memory->destroy(zlist_i);
+  memory->destroy(blist);
+  memory->destroy(dblist);
+  memory->destroy(ylist_r);
+  memory->destroy(ylist_i);
+
+  memory->destroy(idxcg_block);
+  memory->destroy(idxu_block);
+  memory->destroy(idxz_block);
+  memory->destroy(idxb_block);
 
   if (bzero_flag)
     memory->destroy(bzero);
 
-  if(!use_shared_arrays) {
-    memory->destroy(uarraytot_r);
-    memory->destroy(zarray_r);
-    memory->destroy(uarraytot_i);
-    memory->destroy(zarray_i);
-  }
 }
 
 /* ----------------------------------------------------------------------
@@ -1779,28 +1467,33 @@ void SNA::init_clebsch_gordan()
   int m, aa2, bb2, cc2;
   int ifac;
 
-  for (int j1 = 0; j1 <= twojmax; j1++)
-    for (int j2 = 0; j2 <= twojmax; j2++)
-      for (int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2)
-        for (int m1 = 0; m1 <= j1; m1 += 1) {
+  int idxcg_count = 0;
+  for(int j1 = 0; j1 <= twojmax; j1++)
+    for(int j2 = 0; j2 <= j1; j2++)
+      for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) {
+        for (int m1 = 0; m1 <= j1; m1++) {
           aa2 = 2 * m1 - j1;
 
-          for (int m2 = 0; m2 <= j2; m2 += 1) {
+          for (int m2 = 0; m2 <= j2; m2++) {
 
             // -c <= cc <= c
 
             bb2 = 2 * m2 - j2;
             m = (aa2 + bb2 + j) / 2;
 
-            if(m < 0 || m > j) continue;
+            if(m < 0 || m > j) {
+              cglist[idxcg_count] = 0.0;
+              idxcg_count++;
+              continue;
+            }
 
             sum = 0.0;
 
             for (int z = MAX(0, MAX(-(j - j2 + aa2)
-                                   / 2, -(j - j1 - bb2) / 2));
-                z <= MIN((j1 + j2 - j) / 2,
-                         MIN((j1 - aa2) / 2, (j2 + bb2) / 2));
-                z++) {
+                                    / 2, -(j - j1 - bb2) / 2));
+                 z <= MIN((j1 + j2 - j) / 2,
+                          MIN((j1 - aa2) / 2, (j2 + bb2) / 2));
+                 z++) {
               ifac = z % 2 ? -1 : 1;
               sum += ifac /
                 (factorial(z) *
@@ -1810,20 +1503,22 @@ void SNA::init_clebsch_gordan()
                  factorial((j - j2 + aa2) / 2 + z) *
                  factorial((j - j1 - bb2) / 2 + z));
             }
-
+            
             cc2 = 2 * m - j;
             dcg = deltacg(j1, j2, j);
             sfaccg = sqrt(factorial((j1 + aa2) / 2) *
-                        factorial((j1 - aa2) / 2) *
-                        factorial((j2 + bb2) / 2) *
-                        factorial((j2 - bb2) / 2) *
-                        factorial((j  + cc2) / 2) *
-                        factorial((j  - cc2) / 2) *
-                        (j + 1));
-
-            cgarray[j1][j2][j][m1][m2] = sum * dcg * sfaccg;
+                          factorial((j1 - aa2) / 2) *
+                          factorial((j2 + bb2) / 2) *
+                          factorial((j2 - bb2) / 2) *
+                          factorial((j  + cc2) / 2) *
+                          factorial((j  - cc2) / 2) *
+                          (j + 1));
+            
+            cglist[idxcg_count] = sum * dcg * sfaccg;
+            idxcg_count++;
           }
         }
+      }
 }
 
 /* ----------------------------------------------------------------------
@@ -1838,74 +1533,6 @@ void SNA::init_rootpqarray()
       rootpqarray[p][q] = sqrt(static_cast<double>(p)/q);
 }
 
-/* ----------------------------------------------------------------------
-   a = j/2
-------------------------------------------------------------------------- */
-
-void SNA::jtostr(char* str, int j)
-{
-  if(j % 2 == 0)
-    sprintf(str, "%d", j / 2);
-  else
-    sprintf(str, "%d/2", j);
-}
-
-/* ----------------------------------------------------------------------
-   aa = m - j/2
-------------------------------------------------------------------------- */
-
-void SNA::mtostr(char* str, int j, int m)
-{
-  if(j % 2 == 0)
-    sprintf(str, "%d", m - j / 2);
-  else
-    sprintf(str, "%d/2", 2 * m - j);
-}
-
-/* ----------------------------------------------------------------------
-   list values of Clebsch-Gordan coefficients
-   using notation of VMK Table 8.11
-------------------------------------------------------------------------- */
-
-void SNA::print_clebsch_gordan(FILE* file)
-{
-  char stra[20], strb[20], strc[20], straa[20], strbb[20], strcc[20];
-  int m, aa2, bb2;
-
-  fprintf(file, "a, aa, b, bb, c, cc, c(a,aa,b,bb,c,cc) \n");
-
-  for (int j1 = 0; j1 <= twojmax; j1++) {
-    jtostr(stra, j1);
-
-    for (int j2 = 0; j2 <= twojmax; j2++) {
-      jtostr(strb, j2);
-
-      for (int j = abs(j1 - j2); j <= MIN(twojmax, j1 + j2); j += 2) {
-        jtostr(strc, j);
-
-        for (int m1 = 0; m1 <= j1; m1 += 1) {
-          mtostr(straa, j1, m1);
-          aa2 = 2 * m1 - j1;
-
-          for (int m2 = 0; m2 <= j2; m2 += 1) {
-            bb2 = 2 * m2 - j2;
-            m = (aa2 + bb2 + j) / 2;
-
-            if(m < 0 || m > j) continue;
-
-            mtostr(strbb, j2, m2);
-            mtostr(strcc, j, m);
-
-            fprintf(file, "%s\t%s\t%s\t%s\t%s\t%s\t%g\n",
-                    stra, straa, strb, strbb, strc, strcc,
-                    cgarray[j1][j2][j][m1][m2]);
-          }
-        }
-      }
-    }
-  }
-}
-
 /* ---------------------------------------------------------------------- */
 
 int SNA::compute_ncoeff()
@@ -1915,25 +1542,10 @@ int SNA::compute_ncoeff()
   ncount = 0;
 
   for (int j1 = 0; j1 <= twojmax; j1++)
-    if(diagonalstyle == 0) {
-      for (int j2 = 0; j2 <= j1; j2++)
-        for (int j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          ncount++;
-    } else if(diagonalstyle == 1) {
-      int j2 = j1;
-
-      for (int j = abs(j1 - j2);
-          j <= MIN(twojmax, j1 + j2); j += 2)
-        ncount++;
-    } else if(diagonalstyle == 2) {
-      ncount++;
-    } else if(diagonalstyle == 3) {
-      for (int j2 = 0; j2 <= j1; j2++)
-        for (int j = abs(j1 - j2);
-            j <= MIN(twojmax, j1 + j2); j += 2)
-          if (j >= j1) ncount++;
-    }
+    for (int j2 = 0; j2 <= j1; j2++)
+      for (int j = j1 - j2;
+           j <= MIN(twojmax, j1 + j2); j += 2)
+        if (j >= j1) ncount++;
 
   return ncount;
 }
diff --git a/src/SNAP/sna.h b/src/SNAP/sna.h
index d05ad0fb8460b0d517752c1326e594f256ed41d6..e6bf4e3f9efc228afea568d54b5e42b9cf40d3da 100644
--- a/src/SNAP/sna.h
+++ b/src/SNAP/sna.h
@@ -18,20 +18,22 @@
 #ifndef LMP_SNA_H
 #define LMP_SNA_H
 
-#include <complex>
 #include "pointers.h"
-#include <ctime>
 
 namespace LAMMPS_NS {
 
-struct SNA_LOOPINDICES {
+struct SNA_ZINDICES {
+  int j1, j2, j, ma1min, ma2max, mb1min, mb2max, na, nb, jju;
+};
+
+struct SNA_BINDICES {
   int j1, j2, j;
 };
 
 class SNA : protected Pointers {
 
 public:
-  SNA(LAMMPS*, double, int, int, int, double, int, int);
+  SNA(LAMMPS*, double, int, double, int, int);
 
   SNA(LAMMPS* lmp) : Pointers(lmp) {};
   ~SNA();
@@ -44,31 +46,21 @@ public:
   // functions for bispectrum coefficients
 
   void compute_ui(int);
-  void compute_ui_omp(int, int);
   void compute_zi();
-  void compute_zi_omp(int);
+  void compute_yi(const double*);
+  void compute_yterm(int, int, int, const double*);
   void compute_bi();
-  void copy_bi2bvec();
 
   // functions for derivatives
 
-  void compute_duidrj(double*, double, double);
+  void compute_duidrj(double*, double, double, int);
   void compute_dbidrj();
-  void compute_dbidrj_nonsymm();
-  void copy_dbi2dbvec();
+  void compute_deidrj(double*);
   double compute_sfac(double, double);
   double compute_dsfac(double, double);
 
-#ifdef TIMING_INFO
-  double* timers;
-  timespec starttime, endtime;
-  int print;
-  int counter;
-#endif
-
-  //per sna class instance for OMP use
-
-  double* bvec, ** dbvec;
+  double* blist;
+  double** dblist;
   double** rij;
   int* inside;
   double* wj;
@@ -77,29 +69,32 @@ public:
 
   void grow_rij(int);
 
-  int twojmax, diagonalstyle;
-  double*** uarraytot_r, *** uarraytot_i;
-  double***** zarray_r, ***** zarray_i;
-  double*** uarraytot_r_b, *** uarraytot_i_b;
-  double***** zarray_r_b, ***** zarray_i_b;
-  double*** uarray_r, *** uarray_i;
+  int twojmax;
 
 private:
   double rmin0, rfac0;
 
-  //use indexlist instead of loops, constructor generates these
-  SNA_LOOPINDICES* idxj;
-  int idxj_max;
   // data for bispectrum coefficients
 
-  double***** cgarray;
+  SNA_ZINDICES* idxz;
+  SNA_BINDICES* idxb;
+  int idxcg_max, idxu_max, idxz_max, idxb_max;
+
   double** rootpqarray;
-  double*** barray;
+  double* cglist;  
+  int*** idxcg_block; 
+
+  double* ulisttot_r, * ulisttot_i;
+  double** ulist_r_ij, ** ulist_i_ij;
+  int* idxu_block;
 
-  // derivatives of data
+  double* zlist_r, * zlist_i;
+  int*** idxz_block;
 
-  double**** duarray_r, **** duarray_i;
-  double**** dbarray;
+  int*** idxb_block;
+
+  double** dulist_r, ** dulist_i;
+  double* ylist_r, * ylist_i;
 
   static const int nmaxfactorial = 167;
   static const double nfac_table[];
@@ -109,27 +104,15 @@ private:
   void destroy_twojmax_arrays();
   void init_clebsch_gordan();
   void init_rootpqarray();
-  void jtostr(char*, int);
-  void mtostr(char*, int, int);
-  void print_clebsch_gordan(FILE*);
   void zero_uarraytot();
   void addself_uarraytot(double);
-  void add_uarraytot(double, double, double);
-  void add_uarraytot_omp(double, double, double);
+  void add_uarraytot(double, double, double, int);
   void compute_uarray(double, double, double,
-                      double, double);
-  void compute_uarray_omp(double, double, double,
-                          double, double, int);
+                      double, double, int);
   double deltacg(int, int, int);
   int compute_ncoeff();
   void compute_duarray(double, double, double,
-                       double, double, double, double, double);
-
-  // if number of atoms are small use per atom arrays
-  // for twojmax arrays, rij, inside, bvec
-  // this will increase the memory footprint considerably,
-  // but allows parallel filling and reuse of these arrays
-  int use_shared_arrays;
+                       double, double, double, double, double, int);
 
   // Sets the style for the switching function
   // 0 = none
@@ -140,7 +123,7 @@ private:
   double wself;
 
   int bzero_flag; // 1 if bzero subtracted from barray
-  double *bzero;  // array of B values for isolated atoms
+  double* bzero;  // array of B values for isolated atoms
 };
 
 }
diff --git a/src/SPIN/README b/src/SPIN/README
index e371e3976746e4b900fca5d135e6dda30831aedd..a4eb4ff22b68ac97bed0b94993206d0264da79c7 100644
--- a/src/SPIN/README
+++ b/src/SPIN/README
@@ -8,13 +8,17 @@ atom in the system
 * integrating the equations of motion for the coupled spin-lattice system
 * implementing magnetic pair interactions and magnetic forces
 * thermostating and applying a transverse damping to the magnetic spins
+* minimizing spin configurations with an adaptive timestep scheme
+* performing geodesic NEB calculations
 * computing and outputing magnetic quantities
+* minimizing the energy or total torque of a magnetic system
 
 The different options provided by this package are explained in the 
 LAMMPS documentation.
 
 Once you have successfully built LAMMPS with this package, you can test 
-it using one of the input files provided from the examples/SPIN dir:
+it using one of the input files provided from the examples/SPIN dir. 
+For example:
 
 ./lmp_serial < lammps/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp
 
diff --git a/src/SPIN/atom_vec_spin.cpp b/src/SPIN/atom_vec_spin.cpp
index 24c4480e049e9ac9fe0de19f7095776d4c04fc42..37d6fb1e5902bb14422b8be3b20ec22935a9e896 100644
--- a/src/SPIN/atom_vec_spin.cpp
+++ b/src/SPIN/atom_vec_spin.cpp
@@ -48,7 +48,7 @@ AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp)
   comm_x_only = 0;
   comm_f_only = 0;
   size_forward = 7;
-  size_reverse = 6;
+  size_reverse = 9;
   size_border = 10;
   size_velocity = 3;
   size_data_atom = 9;
@@ -58,7 +58,6 @@ AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp)
   atom->sp_flag = 1;
 }
 
-
 /* ----------------------------------------------------------------------
    grow atom arrays
    n = 0 grows arrays by a chunk
@@ -88,6 +87,7 @@ void AtomVecSpin::grow(int n)
 
   sp = memory->grow(atom->sp,nmax,4,"atom:sp");
   fm = memory->grow(atom->fm,nmax*comm->nthreads,3,"atom:fm");
+  fm_long = memory->grow(atom->fm_long,nmax*comm->nthreads,3,"atom:fm_long");
 
   if (atom->nextra_grow)
     for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
@@ -103,10 +103,9 @@ void AtomVecSpin::grow_reset()
   tag = atom->tag; type = atom->type;
   mask = atom->mask; image = atom->image;
   x = atom->x; v = atom->v; f = atom->f;
-  sp = atom->sp; fm = atom->fm;
+  sp = atom->sp; fm = atom->fm; fm_long = atom->fm_long;
 }
 
-
 /* ----------------------------------------------------------------------
    copy atom I info to atom J
 ------------------------------------------------------------------------- */
@@ -342,6 +341,9 @@ int AtomVecSpin::pack_reverse(int n, int first, double *buf)
     buf[m++] = fm[i][0];
     buf[m++] = fm[i][1];
     buf[m++] = fm[i][2];
+    buf[m++] = fm_long[i][0];
+    buf[m++] = fm_long[i][1];
+    buf[m++] = fm_long[i][2];
   }
 
   return m;
@@ -361,6 +363,9 @@ void AtomVecSpin::unpack_reverse(int n, int *list, double *buf)
     fm[j][0] += buf[m++];
     fm[j][1] += buf[m++];
     fm[j][2] += buf[m++];
+    fm_long[j][0] += buf[m++];
+    fm_long[j][1] += buf[m++];
+    fm_long[j][2] += buf[m++];
   }
 }
 
@@ -939,14 +944,20 @@ bigint AtomVecSpin::memory_usage()
 
   if (atom->memcheck("sp")) bytes += memory->usage(sp,nmax,4);
   if (atom->memcheck("fm")) bytes += memory->usage(fm,nmax*comm->nthreads,3);
+  if (atom->memcheck("fm_long")) bytes += memory->usage(fm_long,nmax*comm->nthreads,3);
 
   return bytes;
 }
 
+/* ----------------------------------------------------------------------
+   clear all forces (mech and mag)
+------------------------------------------------------------------------- */
+
 void AtomVecSpin::force_clear(int /*n*/, size_t nbytes)
 {
   memset(&atom->f[0][0],0,3*nbytes);
   memset(&atom->fm[0][0],0,3*nbytes);
+  memset(&atom->fm_long[0][0],0,3*nbytes);
 }
 
 
diff --git a/src/SPIN/atom_vec_spin.h b/src/SPIN/atom_vec_spin.h
index 34bc55b99f771792d9285758dbbc0d270698ee5b..1f1c34df520cd0f9c7e827e2cbf3f6ba83598e7f 100644
--- a/src/SPIN/atom_vec_spin.h
+++ b/src/SPIN/atom_vec_spin.h
@@ -68,10 +68,12 @@ class AtomVecSpin : public AtomVec {
   int *type,*mask;
   imageint *image;
   double **x,**v,**f;		// lattice quantities
-  double **sp,**fm;		// spin quantities
-  				// sp[i][0-2] direction of the spin i
+  
+  				// spin quantities
+  double **sp;			// sp[i][0-2] direction of the spin i
 				// sp[i][3] atomic magnetic moment of the spin i
-
+  double **fm;			// fm[i][0-2] direction of magnetic precession
+  double **fm_long;		// storage of long-range spin prec. components
 };
 
 }
diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp
index dc16190c98763053d76fb84e5a423eca570f860d..0a881e1de61834d4c3e6e1ab5aedcd941eaebd95 100644
--- a/src/SPIN/compute_spin.cpp
+++ b/src/SPIN/compute_spin.cpp
@@ -84,7 +84,7 @@ void ComputeSpin::compute_vector()
 
   invoked_vector = update->ntimestep;
 
-  countsp = countsptot = 0.0;	
+  countsp = countsptot = 0.0;
   mag[0] = mag[1] = mag[2] = mag[3] = 0.0;
   magtot[0] = magtot[1] = magtot[2] = magtot[3] = 0.0;
   magenergy = magenergytot = 0.0;
@@ -96,7 +96,7 @@ void ComputeSpin::compute_vector()
   double **sp = atom->sp;
   double **fm = atom->fm;
   double tx,ty,tz;
-	
+
   int nlocal = atom->nlocal;
 
   // compute total magnetization and magnetic energy
@@ -105,16 +105,16 @@ void ComputeSpin::compute_vector()
   for (i = 0; i < nlocal; i++) {
     if (mask[i] & groupbit) {
       if (atom->sp_flag) {
-	mag[0] += sp[i][0];
-	mag[1] += sp[i][1];
-	mag[2] += sp[i][2];
-	magenergy -= (sp[i][0]*fm[i][0] + sp[i][1]*fm[i][1] + sp[i][2]*fm[i][2]);
+        mag[0] += sp[i][0];
+        mag[1] += sp[i][1];
+        mag[2] += sp[i][2];
+        magenergy -= (sp[i][0]*fm[i][0] + sp[i][1]*fm[i][1] + sp[i][2]*fm[i][2]);
         tx = sp[i][1]*fm[i][2]-sp[i][2]*fm[i][1];
         ty = sp[i][2]*fm[i][0]-sp[i][0]*fm[i][2];
         tz = sp[i][0]*fm[i][1]-sp[i][1]*fm[i][0];
         tempnum += tx*tx+ty*ty+tz*tz;
-        tempdenom += sp[i][0]*fm[i][0]+fm[i][1]*sp[i][1]+sp[i][2]*fm[i][2];  	
-	countsp++;
+        tempdenom += sp[i][0]*fm[i][0]+fm[i][1]*sp[i][1]+sp[i][2]*fm[i][2];
+        countsp++;
       }
     }
     else error->all(FLERR,"Compute compute/spin requires atom/spin style");
diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp
index 55b4d8dfec51f091bec6139a86815c251006535a..ec6f719a77b535689ba563b5fb2f1212e9ecf141 100644
--- a/src/SPIN/fix_langevin_spin.cpp
+++ b/src/SPIN/fix_langevin_spin.cpp
@@ -131,8 +131,8 @@ void FixLangevinSpin::init()
   gil_factor = 1.0/(1.0+(alpha_t)*(alpha_t));
   dts = update->dt;
 
-  double hbar = force->hplanck/MY_2PI;	// eV/(rad.THz)
-  double kb = force->boltz;		// eV/K
+  double hbar = force->hplanck/MY_2PI;  // eV/(rad.THz)
+  double kb = force->boltz;             // eV/K
   D = (MY_2PI*alpha_t*gil_factor*kb*temp);
   D /= (hbar*dts);
   sigma = sqrt(2.0*D);
@@ -158,7 +158,7 @@ void FixLangevinSpin::add_tdamping(double spi[3], double fmi[3])
   double cpx = fmi[1]*spi[2] - fmi[2]*spi[1];
   double cpy = fmi[2]*spi[0] - fmi[0]*spi[2];
   double cpz = fmi[0]*spi[1] - fmi[1]*spi[0];
-	
+
   // adding the transverse damping
 
   fmi[0] -= alpha_t*cpx;
diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..a8cb0cd2ca5f85f13d7d2d7dadd0714338effe52
--- /dev/null
+++ b/src/SPIN/fix_neb_spin.cpp
@@ -0,0 +1,1014 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+
+   Please cite the related publication:
+   Bessarab, P. F., Uzdin, V. M., & Jónsson, H. (2015).
+   Method for finding mechanism and activation energy of magnetic transitions,
+   applied to skyrmion and antivortex annihilation.
+   Computer Physics Communications, 196, 335-347.
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cmath>
+#include <cstdlib>
+#include <cstring>
+#include "fix_neb_spin.h"
+#include "universe.h"
+#include "update.h"
+#include "atom.h"
+#include "domain.h"
+#include "comm.h"
+#include "modify.h"
+#include "compute.h"
+#include "group.h"
+#include "memory.h"
+#include "error.h"
+#include "force.h"
+#include "math_const.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace MathConst;
+
+enum{SINGLE_PROC_DIRECT,SINGLE_PROC_MAP,MULTI_PROC};
+
+#define BUFSIZE 8
+
+/* ---------------------------------------------------------------------- */
+
+FixNEBSpin::FixNEBSpin(LAMMPS *lmp, int narg, char **arg) :
+  Fix(lmp, narg, arg), id_pe(NULL), pe(NULL), nlenall(NULL), xprev(NULL),
+  xnext(NULL), fnext(NULL), spprev(NULL), spnext(NULL), fmnext(NULL), springF(NULL),
+  tangent(NULL), xsend(NULL), xrecv(NULL), fsend(NULL), frecv(NULL), spsend(NULL),
+  sprecv(NULL), fmsend(NULL), fmrecv(NULL), tagsend(NULL), tagrecv(NULL),
+  xsendall(NULL), xrecvall(NULL), fsendall(NULL), frecvall(NULL), spsendall(NULL),
+  sprecvall(NULL), fmsendall(NULL), fmrecvall(NULL), tagsendall(NULL), tagrecvall(NULL),
+  counts(NULL), displacements(NULL)
+{
+
+  if (narg < 4) error->all(FLERR,"Illegal fix neb_spin command");
+
+  kspring = force->numeric(FLERR,arg[3]);
+  if (kspring <= 0.0) error->all(FLERR,"Illegal fix neb command");
+
+  // optional params
+
+  NEBLongRange = false; // see if needed (comb. with pppm/spin?)
+  StandardNEB = true;   // only option for now
+  PerpSpring = FreeEndIni = FreeEndFinal = false;
+  FreeEndFinalWithRespToEIni = FinalAndInterWithRespToEIni = false;
+  kspringPerp = 0.0;
+  kspringIni = 1.0;
+  kspringFinal = 1.0;
+  SpinLattice = false;  // no spin-lattice neb for now
+
+  // no available fix neb/spin options for now
+
+  int iarg = 4;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"parallel") == 0) {
+      error->all(FLERR,"Illegal fix neb command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"perp") == 0) {
+      error->all(FLERR,"Illegal fix neb command");
+      iarg += 2;
+    } else if (strcmp (arg[iarg],"end") == 0) {
+      iarg += 3;
+    } else if (strcmp (arg[iarg],"lattice") == 0) {
+      iarg += 2;
+    } else error->all(FLERR,"Illegal fix neb command");
+  }
+
+  // nreplica = number of partitions
+  // ireplica = which world I am in universe
+  // nprocs_universe = # of procs in all replicase
+  // procprev,procnext = root proc in adjacent replicas
+
+  me = comm->me;
+  nprocs = comm->nprocs;
+
+  nprocs_universe = universe->nprocs;
+  nreplica = universe->nworlds;
+  ireplica = universe->iworld;
+
+  if (ireplica > 0) procprev = universe->root_proc[ireplica-1];
+  else procprev = -1;
+  if (ireplica < nreplica-1) procnext = universe->root_proc[ireplica+1];
+  else procnext = -1;
+
+  uworld = universe->uworld;
+  int *iroots = new int[nreplica];
+  MPI_Group uworldgroup,rootgroup;
+  if (NEBLongRange) {
+    for (int i=0; i<nreplica; i++)
+      iroots[i] = universe->root_proc[i];
+    MPI_Comm_group(uworld, &uworldgroup);
+    MPI_Group_incl(uworldgroup, nreplica, iroots, &rootgroup);
+    MPI_Comm_create(uworld, rootgroup, &rootworld);
+  }
+  delete [] iroots;
+
+  // create a new compute pe style
+  // id = fix-ID + pe, compute group = all
+
+  int n = strlen(id) + 4;
+  id_pe = new char[n];
+  strcpy(id_pe,id);
+  strcat(id_pe,"_pe");
+
+  char **newarg = new char*[3];
+  newarg[0] = id_pe;
+  newarg[1] = (char *) "all";
+  newarg[2] = (char *) "pe";
+  modify->add_compute(3,newarg);
+  delete [] newarg;
+
+  // initialize local storage
+
+  maxlocal = -1;
+  ntotal = -1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixNEBSpin::~FixNEBSpin()
+{
+  modify->delete_compute(id_pe);
+  delete [] id_pe;
+
+  // memory destroy of all spin and lattice arrays
+
+  memory->destroy(xprev);
+  memory->destroy(xnext);
+  memory->destroy(tangent);
+  memory->destroy(fnext);
+  memory->destroy(spprev);
+  memory->destroy(spnext);
+  memory->destroy(fmnext);
+  memory->destroy(springF);
+  memory->destroy(xsend);
+  memory->destroy(xrecv);
+  memory->destroy(fsend);
+  memory->destroy(frecv);
+  memory->destroy(spsend);
+  memory->destroy(sprecv);
+  memory->destroy(fmsend);
+  memory->destroy(fmrecv);
+  memory->destroy(tagsend);
+  memory->destroy(tagrecv);
+
+  memory->destroy(xsendall);
+  memory->destroy(xrecvall);
+  memory->destroy(fsendall);
+  memory->destroy(frecvall);
+  memory->destroy(spsendall);
+  memory->destroy(sprecvall);
+  memory->destroy(fmsendall);
+  memory->destroy(fmrecvall);
+  memory->destroy(tagsendall);
+  memory->destroy(tagrecvall);
+
+  memory->destroy(counts);
+  memory->destroy(displacements);
+
+  if (NEBLongRange) {
+    if (rootworld != MPI_COMM_NULL) MPI_Comm_free(&rootworld);
+    memory->destroy(nlenall);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixNEBSpin::setmask()
+{
+  int mask = 0;
+  mask |= MIN_POST_FORCE;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixNEBSpin::init()
+{
+  int icompute = modify->find_compute(id_pe);
+  if (icompute < 0)
+    error->all(FLERR,"Potential energy ID for fix neb does not exist");
+  pe = modify->compute[icompute];
+
+  // turn off climbing mode, NEB command turns it on after init()
+
+  rclimber = -1;
+
+  // nebatoms = # of atoms in fix group = atoms with inter-replica forces
+
+  bigint count = group->count(igroup);
+  if (count > MAXSMALLINT) error->all(FLERR,"Too many active NEB atoms");
+  nebatoms = count;
+
+  // comm mode for inter-replica exchange of coords
+
+  if (nreplica == nprocs_universe &&
+      nebatoms == atom->natoms && atom->sortfreq == 0)
+    cmode = SINGLE_PROC_DIRECT;
+  else if (nreplica == nprocs_universe) cmode = SINGLE_PROC_MAP;
+  else cmode = MULTI_PROC;
+
+  // ntotal = total # of atoms in system, NEB atoms or not
+
+  if (atom->natoms > MAXSMALLINT) error->all(FLERR,"Too many atoms for NEB");
+  ntotal = atom->natoms;
+
+  if (atom->nmax > maxlocal) reallocate();
+
+  if (MULTI_PROC && counts == NULL) {
+    memory->create(xsendall,ntotal,3,"neb:xsendall");
+    memory->create(xrecvall,ntotal,3,"neb:xrecvall");
+    memory->create(fsendall,ntotal,3,"neb:fsendall");
+    memory->create(frecvall,ntotal,3,"neb:frecvall");
+    memory->create(tagsendall,ntotal,"neb:tagsendall");
+    memory->create(tagrecvall,ntotal,"neb:tagrecvall");
+    memory->create(spsendall,ntotal,3,"neb:xsendall");
+    memory->create(sprecvall,ntotal,3,"neb:xrecvall");
+    memory->create(fmsendall,ntotal,3,"neb:fsendall");
+    memory->create(fmrecvall,ntotal,3,"neb:frecvall");
+    memory->create(counts,nprocs,"neb:counts");
+    memory->create(displacements,nprocs,"neb:displacements");
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixNEBSpin::min_setup(int vflag)
+{
+  min_post_force(vflag);
+
+  // trigger potential energy computation on next timestep
+
+  pe->addstep(update->ntimestep+1);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixNEBSpin::min_post_force(int /*vflag*/)
+{
+  double vprev,vnext;
+  double delspxp,delspyp,delspzp;
+  double delspxn,delspyn,delspzn;
+  double templen;
+  double vIni=0.0;
+  double spi[3],spj[3];
+
+  vprev = vnext = veng = pe->compute_scalar();
+
+  if (ireplica < nreplica-1 && me == 0)
+    MPI_Send(&veng,1,MPI_DOUBLE,procnext,0,uworld);
+  if (ireplica > 0 && me == 0)
+    MPI_Recv(&vprev,1,MPI_DOUBLE,procprev,0,uworld,MPI_STATUS_IGNORE);
+
+  if (ireplica > 0 && me == 0)
+    MPI_Send(&veng,1,MPI_DOUBLE,procprev,0,uworld);
+  if (ireplica < nreplica-1 && me == 0)
+    MPI_Recv(&vnext,1,MPI_DOUBLE,procnext,0,uworld,MPI_STATUS_IGNORE);
+
+  if (cmode == MULTI_PROC) {
+    MPI_Bcast(&vprev,1,MPI_DOUBLE,0,world);
+    MPI_Bcast(&vnext,1,MPI_DOUBLE,0,world);
+  }
+
+  if (FreeEndFinal && ireplica == nreplica-1 && (update->ntimestep == 0))
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+
+  if (ireplica == 0) vIni=veng;
+
+  if (FreeEndFinalWithRespToEIni)
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+
+  if (FreeEndIni && ireplica == 0 && (update->ntimestep == 0))
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+
+
+  // communicate atoms to/from adjacent replicas to fill xprev,xnext
+
+  inter_replica_comm();
+
+  // trigger potential energy computation on next timestep
+
+  pe->addstep(update->ntimestep+1);
+
+  int nlocal = atom->nlocal;
+  int *mask = atom->mask;
+  double **sp = atom->sp;
+  double dot = 0.0;
+  double prefactor = 0.0;
+  double **fm = atom->fm;
+
+  //calculating separation between images
+
+  plen = 0.0;
+  nlen = 0.0;
+  double tlen = 0.0;
+  double gradnextlen = 0.0;
+  double delndots = 0.0;
+  double delpdots = 0.0;
+
+  dotgrad = gradlen = dotpath = dottangrad = 0.0;
+
+  // computation of the tangent vector
+
+  if (ireplica == nreplica-1) {        // final replica
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+
+        // tangent vector
+
+        delspxp = sp[i][0] - spprev[i][0];
+        delspyp = sp[i][1] - spprev[i][1];
+        delspzp = sp[i][2] - spprev[i][2];
+
+        // project delp vector on tangent space
+
+        delpdots = delspxp*sp[i][0]+delspyp*sp[i][1]+delspzp*sp[i][2];
+        delspxp -= delpdots*sp[i][0];
+        delspyp -= delpdots*sp[i][1];
+        delspzp -= delpdots*sp[i][2];
+
+        // calc. geodesic length
+
+        spi[0] = sp[i][0];
+        spi[1] = sp[i][1];
+        spi[2] = sp[i][2];
+        spj[0] = spprev[i][0];
+        spj[1] = spprev[i][1];
+        spj[2] = spprev[i][2];
+        templen = geodesic_distance(spi,spj);
+        plen += templen*templen;
+        dottangrad += delspxp*fm[i][0]+ delspyp*fm[i][1]+delspzp*fm[i][2];
+        gradlen += fm[i][0]*fm[i][0] + fm[i][1]*fm[i][1] + fm[i][2]*fm[i][2];
+
+        // no free end option for now
+
+        if (FreeEndFinal||FreeEndFinalWithRespToEIni)
+          error->all(FLERR,"Free End option not yet active");
+
+      }
+  } else if (ireplica == 0) {        // initial replica
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+
+        // tangent vector
+
+        delspxn = spnext[i][0]- sp[i][0];
+        delspyn = spnext[i][1]- sp[i][1];
+        delspzn = spnext[i][2]- sp[i][2];
+
+        // project deln vector on tangent space
+
+        delndots = delspxn*sp[i][0]+delspyn*sp[i][1]+delspzn*sp[i][2];
+        delspxn -= delndots*sp[i][0];
+        delspyn -= delndots*sp[i][1];
+        delspzn -= delndots*sp[i][2];
+
+        // calc. geodesic length
+
+        spi[0]=sp[i][0];
+        spi[1]=sp[i][1];
+        spi[2]=sp[i][2];
+        spj[0]=spnext[i][0];
+        spj[1]=spnext[i][1];
+        spj[2]=spnext[i][2];
+        templen = geodesic_distance(spi,spj);
+        nlen += templen*templen;
+        dottangrad += delspxn*fm[i][0] + delspyn*fm[i][1] + delspzn*fm[i][2];
+        gradlen += fm[i][0]*fm[i][0] + fm[i][1]*fm[i][1] + fm[i][2]*fm[i][2];
+
+        // no free end option for now
+
+        if (FreeEndIni)
+          error->all(FLERR,"Free End option not yet active");
+
+      }
+  } else {                        // intermediate replica
+
+    double vmax = MAX(fabs(vnext-veng),fabs(vprev-veng));
+    double vmin = MIN(fabs(vnext-veng),fabs(vprev-veng));
+
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+
+        // calc. delp vector
+
+        delspxp = sp[i][0] - spprev[i][0];
+        delspyp = sp[i][1] - spprev[i][1];
+        delspzp = sp[i][2] - spprev[i][2];
+
+        // project delp vector on tangent space
+
+        delndots = delspxp*sp[i][0]+delspyp*sp[i][1]+delspzp*sp[i][2];
+        delspxp -= delpdots*sp[i][0];
+        delspyp -= delpdots*sp[i][1];
+        delspzp -= delpdots*sp[i][2];
+
+        // calc. prev. geodesic length
+
+        spi[0]=sp[i][0];
+        spi[1]=sp[i][1];
+        spi[2]=sp[i][2];
+        spj[0]=spprev[i][0];
+        spj[1]=spprev[i][1];
+        spj[2]=spprev[i][2];
+        templen = geodesic_distance(spi, spj);
+        plen += templen*templen;
+
+        // calc. deln vector
+
+        delspxn = spnext[i][0] - sp[i][0];
+        delspyn = spnext[i][1] - sp[i][1];
+        delspzn = spnext[i][2] - sp[i][2];
+
+        // project deln vector on tangent space
+
+        delndots = delspxn*sp[i][0]+delspyn*sp[i][1]+delspzn*sp[i][2];
+        delspxn -= delndots*sp[i][0];
+        delspyn -= delndots*sp[i][1];
+        delspzn -= delndots*sp[i][2];
+
+        // evaluate best path tangent
+
+        if (vnext > veng && veng > vprev) {
+          tangent[i][0] = delspxn;
+          tangent[i][1] = delspyn;
+          tangent[i][2] = delspzn;
+        } else if (vnext < veng && veng < vprev) {
+          tangent[i][0] = delspxp;
+          tangent[i][1] = delspyp;
+          tangent[i][2] = delspzp;
+        } else {
+          if (vnext > vprev) {
+            tangent[i][0] = vmax*delspxn + vmin*delspxp;
+            tangent[i][1] = vmax*delspyn + vmin*delspyp;
+            tangent[i][2] = vmax*delspzn + vmin*delspzp;
+          } else if (vnext < vprev) {
+            tangent[i][0] = vmin*delspxn + vmax*delspxp;
+            tangent[i][1] = vmin*delspyn + vmax*delspyp;
+            tangent[i][2] = vmin*delspzn + vmax*delspzp;
+          } else { // vnext == vprev, e.g. for potentials that do not compute an energy
+            tangent[i][0] = delspxn + delspxp;
+            tangent[i][1] = delspyn + delspyp;
+            tangent[i][2] = delspzn + delspzp;
+          }
+        }
+
+        // project tangent vector on tangent space
+
+        double sdottan;
+        sdottan = sp[i][0]*tangent[i][0] + sp[i][1]*tangent[i][1] +
+          sp[i][2]*tangent[i][2];
+        tangent[i][0] -= sdottan*sp[i][0];
+        tangent[i][1] -= sdottan*sp[i][1];
+        tangent[i][2] -= sdottan*sp[i][2];
+
+        // calc. next geodesic length
+
+        spi[0]=sp[i][0];
+        spi[1]=sp[i][1];
+        spi[2]=sp[i][2];
+        spj[0]=spnext[i][0];
+        spj[1]=spnext[i][1];
+        spj[2]=spnext[i][2];
+        templen = geodesic_distance(spi, spj);
+        nlen += templen*templen;
+
+        tlen += tangent[i][0]*tangent[i][0] + tangent[i][1]*tangent[i][1] +
+          tangent[i][2]*tangent[i][2];
+        gradlen += fm[i][0]*fm[i][0] + fm[i][1]*fm[i][1] + fm[i][2]*fm[i][2];
+        dotpath += delspxp*delspxn + delspyp*delspyn + delspzp*delspzn;
+        dottangrad += tangent[i][0]*fm[i][0] + tangent[i][1]*fm[i][1] +
+          tangent[i][2]*fm[i][2];
+        gradnextlen += fnext[i][0]*fnext[i][0] + fnext[i][1]*fnext[i][1] +
+          fnext[i][2]*fnext[i][2];
+        dotgrad += fm[i][0]*fnext[i][0] + fm[i][1]*fnext[i][1] +
+          fm[i][2]*fnext[i][2];
+
+        // no Perpendicular nudging force option active yet
+
+        if (kspringPerp != 0.0)
+          error->all(FLERR,"NEBSpin Perpendicular spring force not yet active");
+
+      }
+  }
+
+  // MPI reduce if more than one proc for world
+
+  double bufin[BUFSIZE], bufout[BUFSIZE];
+  bufin[0] = nlen;
+  bufin[1] = plen;
+  bufin[2] = tlen;
+  bufin[3] = gradlen;
+  bufin[4] = gradnextlen;
+  bufin[5] = dotpath;
+  bufin[6] = dottangrad;
+  bufin[7] = dotgrad;
+  MPI_Allreduce(bufin,bufout,BUFSIZE,MPI_DOUBLE,MPI_SUM,world);
+  nlen = sqrt(bufout[0]);
+  plen = sqrt(bufout[1]);
+  tlen = sqrt(bufout[2]);
+  gradlen = sqrt(bufout[3]);
+  gradnextlen = sqrt(bufout[4]);
+  dotpath = bufout[5];
+  dottangrad = bufout[6];
+  dotgrad = bufout[7];
+
+  // check projection of tangent vector on tangent space
+  // and normalize it
+
+  double buftan[3];
+  double tandots;
+  for (int i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      tandots = tangent[i][0]*sp[i][0]+tangent[i][1]*sp[i][1]+
+        tangent[i][2]*sp[i][2];
+      buftan[0] = tangent[i][0]-tandots*sp[i][0];
+      buftan[1] = tangent[i][1]-tandots*sp[i][1];
+      buftan[2] = tangent[i][2]-tandots*sp[i][2];
+      tangent[i][0] = buftan[0];
+      tangent[i][1] = buftan[1];
+      tangent[i][2] = buftan[2];
+
+      if (tlen > 0.0) {
+        double tleninv = 1.0/tlen;
+        tangent[i][0] *= tleninv;
+        tangent[i][1] *= tleninv;
+        tangent[i][2] *= tleninv;
+      }
+    }
+
+  // first or last replica has no change to forces, just return
+
+  if (ireplica > 0 && ireplica < nreplica-1)
+    dottangrad = dottangrad/(tlen*gradlen);
+  if (ireplica == 0)
+    dottangrad = dottangrad/(nlen*gradlen);
+  if (ireplica == nreplica-1)
+    dottangrad = dottangrad/(plen*gradlen);
+  if (ireplica < nreplica-1)
+    dotgrad = dotgrad /(gradlen*gradnextlen);
+
+  // no Free End options active yet
+
+  if (FreeEndIni && ireplica == 0)
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+  if (FreeEndFinal && ireplica == nreplica -1)
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+  if (FreeEndFinalWithRespToEIni&&ireplica == nreplica -1)
+    error->all(FLERR,"NEBSpin Free End option not yet active");
+
+  // no NEBSpin long range option
+
+  if (NEBLongRange)
+    error->all(FLERR,"NEBSpin long range option not yet active");
+
+  // exit calc. if first or last replica (no gneb force)
+
+  if (ireplica == 0 || ireplica == nreplica-1) return ;
+
+  dotpath = dotpath/(plen*nlen);
+
+  for (int i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      dot += fm[i][0]*tangent[i][0] + fm[i][1]*tangent[i][1] +
+        fm[i][2]*tangent[i][2];
+    }
+
+  // gather all dot for this replica
+
+  double dotall;
+  MPI_Allreduce(&dot,&dotall,1,MPI_DOUBLE,MPI_SUM,world);
+  dot=dotall;
+
+  // for intermediate replica
+  // calc. GNEB force prefactor
+
+  if (ireplica == rclimber) prefactor = -2.0*dot;        // for climbing replica
+  else {
+    if (NEBLongRange) {
+      error->all(FLERR,"Long Range NEBSpin climber option not yet active");
+    } else if (StandardNEB) {
+      prefactor = -dot + kspring*(nlen-plen);
+    }
+
+    if (FinalAndInterWithRespToEIni && veng<vIni) {
+      for (int i = 0; i < nlocal; i++)
+       if (mask[i] & groupbit) {
+          fm[i][0] = 0;
+          fm[i][1] = 0;
+          fm[i][2] = 0;
+        }
+      prefactor =  kspring*(nlen-plen);
+    }
+  }
+
+  for (int i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      fm[i][0] += prefactor*tangent[i][0];
+      fm[i][1] += prefactor*tangent[i][1];
+      fm[i][2] += prefactor*tangent[i][2];
+    }
+
+  // project GNEB force on tangent space
+
+  double fdots;
+  for (int i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      fdots = fm[i][0]*sp[i][0] + fm[i][1]*sp[i][1] +
+        fm[i][2]*sp[i][2];
+      fm[i][0] -= fdots*sp[i][0];
+      fm[i][1] -= fdots*sp[i][1];
+      fm[i][2] -= fdots*sp[i][2];
+    }
+
+}
+
+/* ----------------------------------------------------------------------
+   geodesic distance calculation (Vincenty's formula)
+------------------------------------------------------------------------- */
+
+double FixNEBSpin::geodesic_distance(double spi[3], double spj[3])
+{
+  double dist;
+  double crossx,crossy,crossz;
+  double dotx,doty,dotz;
+  double normcross,dots;
+
+  crossx = spi[1]*spj[2]-spi[2]*spj[1];
+  crossy = spi[2]*spj[0]-spi[0]*spj[2];
+  crossz = spi[0]*spj[1]-spi[1]*spj[0];
+  normcross = sqrt(crossx*crossx + crossy*crossy + crossz*crossz);
+
+  dotx = spi[0]*spj[0];
+  doty = spi[1]*spj[1];
+  dotz = spi[2]*spj[2];
+  dots = dotx+doty+dotz;
+
+  if (normcross == 0.0 && dots == 0.0)
+    error->all(FLERR,"Incorrect calc. of geodesic_distance in Fix NEB/spin");
+
+  dist = atan2(normcross,dots);
+
+  return dist;
+}
+
+/* ----------------------------------------------------------------------
+   send/recv NEB atoms to/from adjacent replicas
+   received atoms matching my local atoms are stored in xprev,xnext
+   replicas 0 and N-1 send but do not receive any atoms
+------------------------------------------------------------------------- */
+
+void FixNEBSpin::inter_replica_comm()
+{
+  int i,m;
+  MPI_Request request;
+  MPI_Request requests[2];
+  MPI_Status statuses[2];
+
+  // reallocate memory if necessary
+
+  if (atom->nmax > maxlocal) reallocate();
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double **sp = atom->sp;
+  double **fm = atom->fm;
+  tagint *tag = atom->tag;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  // -----------------------------------------------------
+  // 3 cases: two for single proc per replica
+  //          one for multiple procs per replica
+  // -----------------------------------------------------
+
+
+  // case 1 => to be done
+
+  // single proc per replica
+  // all atoms are NEB atoms and no atom sorting
+  // direct comm of x -> xprev and x -> xnext
+
+  if (cmode == SINGLE_PROC_DIRECT) {
+    if (ireplica > 0) {
+      MPI_Irecv(xprev[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld,&request);
+      MPI_Irecv(spprev[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld,&request);
+    }
+    if (ireplica < nreplica-1) {
+      MPI_Send(x[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld);
+      MPI_Send(sp[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld);
+    }
+    if (ireplica > 0) MPI_Wait(&request,MPI_STATUS_IGNORE);
+    if (ireplica < nreplica-1) {
+      MPI_Irecv(xnext[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld,&request);
+      MPI_Irecv(spnext[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld,&request);
+    }
+    if (ireplica > 0) {
+      MPI_Send(x[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(sp[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld);
+    }
+    if (ireplica < nreplica-1) MPI_Wait(&request,MPI_STATUS_IGNORE);
+
+    if (ireplica < nreplica-1) {
+      MPI_Irecv(fnext[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld,&request);
+      MPI_Irecv(fmnext[0],3*nlocal,MPI_DOUBLE,procnext,0,uworld,&request);
+    }
+    if (ireplica > 0) {
+      MPI_Send(f[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(fm[0],3*nlocal,MPI_DOUBLE,procprev,0,uworld);
+    }
+    if (ireplica < nreplica-1) MPI_Wait(&request,MPI_STATUS_IGNORE);
+
+    return;
+  }
+
+  // single proc per replica
+  // but only some atoms are NEB atoms or atom sorting is enabled
+  // send atom IDs and coords of only NEB atoms to prev/next proc
+  // recv procs use atom->map() to match received coords to owned atoms
+
+  if (cmode == SINGLE_PROC_MAP) {
+    m = 0;
+    for (i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        tagsend[m] = tag[i];
+        xsend[m][0] = x[i][0];
+        xsend[m][1] = x[i][1];
+        xsend[m][2] = x[i][2];
+        fsend[m][0] = f[i][0];
+        fsend[m][1] = f[i][1];
+        fsend[m][2] = f[i][2];
+        spsend[m][0] = sp[i][0];
+        spsend[m][1] = sp[i][1];
+        spsend[m][2] = sp[i][2];
+        fmsend[m][0] = fm[i][0];
+        fmsend[m][1] = fm[i][1];
+        fmsend[m][2] = fm[i][2];
+        m++;
+      }
+
+    if (ireplica > 0) {
+      MPI_Irecv(xrecv[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld,&requests[0]);
+      MPI_Irecv(sprecv[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld,&requests[0]);
+      MPI_Irecv(tagrecv,nebatoms,MPI_LMP_TAGINT,procprev,0,uworld,&requests[1]);
+    }
+    if (ireplica < nreplica-1) {
+      MPI_Send(xsend[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld);
+      MPI_Send(spsend[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld);
+      MPI_Send(tagsend,nebatoms,MPI_LMP_TAGINT,procnext,0,uworld);
+    }
+
+    if (ireplica > 0) {
+      MPI_Waitall(2,requests,statuses);
+      for (i = 0; i < nebatoms; i++) {
+        m = atom->map(tagrecv[i]);
+        xprev[m][0] = xrecv[i][0];
+        xprev[m][1] = xrecv[i][1];
+        xprev[m][2] = xrecv[i][2];
+        spprev[m][0] = sprecv[i][0];
+        spprev[m][1] = sprecv[i][1];
+        spprev[m][2] = sprecv[i][2];
+      }
+    }
+    if (ireplica < nreplica-1) {
+      MPI_Irecv(xrecv[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+      MPI_Irecv(frecv[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+      MPI_Irecv(sprecv[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+      MPI_Irecv(fmrecv[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+      MPI_Irecv(tagrecv,nebatoms,MPI_LMP_TAGINT,procnext,0,uworld,&requests[1]);
+    }
+    if (ireplica > 0) {
+      MPI_Send(xsend[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(fsend[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(spsend[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(fmsend[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+      MPI_Send(tagsend,nebatoms,MPI_LMP_TAGINT,procprev,0,uworld);
+    }
+
+    if (ireplica < nreplica-1) {
+      MPI_Waitall(2,requests,statuses);
+      for (i = 0; i < nebatoms; i++) {
+        m = atom->map(tagrecv[i]);
+        xnext[m][0] = xrecv[i][0];
+        xnext[m][1] = xrecv[i][1];
+        xnext[m][2] = xrecv[i][2];
+        fnext[m][0] = frecv[i][0];
+        fnext[m][1] = frecv[i][1];
+        fnext[m][2] = frecv[i][2];
+        spnext[m][0] = sprecv[i][0];
+        spnext[m][1] = sprecv[i][1];
+        spnext[m][2] = sprecv[i][2];
+        fmnext[m][0] = fmrecv[i][0];
+        fmnext[m][1] = fmrecv[i][1];
+        fmnext[m][2] = fmrecv[i][2];
+      }
+    }
+
+    return;
+  }
+
+  // multiple procs per replica
+  // MPI_Gather all coords and atom IDs to root proc of each replica
+  // send to root of adjacent replicas
+  // bcast within each replica
+  // each proc extracts info for atoms it owns via atom->map()
+
+  m = 0;
+  for (i = 0; i < nlocal; i++)
+    if (mask[i] & groupbit) {
+      tagsend[m] = tag[i];
+      xsend[m][0] = x[i][0];
+      xsend[m][1] = x[i][1];
+      xsend[m][2] = x[i][2];
+      fsend[m][0] = f[i][0];
+      fsend[m][1] = f[i][1];
+      fsend[m][2] = f[i][2];
+      spsend[m][0] = sp[i][0];
+      spsend[m][1] = sp[i][1];
+      spsend[m][2] = sp[i][2];
+      fmsend[m][0] = fm[i][0];
+      fmsend[m][1] = fm[i][1];
+      fmsend[m][2] = fm[i][2];
+      m++;
+    }
+
+  MPI_Gather(&m,1,MPI_INT,counts,1,MPI_INT,0,world);
+  displacements[0] = 0;
+  for (i = 0; i < nprocs-1; i++)
+    displacements[i+1] = displacements[i] + counts[i];
+  MPI_Gatherv(tagsend,m,MPI_LMP_TAGINT,
+              tagsendall,counts,displacements,MPI_LMP_TAGINT,0,world);
+  for (i = 0; i < nprocs; i++) counts[i] *= 3;
+  for (i = 0; i < nprocs-1; i++)
+    displacements[i+1] = displacements[i] + counts[i];
+  if (xsend) {
+    MPI_Gatherv(xsend[0],3*m,MPI_DOUBLE,
+                xsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+    MPI_Gatherv(fsend[0],3*m,MPI_DOUBLE,
+                fsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+  } else {
+    MPI_Gatherv(NULL,3*m,MPI_DOUBLE,
+                xsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+    MPI_Gatherv(NULL,3*m,MPI_DOUBLE,
+                fsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+  }
+  if (spsend) {
+    MPI_Gatherv(spsend[0],3*m,MPI_DOUBLE,
+                spsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+    MPI_Gatherv(fmsend[0],3*m,MPI_DOUBLE,
+                fmsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+  } else {
+    MPI_Gatherv(NULL,3*m,MPI_DOUBLE,
+                spsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+    MPI_Gatherv(NULL,3*m,MPI_DOUBLE,
+                fmsendall[0],counts,displacements,MPI_DOUBLE,0,world);
+  }
+
+  if (ireplica > 0 && me == 0) {
+    MPI_Irecv(xrecvall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld,&requests[0]);
+    MPI_Irecv(sprecvall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld,&requests[0]);
+    MPI_Irecv(tagrecvall,nebatoms,MPI_LMP_TAGINT,procprev,0,uworld,
+              &requests[1]);
+  }
+  if (ireplica < nreplica-1 && me == 0) {
+    MPI_Send(xsendall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld);
+    MPI_Send(spsendall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld);
+    MPI_Send(tagsendall,nebatoms,MPI_LMP_TAGINT,procnext,0,uworld);
+  }
+
+  if (ireplica > 0) {
+    if (me == 0) MPI_Waitall(2,requests,statuses);
+
+    MPI_Bcast(tagrecvall,nebatoms,MPI_INT,0,world);
+    MPI_Bcast(xrecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+    MPI_Bcast(sprecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+
+    for (i = 0; i < nebatoms; i++) {
+      m = atom->map(tagrecvall[i]);
+      if (m < 0 || m >= nlocal) continue;
+      xprev[m][0] = xrecvall[i][0];
+      xprev[m][1] = xrecvall[i][1];
+      xprev[m][2] = xrecvall[i][2];
+      spprev[m][0] = sprecvall[i][0];
+      spprev[m][1] = sprecvall[i][1];
+      spprev[m][2] = sprecvall[i][2];
+    }
+  }
+
+  if (ireplica < nreplica-1 && me == 0) {
+    MPI_Irecv(xrecvall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+    MPI_Irecv(frecvall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+    MPI_Irecv(sprecvall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+    MPI_Irecv(sprecvall[0],3*nebatoms,MPI_DOUBLE,procnext,0,uworld,&requests[0]);
+    MPI_Irecv(tagrecvall,nebatoms,MPI_LMP_TAGINT,procnext,0,uworld,
+              &requests[1]);
+  }
+  if (ireplica > 0 && me == 0) {
+    MPI_Send(xsendall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+    MPI_Send(fsendall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+    MPI_Send(spsendall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+    MPI_Send(fmsendall[0],3*nebatoms,MPI_DOUBLE,procprev,0,uworld);
+    MPI_Send(tagsendall,nebatoms,MPI_LMP_TAGINT,procprev,0,uworld);
+  }
+
+  if (ireplica < nreplica-1) {
+    if (me == 0) MPI_Waitall(2,requests,statuses);
+
+    MPI_Bcast(tagrecvall,nebatoms,MPI_INT,0,world);
+    MPI_Bcast(xrecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+    MPI_Bcast(frecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+    MPI_Bcast(sprecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+    MPI_Bcast(fmrecvall[0],3*nebatoms,MPI_DOUBLE,0,world);
+
+    for (i = 0; i < nebatoms; i++) {
+      m = atom->map(tagrecvall[i]);
+      if (m < 0 || m >= nlocal) continue;
+      xnext[m][0] = xrecvall[i][0];
+      xnext[m][1] = xrecvall[i][1];
+      xnext[m][2] = xrecvall[i][2];
+      fnext[m][0] = frecvall[i][0];
+      fnext[m][1] = frecvall[i][1];
+      fnext[m][2] = frecvall[i][2];
+      spnext[m][0] = sprecvall[i][0];
+      spnext[m][1] = sprecvall[i][1];
+      spnext[m][2] = sprecvall[i][2];
+      fmnext[m][0] = fmrecvall[i][0];
+      fmnext[m][1] = fmrecvall[i][1];
+      fmnext[m][2] = fmrecvall[i][2];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   reallocate xprev,xnext,tangent arrays if necessary
+   reallocate communication arrays if necessary
+------------------------------------------------------------------------- */
+
+void FixNEBSpin::reallocate()
+{
+  maxlocal = atom->nmax;
+
+  memory->destroy(xprev);
+  memory->destroy(xnext);
+  memory->destroy(tangent);
+  memory->destroy(fnext);
+  memory->destroy(springF);
+  memory->destroy(spprev);
+  memory->destroy(spnext);
+  memory->destroy(fmnext);
+
+  memory->create(xprev,maxlocal,3,"neb:xprev");
+  memory->create(xnext,maxlocal,3,"neb:xnext");
+  memory->create(tangent,maxlocal,3,"neb:tangent");
+  memory->create(fnext,maxlocal,3,"neb:fnext");
+  memory->create(springF,maxlocal,3,"neb:springF");
+  memory->create(spprev,maxlocal,3,"neb:xprev");
+  memory->create(spnext,maxlocal,3,"neb:xnext");
+  memory->create(fmnext,maxlocal,3,"neb:fnext");
+
+  if (cmode != SINGLE_PROC_DIRECT) {
+    memory->destroy(xsend);
+    memory->destroy(fsend);
+    memory->destroy(xrecv);
+    memory->destroy(frecv);
+    memory->destroy(spsend);
+    memory->destroy(fmsend);
+    memory->destroy(sprecv);
+    memory->destroy(fmrecv);
+    memory->destroy(tagsend);
+    memory->destroy(tagrecv);
+    memory->create(xsend,maxlocal,3,"neb:xsend");
+    memory->create(fsend,maxlocal,3,"neb:fsend");
+    memory->create(xrecv,maxlocal,3,"neb:xrecv");
+    memory->create(frecv,maxlocal,3,"neb:frecv");
+    memory->create(spsend,maxlocal,3,"neb:xsend");
+    memory->create(fmsend,maxlocal,3,"neb:fsend");
+    memory->create(sprecv,maxlocal,3,"neb:xrecv");
+    memory->create(fmrecv,maxlocal,3,"neb:frecv");
+    memory->create(tagsend,maxlocal,"neb:tagsend");
+    memory->create(tagrecv,maxlocal,"neb:tagrecv");
+  }
+
+  if (NEBLongRange) {
+    memory->destroy(nlenall);
+    memory->create(nlenall,nreplica,"neb:nlenall");
+  }
+}
diff --git a/src/SPIN/fix_neb_spin.h b/src/SPIN/fix_neb_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..7ac83ddce7b9fb4674be3a33f9e6328f7cc8936d
--- /dev/null
+++ b/src/SPIN/fix_neb_spin.h
@@ -0,0 +1,112 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(neb/spin,FixNEBSpin)
+
+#else
+
+#ifndef LMP_FIX_NEB_SPIN_H
+#define LMP_FIX_NEB_SPIN_H
+
+#include "fix.h"
+
+namespace LAMMPS_NS {
+
+class FixNEBSpin : public Fix {
+ public:
+  double veng,plen,nlen,dotpath,dottangrad,gradlen,dotgrad;
+  int rclimber;
+
+  FixNEBSpin(class LAMMPS *, int, char **);
+  ~FixNEBSpin();
+  int setmask();
+  void init();
+  void min_setup(int);
+  void min_post_force(int);
+
+ private:
+  int me,nprocs,nprocs_universe;
+  double kspring,kspringIni,kspringFinal,kspringPerp,EIniIni,EFinalIni;
+  bool StandardNEB,NEBLongRange,PerpSpring,FreeEndIni,FreeEndFinal;
+  bool FreeEndFinalWithRespToEIni,FinalAndInterWithRespToEIni;
+  bool SpinLattice;
+  int ireplica,nreplica;
+  int procnext,procprev;
+  int cmode;
+  MPI_Comm uworld;
+  MPI_Comm rootworld;
+
+
+  char *id_pe;
+  class Compute *pe;
+
+  int nebatoms;
+  int ntotal;                  // total # of atoms, NEB or not
+  int maxlocal;                // size of xprev,xnext,tangent arrays
+  double *nlenall;
+  double **xprev,**xnext,**fnext;
+  double **spprev,**spnext,**fmnext;
+  double **springF;
+  double **tangent;
+  double **xsend,**xrecv;      	// coords to send/recv to/from other replica
+  double **fsend,**frecv;	// coords to send/recv to/from other replica
+  double **spsend,**sprecv;	// sp to send/recv to/from other replica
+  double **fmsend,**fmrecv;	// fm to send/recv to/from other replica
+  tagint *tagsend,*tagrecv;	// ditto for atom IDs
+
+  				// info gathered from all procs in my replica
+  double **xsendall,**xrecvall;		// coords to send/recv to/from other replica
+  double **fsendall,**frecvall;		// force to send/recv to/from other replica
+  double **spsendall,**sprecvall;	// sp to send/recv to/from other replica
+  double **fmsendall,**fmrecvall;	// fm to send/recv to/from other replica
+  tagint *tagsendall,*tagrecvall;	// ditto for atom IDs
+
+  int *counts,*displacements;		// used for MPI_Gather
+
+  double geodesic_distance(double *, double *);
+  void inter_replica_comm();
+  void reallocate();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Potential energy ID for fix neb does not exist
+
+Self-explanatory.
+
+E: Too many active GNEB atoms
+
+UNDOCUMENTED
+
+E: Too many atoms for GNEB
+
+UNDOCUMENTED
+
+U: Atom count changed in fix neb
+
+This is not allowed in a GNEB calculation.
+
+*/
diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp
index 7d96aca6d4f6e70dbbdd667736571cdfef4e66f9..595ddb0cc2de6cd6d3d151629a1807eb437c8ad6 100644
--- a/src/SPIN/fix_nve_spin.cpp
+++ b/src/SPIN/fix_nve_spin.cpp
@@ -31,9 +31,10 @@
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "fix_precession_spin.h"
 #include "fix_nve_spin.h"
+#include "fix_precession_spin.h"
 #include "fix_langevin_spin.h"
+#include "fix_setforce_spin.h"
 #include "force.h"
 #include "math_vector.h"
 #include "math_extra.h"
@@ -88,7 +89,6 @@ FixNVESpin::FixNVESpin(LAMMPS *lmp, int narg, char **arg) :
   npairs = 0;
   npairspin = 0;
 
-
   // checking if map array or hash is defined
 
   if (atom->map_style == 0)
@@ -129,9 +129,11 @@ FixNVESpin::FixNVESpin(LAMMPS *lmp, int narg, char **arg) :
   // initialize the magnetic interaction flags
 
   pair_spin_flag = 0;
+  long_spin_flag = 0;
   precession_spin_flag = 0;
   maglangevin_flag = 0;
   tdamp_flag = temp_flag = 0;
+  setforce_spin_flag = 0;
 
 }
 
@@ -183,7 +185,7 @@ void FixNVESpin::init()
     npairs = pair->instance_total;
     for (int i = 0; i<npairs; i++) {
       if (force->pair_match("spin",0,i)) {
-	npairspin ++;
+        npairspin ++;
       }
     }
   }
@@ -203,8 +205,8 @@ void FixNVESpin::init()
   } else if (npairspin > 1) {
     for (int i = 0; i<npairs; i++) {
       if (force->pair_match("spin",0,i)) {
-	spin_pairs[count] = (PairSpin *) force->pair_match("spin",0,i);
-	count++;
+        spin_pairs[count] = (PairSpin *) force->pair_match("spin",0,i);
+        count++;
       }
     }
   }
@@ -212,8 +214,16 @@ void FixNVESpin::init()
   if (count != npairspin)
     error->all(FLERR,"Incorrect number of spin pairs");
 
+  // set pair/spin and long/spin flags
+
   if (npairspin >= 1) pair_spin_flag = 1;
 
+  for (int i = 0; i<npairs; i++) {
+    if (force->pair_match("spin/long",0,i)) {
+      long_spin_flag = 1;
+    }
+  }
+
   // ptrs FixPrecessionSpin classes
 
   int iforce;
@@ -238,6 +248,15 @@ void FixNVESpin::init()
    if (locklangevinspin->temp_flag == 1) temp_flag = 1;
   }
 
+  // ptrs FixSetForceSpin classes
+
+  for (iforce = 0; iforce < modify->nfix; iforce++) {
+    if (strstr(modify->fix[iforce]->style,"setforce/spin")) {
+      setforce_spin_flag = 1;
+      locksetforcespin = (FixSetForceSpin *) modify->fix[iforce];
+    }
+  }
+  
   // setting the sector variables/lists
 
   nsectors = 0;
@@ -250,13 +269,10 @@ void FixNVESpin::init()
   // init. size of stacking lists (sectoring)
 
   nlocal_max = atom->nlocal;
-  stack_head = memory->grow(stack_head,nsectors,"NVE/spin:stack_head");
-  stack_foot = memory->grow(stack_foot,nsectors,"NVE/spin:stack_foot");
-  backward_stacks = memory->grow(backward_stacks,nlocal_max,"NVE/spin:backward_stacks");
-  forward_stacks = memory->grow(forward_stacks,nlocal_max,"NVE/spin:forward_stacks");
-  if (nlocal_max == 0)
-    error->all(FLERR,"Incorrect value of nlocal_max");
-
+  memory->grow(stack_head,nsectors,"NVE/spin:stack_head");
+  memory->grow(stack_foot,nsectors,"NVE/spin:stack_foot");
+  memory->grow(backward_stacks,nlocal_max,"NVE/spin:backward_stacks");
+  memory->grow(forward_stacks,nlocal_max,"NVE/spin:forward_stacks");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -264,8 +280,8 @@ void FixNVESpin::init()
 void FixNVESpin::initial_integrate(int /*vflag*/)
 {
   double dtfm;
-	
-  double **x = atom->x;	
+
+  double **x = atom->x;
   double **v = atom->v;
   double **f = atom->f;
   double *rmass = atom->rmass;
@@ -291,32 +307,32 @@ void FixNVESpin::initial_integrate(int /*vflag*/)
 
   // update half s for all atoms
 
-  if (sector_flag) {				// sectoring seq. update
-    for (int j = 0; j < nsectors; j++) {	// advance quarter s for nlocal
+  if (sector_flag) {                            // sectoring seq. update
+    for (int j = 0; j < nsectors; j++) {        // advance quarter s for nlocal
       comm->forward_comm();
       int i = stack_foot[j];
       while (i >= 0) {
         ComputeInteractionsSpin(i);
-    	AdvanceSingleSpin(i);
-	i = forward_stacks[i];
+        AdvanceSingleSpin(i);
+        i = forward_stacks[i];
       }
     }
-    for (int j = nsectors-1; j >= 0; j--) {	// advance quarter s for nlocal
+    for (int j = nsectors-1; j >= 0; j--) {     // advance quarter s for nlocal
       comm->forward_comm();
       int i = stack_head[j];
       while (i >= 0) {
         ComputeInteractionsSpin(i);
-    	AdvanceSingleSpin(i);
-	i = backward_stacks[i];
+        AdvanceSingleSpin(i);
+        i = backward_stacks[i];
       }
     }
-  } else if (sector_flag == 0) {		// serial seq. update
-    comm->forward_comm();			// comm. positions of ghost atoms
-    for (int i = 0; i < nlocal; i++){		// advance quarter s for nlocal
+  } else if (sector_flag == 0) {                // serial seq. update
+    comm->forward_comm();                       // comm. positions of ghost atoms
+    for (int i = 0; i < nlocal; i++){           // advance quarter s for nlocal
       ComputeInteractionsSpin(i);
       AdvanceSingleSpin(i);
     }
-    for (int i = nlocal-1; i >= 0; i--){	// advance quarter s for nlocal
+    for (int i = nlocal-1; i >= 0; i--){        // advance quarter s for nlocal
       ComputeInteractionsSpin(i);
       AdvanceSingleSpin(i);
     }
@@ -336,32 +352,32 @@ void FixNVESpin::initial_integrate(int /*vflag*/)
 
   // update half s for all particles
 
-  if (sector_flag) {				// sectoring seq. update
-    for (int j = 0; j < nsectors; j++) {	// advance quarter s for nlocal
+  if (sector_flag) {                            // sectoring seq. update
+    for (int j = 0; j < nsectors; j++) {        // advance quarter s for nlocal
       comm->forward_comm();
       int i = stack_foot[j];
       while (i >= 0) {
         ComputeInteractionsSpin(i);
-    	AdvanceSingleSpin(i);
-	i = forward_stacks[i];
+        AdvanceSingleSpin(i);
+        i = forward_stacks[i];
       }
     }
-    for (int j = nsectors-1; j >= 0; j--) {	// advance quarter s for nlocal
+    for (int j = nsectors-1; j >= 0; j--) {     // advance quarter s for nlocal
       comm->forward_comm();
       int i = stack_head[j];
       while (i >= 0) {
         ComputeInteractionsSpin(i);
-    	AdvanceSingleSpin(i);
-	i = backward_stacks[i];
+        AdvanceSingleSpin(i);
+        i = backward_stacks[i];
       }
     }
-  } else if (sector_flag == 0) {		// serial seq. update
-    comm->forward_comm();			// comm. positions of ghost atoms
-    for (int i = 0; i < nlocal; i++){		// advance quarter s for nlocal-1
+  } else if (sector_flag == 0) {                // serial seq. update
+    comm->forward_comm();                       // comm. positions of ghost atoms
+    for (int i = 0; i < nlocal; i++){           // advance quarter s for nlocal-1
       ComputeInteractionsSpin(i);
       AdvanceSingleSpin(i);
     }
-    for (int i = nlocal-1; i >= 0; i--){	// advance quarter s for nlocal-1
+    for (int i = nlocal-1; i >= 0; i--){        // advance quarter s for nlocal-1
       ComputeInteractionsSpin(i);
       AdvanceSingleSpin(i);
     }
@@ -384,13 +400,13 @@ void FixNVESpin::setup_pre_neighbor()
 
 void FixNVESpin::pre_neighbor()
 {
-  double **x = atom->x;	
+  double **x = atom->x;
   int nlocal = atom->nlocal;
 
-  if (nlocal_max < nlocal) {			// grow linked lists if necessary
+  if (nlocal_max < nlocal) {                    // grow linked lists if necessary
     nlocal_max = nlocal;
-    backward_stacks = memory->grow(backward_stacks,nlocal_max,"NVE/spin:backward_stacks");
-    forward_stacks = memory->grow(forward_stacks,nlocal_max,"NVE/spin:forward_stacks");
+    memory->grow(backward_stacks,nlocal_max,"NVE/spin:backward_stacks");
+    memory->grow(forward_stacks,nlocal_max,"NVE/spin:forward_stacks");
   }
 
   for (int j = 0; j < nsectors; j++) {
@@ -399,7 +415,7 @@ void FixNVESpin::pre_neighbor()
   }
 
   int nseci;
-  for (int j = 0; j < nsectors; j++) {		// stacking backward order
+  for (int j = 0; j < nsectors; j++) {          // stacking backward order
     for (int i = 0; i < nlocal; i++) {
       nseci = coords2sector(x[i]);
       if (j != nseci) continue;
@@ -407,7 +423,7 @@ void FixNVESpin::pre_neighbor()
       stack_head[j] = i;
     }
   }
-  for (int j = nsectors-1; j >= 0; j--) {	// stacking forward order
+  for (int j = nsectors-1; j >= 0; j--) {       // stacking forward order
     for (int i = nlocal-1; i >= 0; i--) {
       nseci = coords2sector(x[i]);
       if (j != nseci) continue;
@@ -453,15 +469,21 @@ void FixNVESpin::ComputeInteractionsSpin(int i)
 
   // update langevin damping and random force
 
-  if (maglangevin_flag) {		// mag. langevin
-    if (tdamp_flag) {			// transverse damping
+  if (maglangevin_flag) {               // mag. langevin
+    if (tdamp_flag) {                   // transverse damping
       locklangevinspin->add_tdamping(spi,fmi);
     }
-    if (temp_flag) { 			// spin temperature
+    if (temp_flag) {                    // spin temperature
       locklangevinspin->add_temperature(fmi);
     }
   }
 
+  // update setforce of magnetic interactions
+
+  if (setforce_spin_flag) {
+    locksetforcespin->single_setforce_spin(i,fmi);
+  }
+
   // replace the magnetic force fm[i] by its new value fmi
 
   fm[i][0] = fmi[0];
@@ -560,42 +582,42 @@ void FixNVESpin::AdvanceSingleSpin(int i)
   int *sametag = atom->sametag;
   double **sp = atom->sp;
   double **fm = atom->fm;
-  double msq,scale,fm2,energy,dts2;
+  double fm2,energy,dts2;
   double cp[3],g[3];
 
   cp[0] = cp[1] = cp[2] = 0.0;
   g[0] = g[1] = g[2] = 0.0;
   fm2 = (fm[i][0]*fm[i][0])+(fm[i][1]*fm[i][1])+(fm[i][2]*fm[i][2]);
   energy = (sp[i][0]*fm[i][0])+(sp[i][1]*fm[i][1])+(sp[i][2]*fm[i][2]);
-  dts2 = dts*dts;		
-
-  cp[0] = fm[i][1]*sp[i][2]-fm[i][2]*sp[i][1];
-  cp[1] = fm[i][2]*sp[i][0]-fm[i][0]*sp[i][2];
-  cp[2] = fm[i][0]*sp[i][1]-fm[i][1]*sp[i][0];
-
-  g[0] = sp[i][0]+cp[0]*dts;
-  g[1] = sp[i][1]+cp[1]*dts;
-  g[2] = sp[i][2]+cp[2]*dts;
-			
-  g[0] += (fm[i][0]*energy-0.5*sp[i][0]*fm2)*0.5*dts2;
-  g[1] += (fm[i][1]*energy-0.5*sp[i][1]*fm2)*0.5*dts2;
-  g[2] += (fm[i][2]*energy-0.5*sp[i][2]*fm2)*0.5*dts2;
-			
-  g[0] /= (1+0.25*fm2*dts2);
-  g[1] /= (1+0.25*fm2*dts2);
-  g[2] /= (1+0.25*fm2*dts2);
-			
+  dts2 = dts*dts;
+
+  cp[0] = fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1];
+  cp[1] = fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2];
+  cp[2] = fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0];
+
+  g[0] = sp[i][0] + cp[0]*dts;
+  g[1] = sp[i][1] + cp[1]*dts;
+  g[2] = sp[i][2] + cp[2]*dts;
+
+  g[0] += (fm[i][0]*energy - 0.5*sp[i][0]*fm2)*0.5*dts2;
+  g[1] += (fm[i][1]*energy - 0.5*sp[i][1]*fm2)*0.5*dts2;
+  g[2] += (fm[i][2]*energy - 0.5*sp[i][2]*fm2)*0.5*dts2;
+
+  g[0] /= (1.0 + 0.25*fm2*dts2);
+  g[1] /= (1.0 + 0.25*fm2*dts2);
+  g[2] /= (1.0 + 0.25*fm2*dts2);
+
   sp[i][0] = g[0];
   sp[i][1] = g[1];
-  sp[i][2] = g[2];			
+  sp[i][2] = g[2];
 
   // renormalization (check if necessary)
 
-  msq = g[0]*g[0] + g[1]*g[1] + g[2]*g[2];
-  scale = 1.0/sqrt(msq);
-  sp[i][0] *= scale;
-  sp[i][1] *= scale;
-  sp[i][2] *= scale;
+  //msq = g[0]*g[0] + g[1]*g[1] + g[2]*g[2];
+  //scale = 1.0/sqrt(msq);
+  //sp[i][0] *= scale;
+  //sp[i][1] *= scale;
+  //sp[i][2] *= scale;
 
   // comm. sp[i] to atoms with same tag (for serial algo)
 
@@ -616,9 +638,9 @@ void FixNVESpin::AdvanceSingleSpin(int i)
 /* ---------------------------------------------------------------------- */
 
 void FixNVESpin::final_integrate()
-{	
+{
   double dtfm;
-	
+
   double **v = atom->v;
   double **f = atom->f;
   double *rmass = atom->rmass;
diff --git a/src/SPIN/fix_nve_spin.h b/src/SPIN/fix_nve_spin.h
index afc1db14d698ba238655f793da953b9918f4cc23..4800575c064116f932be8c38b5fb162f56ddef9c 100644
--- a/src/SPIN/fix_nve_spin.h
+++ b/src/SPIN/fix_nve_spin.h
@@ -27,7 +27,7 @@ FixStyle(nve/spin,FixNVESpin)
 namespace LAMMPS_NS {
 
 class FixNVESpin : public Fix {
-friend class PairSpin;	
+friend class PairSpin;
  public:
   FixNVESpin(class LAMMPS *, int, char **);
   virtual ~FixNVESpin();
@@ -48,7 +48,6 @@ friend class PairSpin;
   int lattice_flag; 			// lattice_flag = 0 if spins only
   					// lattice_flag = 1 if spin-lattice calc.
 
-
  protected:
   int sector_flag;			// sector_flag = 0  if serial algorithm
   					// sector_flag = 1  if parallel algorithm
@@ -58,14 +57,17 @@ friend class PairSpin;
   int nlocal_max;			// max value of nlocal (for lists size)
 
   int pair_spin_flag;			// magnetic pair flags
-  int precession_spin_flag;			// magnetic precession flags
+  int long_spin_flag;			// magnetic long-range flag
+  int precession_spin_flag;		// magnetic precession flags
   int maglangevin_flag;			// magnetic langevin flags
   int tdamp_flag, temp_flag;
+  int setforce_spin_flag;
 
   // pointers to magnetic fixes
 
   class FixPrecessionSpin *lockprecessionspin;
   class FixLangevinSpin *locklangevinspin;
+  class FixSetForceSpin *locksetforcespin;
 
   // pointers to magnetic pair styles
 
diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp
index d3edb3ae8a4eaaa56faf63ef8f418858239c49e3..1ea134d36721a0b21b180a9ef9a1377224be540f 100644
--- a/src/SPIN/fix_precession_spin.cpp
+++ b/src/SPIN/fix_precession_spin.cpp
@@ -25,8 +25,8 @@
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-
 #include "atom.h"
+#include "error.h"
 #include "domain.h"
 #include "error.h"
 #include "fix_precession_spin.h"
@@ -35,6 +35,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "modify.h"
+#include "neigh_list.h"
 #include "respa.h"
 #include "update.h"
 #include "variable.h"
@@ -71,8 +72,12 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : Fix(lm
   Ka = 0.0;
   nax = nay = naz = 0.0;
   Kax = Kay = Kaz = 0.0;
+  k1c = k2c = 0.0;
+  nc1x = nc1y = nc1z = 0.0;
+  nc2x = nc2y = nc2z = 0.0;
+  nc3x = nc3y = nc3z = 0.0;
 
-  zeeman_flag = aniso_flag = 0;
+  zeeman_flag = aniso_flag = cubic_flag = 0;
 
   int iarg = 3;
   while (iarg < narg) {
@@ -92,14 +97,61 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : Fix(lm
       nay = force->numeric(FLERR,arg[iarg+3]);
       naz = force->numeric(FLERR,arg[iarg+4]);
       iarg += 5;
+    } else if (strcmp(arg[iarg],"cubic") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix precession/spin command");
+      cubic_flag = 1;
+      k1c = force->numeric(FLERR,arg[iarg+1]);
+      k2c = force->numeric(FLERR,arg[iarg+2]);
+      nc1x = force->numeric(FLERR,arg[iarg+3]);
+      nc1y = force->numeric(FLERR,arg[iarg+4]);
+      nc1z = force->numeric(FLERR,arg[iarg+5]);
+      nc2x = force->numeric(FLERR,arg[iarg+6]);
+      nc2y = force->numeric(FLERR,arg[iarg+7]);
+      nc2z = force->numeric(FLERR,arg[iarg+8]);
+      nc3x = force->numeric(FLERR,arg[iarg+9]);
+      nc3y = force->numeric(FLERR,arg[iarg+10]);
+      nc3z = force->numeric(FLERR,arg[iarg+11]);
+      iarg += 12;
     } else error->all(FLERR,"Illegal precession/spin command");
   }
 
+  // normalize vectors
+
+  double inorm;
+  if (zeeman_flag) {
+    inorm = 1.0/sqrt(nhx*nhx + nhy*nhy + nhz*nhz);
+    nhx *= inorm;
+    nhy *= inorm;
+    nhz *= inorm;
+  }
+
+  if (aniso_flag) {
+    inorm = 1.0/sqrt(nax*nax + nay*nay + naz*naz);
+    nax *= inorm;
+    nay *= inorm;
+    naz *= inorm;
+  }
+  
+  if (cubic_flag) {
+    inorm = 1.0/sqrt(nc1x*nc1x + nc1y*nc1y + nc1z*nc1z);
+    nc1x *= inorm;
+    nc1y *= inorm;
+    nc1z *= inorm;
+    inorm = 1.0/sqrt(nc2x*nc2x + nc2y*nc2y + nc2z*nc2z);
+    nc2x *= inorm;
+    nc2y *= inorm;
+    nc2z *= inorm;
+    inorm = 1.0/sqrt(nc3x*nc3x + nc3y*nc3y + nc3z*nc3z);
+    nc3x *= inorm;
+    nc3y *= inorm;
+    nc3z *= inorm;
+  }
+
   degree2rad = MY_PI/180.0;
   time_origin = update->ntimestep;
 
   eflag = 0;
-  emag = 0.0;
+  eprec = 0.0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -115,6 +167,7 @@ int FixPrecessionSpin::setmask()
 {
   int mask = 0;
   mask |= POST_FORCE;
+  mask |= MIN_POST_FORCE;
   mask |= THERMO_ENERGY;
   mask |= POST_FORCE_RESPA;
   return mask;
@@ -129,8 +182,12 @@ void FixPrecessionSpin::init()
   const double mub = 5.78901e-5;                // in eV/T
   const double gyro = mub/hbar;                 // in rad.THz/T
 
-  H_field *= gyro;                              // in rad.THz
-  Ka /= hbar;                                   // in rad.THz
+  // convert field quantities to rad.THz
+
+  H_field *= gyro;
+  Kah = Ka/hbar;
+  k1ch = k1c/hbar;
+  k2ch = k2c/hbar;
 
   if (strstr(update->integrate_style,"respa")) {
     ilevel_respa = ((Respa *) update->integrate)->nlevels-1;
@@ -169,68 +226,83 @@ void FixPrecessionSpin::setup(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
-void FixPrecessionSpin::post_force(int /*vflag*/)
+void FixPrecessionSpin::min_setup(int vflag)
 {
+  post_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixPrecessionSpin::post_force(int /* vflag */)
+{
+
   // update mag field with time (potential improvement)
 
   if (varflag != CONSTANT) {
     modify->clearstep_compute();
     modify->addstep_compute(update->ntimestep + 1);
-    set_magneticprecession();                   // update mag. field if time-dep.
+    set_magneticprecession();		// update mag. field if time-dep.
   }
 
-  double **sp = atom->sp;
+  int *mask = atom->mask;
   double **fm = atom->fm;
-  double spi[3], fmi[3];
+  double **sp = atom->sp;
   const int nlocal = atom->nlocal;
-
+  double spi[3], fmi[3], epreci;
+  
   eflag = 0;
-  emag = 0.0;
-
+  eprec = 0.0;
   for (int i = 0; i < nlocal; i++) {
-    spi[0] = sp[i][0];
-    spi[1] = sp[i][1];
-    spi[2] = sp[i][2];
-    fmi[0] = fmi[1] = fmi[2] = 0.0;
-
-    if (zeeman_flag) {          // compute Zeeman interaction
-      compute_zeeman(i,fmi);
-      emag -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
+    if (mask[i] & groupbit) {
+      epreci = 0.0;
+      spi[0] = sp[i][0];
+      spi[1] = sp[i][1];
+      spi[2] = sp[i][2];
+      fmi[0] = fmi[1] = fmi[2] = 0.0;
+
+      if (zeeman_flag) {          // compute Zeeman interaction
+        compute_zeeman(i,fmi);
+        epreci -= hbar*(spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
+      }
+
+      if (aniso_flag) {           // compute magnetic anisotropy
+        compute_anisotropy(spi,fmi);
+        epreci -= compute_anisotropy_energy(spi);
+      }
+
+      if (cubic_flag) {		// compute cubic anisotropy
+	compute_cubic(spi,fmi);
+	epreci -= compute_cubic_energy(spi);
+      }
+
+      eprec += epreci;
+      fm[i][0] += fmi[0];
+      fm[i][1] += fmi[1];
+      fm[i][2] += fmi[2];
     }
-
-    if (aniso_flag) {           // compute magnetic anisotropy
-      compute_anisotropy(spi,fmi);
-      emag -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-    }
-
-    fm[i][0] += fmi[0];
-    fm[i][1] += fmi[1];
-    fm[i][2] += fmi[2];
   }
-  emag *= hbar;
 }
 
 /* ---------------------------------------------------------------------- */
 
 void FixPrecessionSpin::compute_single_precession(int i, double spi[3], double fmi[3])
 {
-  if (zeeman_flag) {
-    compute_zeeman(i,fmi);
-  }
-  if (aniso_flag) {
-    compute_anisotropy(spi,fmi);
+  int *mask = atom->mask;
+  if (mask[i] & groupbit) {
+    if (zeeman_flag) compute_zeeman(i,fmi);
+    if (aniso_flag) compute_anisotropy(spi,fmi);
+    if (cubic_flag) compute_cubic(spi,fmi);
   }
 }
 
-
 /* ---------------------------------------------------------------------- */
 
 void FixPrecessionSpin::compute_zeeman(int i, double fmi[3])
 {
   double **sp = atom->sp;
-  fmi[0] -= sp[i][3]*hx;
-  fmi[1] -= sp[i][3]*hy;
-  fmi[2] -= sp[i][3]*hz;
+  fmi[0] += sp[i][3]*hx;
+  fmi[1] += sp[i][3]*hy;
+  fmi[2] += sp[i][3]*hz;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -245,6 +317,16 @@ void FixPrecessionSpin::compute_anisotropy(double spi[3], double fmi[3])
 
 /* ---------------------------------------------------------------------- */
 
+double FixPrecessionSpin::compute_anisotropy_energy(double spi[3])
+{
+  double energy = 0.0;
+  double scalar = nax*spi[0] + nay*spi[1] + naz*spi[2];
+  energy = Ka*scalar*scalar;
+  return energy; 
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixPrecessionSpin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 {
   if (ilevel == ilevel_respa) post_force(vflag);
@@ -255,17 +337,75 @@ void FixPrecessionSpin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 void FixPrecessionSpin::set_magneticprecession()
 {
   if (zeeman_flag) {
-          hx = H_field*nhx;
-          hy = H_field*nhy;
-          hz = H_field*nhz;
+    hx = H_field*nhx;
+    hy = H_field*nhy;
+    hz = H_field*nhz;
   }
   if (aniso_flag) {
-          Kax = 2.0*Ka*nax;
-          Kay = 2.0*Ka*nay;
-          Kaz = 2.0*Ka*naz;
+    Kax = 2.0*Kah*nax;
+    Kay = 2.0*Kah*nay;
+    Kaz = 2.0*Kah*naz;
   }
 }
 
+/* ----------------------------------------------------------------------
+   compute cubic aniso energy of spin i
+------------------------------------------------------------------------- */
+
+double FixPrecessionSpin::compute_cubic_energy(double spi[3])
+{
+  double energy = 0.0;
+  double skx,sky,skz;
+
+  skx = spi[0]*nc1x+spi[1]*nc1y+spi[2]*nc1z;
+  sky = spi[0]*nc2x+spi[1]*nc2y+spi[2]*nc2z;
+  skz = spi[0]*nc3x+spi[1]*nc3y+spi[2]*nc3z;
+
+  energy = k1c*(skx*skx*sky*sky + sky*sky*skz*skz + skx*skx*skz*skz);
+  energy += k2c*skx*skx*sky*sky*skz*skz;
+
+  return energy;
+}
+
+/* ----------------------------------------------------------------------
+   compute cubic anisotropy interaction for spin i
+------------------------------------------------------------------------- */
+
+void FixPrecessionSpin::compute_cubic(double spi[3], double fmi[3])
+{
+  double skx,sky,skz,skx2,sky2,skz2;
+  double four1,four2,four3,fourx,foury,fourz;
+  double six1,six2,six3,sixx,sixy,sixz;
+
+  skx = spi[0]*nc1x+spi[1]*nc1y+spi[2]*nc1z;
+  sky = spi[0]*nc2x+spi[1]*nc2y+spi[2]*nc2z;
+  skz = spi[0]*nc3x+spi[1]*nc3y+spi[2]*nc3z;
+
+  skx2 = skx*skx;
+  sky2 = sky*sky;
+  skz2 = skz*skz;
+
+  four1 = 2.0*skx*(sky2+skz2);
+  four2 = 2.0*sky*(skx2+skz2);
+  four3 = 2.0*skz*(skx2+sky2);
+
+  fourx = k1ch*(nc1x*four1 + nc2x*four2 + nc3x*four3);
+  foury = k1ch*(nc1y*four1 + nc2y*four2 + nc3y*four3);
+  fourz = k1ch*(nc1z*four1 + nc2z*four2 + nc3z*four3);
+
+  six1 = 2.0*skx*sky2*skz2;
+  six2 = 2.0*sky*skx2*skz2;
+  six3 = 2.0*skz*skx2*sky2;
+  
+  sixx = k2ch*(nc1x*six1 + nc2x*six2 + nc3x*six3);
+  sixy = k2ch*(nc1y*six1 + nc2y*six2 + nc3y*six3);
+  sixz = k2ch*(nc1z*six1 + nc2z*six2 + nc3z*six3);
+  
+  fmi[0] += fourx + sixx;
+  fmi[1] += foury + sixy;
+  fmi[2] += fourz + sixz;
+}
+
 /* ----------------------------------------------------------------------
    potential energy in magnetic field
 ------------------------------------------------------------------------- */
@@ -275,8 +415,15 @@ double FixPrecessionSpin::compute_scalar()
   // only sum across procs one time
 
   if (eflag == 0) {
-    MPI_Allreduce(&emag,&emag_all,1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(&eprec,&eprec_all,1,MPI_DOUBLE,MPI_SUM,world);
     eflag = 1;
   }
-  return emag_all;
+  return eprec_all;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixPrecessionSpin::min_post_force(int vflag)
+{
+  post_force(vflag);
 }
diff --git a/src/SPIN/fix_precession_spin.h b/src/SPIN/fix_precession_spin.h
index 53ae4ba1245f989741354e4949b35169911dc878..0037784a4858435f19d50fd36de7e86c5813ea3b 100644
--- a/src/SPIN/fix_precession_spin.h
+++ b/src/SPIN/fix_precession_spin.h
@@ -33,15 +33,26 @@ class FixPrecessionSpin : public Fix {
   int setmask();
   void init();
   void setup(int);
-  virtual void post_force(int);
-  virtual void post_force_respa(int, int, int);
+  void min_setup(int);
+  void post_force(int);
+  void post_force_respa(int, int, int);
+  void min_post_force(int);
   double compute_scalar();
 
-  int zeeman_flag, aniso_flag;
+  int zeeman_flag, aniso_flag, cubic_flag;
   void compute_single_precession(int, double *, double *);
   void compute_zeeman(int, double *);
+  
+  // uniaxial aniso calculations
+
   void compute_anisotropy(double *, double *);
+  double compute_anisotropy_energy(double *);
+
+  // cubic aniso calculations
 
+  void compute_cubic(double *, double *);
+  double compute_cubic_energy(double *);
+ 
  protected:
   int style; 			// style of the magnetic precession
 
@@ -50,7 +61,7 @@ class FixPrecessionSpin : public Fix {
   int ilevel_respa;
   int time_origin;
   int eflag;
-  double emag, emag_all;
+  double eprec, eprec_all;
 
   int varflag;
   int magfieldstyle;
@@ -65,10 +76,19 @@ class FixPrecessionSpin : public Fix {
 
   // magnetic anisotropy intensity and direction
 
-  double Ka;
+  double Ka;			// aniso const. in eV
+  double Kah;			// aniso const. in rad.THz
   double nax, nay, naz;
   double Kax, Kay, Kaz; 	// temp. force variables
 
+  // cubic anisotropy intensity
+
+  double k1c,k2c;		// cubic const. in eV
+  double k1ch,k2ch;		// cubic const. in rad.THz
+  double nc1x,nc1y,nc1z;
+  double nc2x,nc2y,nc2z;
+  double nc3x,nc3y,nc3z;
+
   void set_magneticprecession();
 
 };
diff --git a/src/SPIN/fix_setforce_spin.cpp b/src/SPIN/fix_setforce_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c2807418ecf0f314a67095426aa4e13a1191b49a
--- /dev/null
+++ b/src/SPIN/fix_setforce_spin.cpp
@@ -0,0 +1,222 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+                         Aidan Thompson (SNL)
+
+   Please cite the related publication:
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
+   and molecular dynamics. Journal of Computational Physics.
+------------------------------------------------------------------------- */
+
+#include <cstring>
+#include <cstdlib>
+#include "fix_setforce_spin.h"
+#include "atom.h"
+#include "update.h"
+#include "modify.h"
+#include "domain.h"
+#include "region.h"
+#include "respa.h"
+#include "input.h"
+#include "variable.h"
+#include "memory.h"
+#include "error.h"
+#include "force.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+enum{NONE,CONSTANT,EQUAL,ATOM};
+
+/* ---------------------------------------------------------------------- */
+
+FixSetForceSpin::FixSetForceSpin(LAMMPS *lmp, int narg, char **arg) :
+  FixSetForce(lmp, narg, arg) {}
+
+/* ---------------------------------------------------------------------- */
+
+void FixSetForceSpin::post_force(int /*vflag*/)
+{
+  double **x = atom->x;
+  double **fm = atom->fm;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  // update region if necessary
+
+  Region *region = NULL;
+  if (iregion >= 0) {
+    region = domain->regions[iregion];
+    region->prematch();
+  }
+
+  // reallocate sforce array if necessary
+
+  if (varflag == ATOM && atom->nmax > maxatom) {
+    maxatom = atom->nmax;
+    memory->destroy(sforce);
+    memory->create(sforce,maxatom,3,"setforce:sforce");
+  }
+
+  foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
+  force_flag = 0;
+
+  if (varflag == CONSTANT) {
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
+        foriginal[0] += fm[i][0];
+        foriginal[1] += fm[i][1];
+        foriginal[2] += fm[i][2];
+        if (xstyle) fm[i][0] = xvalue;
+        if (ystyle) fm[i][1] = yvalue;
+        if (zstyle) fm[i][2] = zvalue;
+      }
+
+  // variable force, wrap with clear/add
+
+  } else {
+
+    modify->clearstep_compute();
+
+    if (xstyle == EQUAL) xvalue = input->variable->compute_equal(xvar);
+    else if (xstyle == ATOM)
+      input->variable->compute_atom(xvar,igroup,&sforce[0][0],3,0);
+    if (ystyle == EQUAL) yvalue = input->variable->compute_equal(yvar);
+    else if (ystyle == ATOM)
+      input->variable->compute_atom(yvar,igroup,&sforce[0][1],3,0);
+    if (zstyle == EQUAL) zvalue = input->variable->compute_equal(zvar);
+    else if (zstyle == ATOM)
+      input->variable->compute_atom(zvar,igroup,&sforce[0][2],3,0);
+
+    modify->addstep_compute(update->ntimestep + 1);
+
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
+        foriginal[0] += fm[i][0];
+        foriginal[1] += fm[i][1];
+        foriginal[2] += fm[i][2];
+        if (xstyle == ATOM) fm[i][0] = sforce[i][0];
+        else if (xstyle) fm[i][0] = xvalue;
+        if (ystyle == ATOM) fm[i][1] = sforce[i][1];
+        else if (ystyle) fm[i][1] = yvalue;
+        if (zstyle == ATOM) fm[i][2] = sforce[i][2];
+        else if (zstyle) fm[i][2] = zvalue;
+      }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixSetForceSpin::single_setforce_spin(int i, double fmi[3])
+{
+  double **x = atom->x;
+  int *mask = atom->mask;
+
+  // update region if necessary
+
+  Region *region = NULL;
+  if (iregion >= 0) {
+    region = domain->regions[iregion];
+    region->prematch();
+  }
+
+  // reallocate sforce array if necessary
+
+  if (varflag == ATOM && atom->nmax > maxatom) {
+    maxatom = atom->nmax;
+    memory->destroy(sforce);
+    memory->create(sforce,maxatom,3,"setforce:sforce");
+  }
+
+  foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
+  force_flag = 0;
+ 
+  // constant force
+
+  if (varflag == CONSTANT) {
+    if (mask[i] & groupbit) {
+      if (region && !region->match(x[i][0],x[i][1],x[i][2])) return;
+      foriginal[0] += fmi[0];
+      foriginal[1] += fmi[1];
+      foriginal[2] += fmi[2];
+      if (xstyle) fmi[0] = xvalue;
+      if (ystyle) fmi[1] = yvalue;
+      if (zstyle) fmi[2] = zvalue;
+    }
+
+  // variable force, wrap with clear/add
+
+  } else {
+
+    modify->clearstep_compute();
+
+    if (xstyle == EQUAL) xvalue = input->variable->compute_equal(xvar);
+    else if (xstyle == ATOM)
+      input->variable->compute_atom(xvar,igroup,&sforce[0][0],3,0);
+    if (ystyle == EQUAL) yvalue = input->variable->compute_equal(yvar);
+    else if (ystyle == ATOM)
+      input->variable->compute_atom(yvar,igroup,&sforce[0][1],3,0);
+    if (zstyle == EQUAL) zvalue = input->variable->compute_equal(zvar);
+    else if (zstyle == ATOM)
+      input->variable->compute_atom(zvar,igroup,&sforce[0][2],3,0);
+
+    modify->addstep_compute(update->ntimestep + 1);
+
+    if (mask[i] & groupbit) {
+      if (region && !region->match(x[i][0],x[i][1],x[i][2])) return;
+      foriginal[0] += fmi[0];
+      foriginal[1] += fmi[1];
+      foriginal[2] += fmi[2];
+      if (xstyle == ATOM) fmi[0] = sforce[i][0];
+      else if (xstyle) fmi[0] = xvalue;
+      if (ystyle == ATOM) fmi[1] = sforce[i][1];
+      else if (ystyle) fmi[1] = yvalue;
+      if (zstyle == ATOM) fmi[2] = sforce[i][2];
+      else if (zstyle) fmi[2] = zvalue;
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixSetForceSpin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
+{
+  // set force to desired value on requested level, 0.0 on other levels
+
+  if (ilevel == ilevel_respa) post_force(vflag);
+  else {
+    Region *region = NULL;
+    if (iregion >= 0) {
+      region = domain->regions[iregion];
+      region->prematch();
+    }
+
+    double **x = atom->x;
+    double **fm = atom->fm;
+    int *mask = atom->mask;
+    int nlocal = atom->nlocal;
+
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
+        if (xstyle) fm[i][0] = 0.0;
+        if (ystyle) fm[i][1] = 0.0;
+        if (zstyle) fm[i][2] = 0.0;
+      }
+  }
+}
diff --git a/src/SPIN/fix_setforce_spin.h b/src/SPIN/fix_setforce_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..a836911d8578f3f533d80591e2cc39e34d2b60c3
--- /dev/null
+++ b/src/SPIN/fix_setforce_spin.h
@@ -0,0 +1,65 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(setforce/spin,FixSetForceSpin)
+
+#else
+
+#ifndef LMP_FIX_SET_FORCE_SPIN_H
+#define LMP_FIX_SET_FORCE_SPIN_H
+
+#include "fix_setforce.h"
+
+namespace LAMMPS_NS {
+
+class FixSetForceSpin : public FixSetForce {
+ public:
+  FixSetForceSpin(class LAMMPS *, int, char **);
+  virtual void post_force(int);
+  void post_force_respa(int, int, int);
+  void single_setforce_spin(int, double *); 
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Region ID for fix setforce does not exist
+
+Self-explanatory.
+
+E: Variable name for fix setforce does not exist
+
+Self-explanatory.
+
+E: Variable for fix setforce is invalid style
+
+Only equal-style variables can be used.
+
+E: Cannot use non-zero forces in an energy minimization
+
+Fix setforce cannot be used in this manner.  Use fix addforce
+instead.
+
+*/
diff --git a/src/SPIN/min_spin.cpp b/src/SPIN/min_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..2bddc110e76f5c4139fe748417b45cf62ea57fa6
--- /dev/null
+++ b/src/SPIN/min_spin.cpp
@@ -0,0 +1,333 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+
+   Please cite the related publication:
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <cmath>
+#include <cstdlib>
+#include <cstring>
+#include "min_spin.h"
+#include "universe.h"
+#include "atom.h"
+#include "force.h"
+#include "update.h"
+#include "output.h"
+#include "timer.h"
+#include "error.h"
+#include "modify.h"
+#include "math_special.h"
+#include "math_const.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+// EPS_ENERGY = minimum normalization for energy tolerance
+
+#define EPS_ENERGY 1.0e-8
+
+#define DELAYSTEP 5
+
+/* ---------------------------------------------------------------------- */
+
+MinSpin::MinSpin(LAMMPS *lmp) : Min(lmp) {}
+
+/* ---------------------------------------------------------------------- */
+
+void MinSpin::init()
+{
+  alpha_damp = 1.0;
+  discrete_factor = 10.0;
+
+  Min::init();
+
+  dts = dt = update->dt;
+  last_negative = update->ntimestep;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void MinSpin::setup_style()
+{
+  double **v = atom->v;
+  int nlocal = atom->nlocal;
+
+  // check if the atom/spin style is defined
+
+  if (!atom->sp_flag)
+    error->all(FLERR,"min/spin requires atom/spin style");
+
+  for (int i = 0; i < nlocal; i++)
+    v[i][0] = v[i][1] = v[i][2] = 0.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int MinSpin::modify_param(int narg, char **arg)
+{
+  if (strcmp(arg[0],"alpha_damp") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    alpha_damp = force->numeric(FLERR,arg[1]);
+    return 2;
+  }
+  if (strcmp(arg[0],"discrete_factor") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    discrete_factor = force->numeric(FLERR,arg[1]);
+    return 2;
+  }
+  return 0;
+}
+
+/* ----------------------------------------------------------------------
+   set current vector lengths and pointers
+   called after atoms have migrated
+------------------------------------------------------------------------- */
+
+void MinSpin::reset_vectors()
+{
+  // atomic dof
+
+  // size sp is 4N vector
+  nvec = 4 * atom->nlocal;
+  if (nvec) spvec = atom->sp[0];
+
+  nvec = 3 * atom->nlocal;
+  if (nvec) fmvec = atom->fm[0];
+
+  if (nvec) xvec = atom->x[0];
+  if (nvec) fvec = atom->f[0];
+}
+
+/* ----------------------------------------------------------------------
+   minimization via damped spin dynamics
+------------------------------------------------------------------------- */
+
+int MinSpin::iterate(int maxiter)
+{
+  bigint ntimestep;
+  double fmdotfm;
+  int flag,flagall;
+
+  for (int iter = 0; iter < maxiter; iter++) {
+
+    if (timer->check_timeout(niter))
+      return TIMEOUT;
+
+    ntimestep = ++update->ntimestep;
+    niter++;
+
+    // optimize timestep accross processes / replicas
+    // need a force calculation for timestep optimization
+
+    energy_force(0);
+    dts = evaluate_dt();
+
+    // apply damped precessional dynamics to the spins
+
+    advance_spins(dts);
+
+    eprevious = ecurrent;
+    ecurrent = energy_force(0);
+    neval++;
+
+    //// energy tolerance criterion
+    //// only check after DELAYSTEP elapsed since velocties reset to 0
+    //// sync across replicas if running multi-replica minimization
+
+    if (update->etol > 0.0 && ntimestep-last_negative > DELAYSTEP) {
+      if (update->multireplica == 0) {
+        if (fabs(ecurrent-eprevious) <
+            update->etol * 0.5*(fabs(ecurrent) + fabs(eprevious) + EPS_ENERGY))
+          return ETOL;
+      } else {
+        if (fabs(ecurrent-eprevious) <
+            update->etol * 0.5*(fabs(ecurrent) + fabs(eprevious) + EPS_ENERGY))
+          flag = 0;
+        else flag = 1;
+        MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,universe->uworld);
+        if (flagall == 0) return ETOL;
+      }
+    }
+
+    // magnetic torque tolerance criterion
+    // sync across replicas if running multi-replica minimization
+
+    if (update->ftol > 0.0) {
+      fmdotfm = fmnorm_sqr();
+      if (update->multireplica == 0) {
+        if (fmdotfm < update->ftol*update->ftol) return FTOL;
+      } else {
+        if (fmdotfm < update->ftol*update->ftol) flag = 0;
+        else flag = 1;
+        MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,universe->uworld);
+        if (flagall == 0) return FTOL;
+      }
+    }
+
+    // output for thermo, dump, restart files
+
+    if (output->next == ntimestep) {
+      timer->stamp();
+      output->write(ntimestep);
+      timer->stamp(Timer::OUTPUT);
+    }
+  }
+
+  return MAXITER;
+}
+
+/* ----------------------------------------------------------------------
+   evaluate max timestep
+---------------------------------------------------------------------- */
+
+double MinSpin::evaluate_dt()
+{
+  double dtmax;
+  double fmsq;
+  double fmaxsqone,fmaxsqloc,fmaxsqall;
+  int nlocal = atom->nlocal;
+  double **fm = atom->fm;
+
+  // finding max fm on this proc.
+
+  fmsq = fmaxsqone = fmaxsqloc = fmaxsqall = 0.0;
+  for (int i = 0; i < nlocal; i++) {
+    fmsq = fm[i][0]*fm[i][0]+fm[i][1]*fm[i][1]+fm[i][2]*fm[i][2];
+    fmaxsqone = MAX(fmaxsqone,fmsq);
+  }
+
+  // finding max fm on this replica
+
+  fmaxsqloc = fmaxsqone;
+  MPI_Allreduce(&fmaxsqone,&fmaxsqloc,1,MPI_DOUBLE,MPI_MAX,world);
+
+  // finding max fm over all replicas, if necessary
+  // this communicator would be invalid for multiprocess replicas
+
+  fmaxsqall = fmaxsqloc;
+  if (update->multireplica == 1) {
+    fmaxsqall = fmaxsqloc;
+    MPI_Allreduce(&fmaxsqloc,&fmaxsqall,1,MPI_DOUBLE,MPI_MAX,universe->uworld);
+  }
+
+  if (fmaxsqall == 0.0)
+    error->all(FLERR,"Incorrect fmaxsqall calculation");
+
+  // define max timestep by dividing by the
+  // inverse of max frequency by discrete_factor
+
+  dtmax = MY_2PI/(discrete_factor*sqrt(fmaxsqall));
+
+  return dtmax;
+}
+
+/* ----------------------------------------------------------------------
+   geometric damped advance of spins
+---------------------------------------------------------------------- */
+
+void MinSpin::advance_spins(double dts)
+{
+  int nlocal = atom->nlocal;
+  double **sp = atom->sp;
+  double **fm = atom->fm;
+  double tdampx,tdampy,tdampz;
+  double msq,scale,fm2,energy,dts2;
+  double cp[3],g[3];
+
+  dts2 = dts*dts;
+
+  // loop on all spins on proc.
+
+  for (int i = 0; i < nlocal; i++) {
+
+    // calc. damping torque
+
+    tdampx = -alpha_damp*(fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1]);
+    tdampy = -alpha_damp*(fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2]);
+    tdampz = -alpha_damp*(fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0]);
+
+    // apply advance algorithm (geometric, norm preserving)
+
+    fm2 = (tdampx*tdampx+tdampy*tdampy+tdampz*tdampz);
+    energy = (sp[i][0]*tdampx)+(sp[i][1]*tdampy)+(sp[i][2]*tdampz);
+
+    cp[0] = tdampy*sp[i][2]-tdampz*sp[i][1];
+    cp[1] = tdampz*sp[i][0]-tdampx*sp[i][2];
+    cp[2] = tdampx*sp[i][1]-tdampy*sp[i][0];
+
+    g[0] = sp[i][0]+cp[0]*dts;
+    g[1] = sp[i][1]+cp[1]*dts;
+    g[2] = sp[i][2]+cp[2]*dts;
+
+    g[0] += (tdampx*energy-0.5*sp[i][0]*fm2)*0.5*dts2;
+    g[1] += (tdampy*energy-0.5*sp[i][1]*fm2)*0.5*dts2;
+    g[2] += (tdampz*energy-0.5*sp[i][2]*fm2)*0.5*dts2;
+
+    g[0] /= (1+0.25*fm2*dts2);
+    g[1] /= (1+0.25*fm2*dts2);
+    g[2] /= (1+0.25*fm2*dts2);
+
+    sp[i][0] = g[0];
+    sp[i][1] = g[1];
+    sp[i][2] = g[2];
+
+    // renormalization (check if necessary)
+
+    msq = g[0]*g[0] + g[1]*g[1] + g[2]*g[2];
+    scale = 1.0/sqrt(msq);
+    sp[i][0] *= scale;
+    sp[i][1] *= scale;
+    sp[i][2] *= scale;
+
+    // no comm. to atoms with same tag
+    // because no need for simplecticity
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute and return ||mag. torque||_2^2
+------------------------------------------------------------------------- */
+
+double MinSpin::fmnorm_sqr()
+{
+  int nlocal = atom->nlocal;
+  double tx,ty,tz;
+  double **sp = atom->sp;
+  double **fm = atom->fm;
+
+  // calc. magnetic torques
+
+  double local_norm2_sqr = 0.0;
+  for (int i = 0; i < nlocal; i++) {
+    tx = (fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1]);
+    ty = (fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2]);
+    tz = (fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0]);
+
+    local_norm2_sqr += tx*tx + ty*ty + tz*tz;
+  }
+
+  // no extra atom calc. for spins
+
+  if (nextra_atom)
+    error->all(FLERR,"extra atom option not available yet");
+
+  double norm2_sqr = 0.0;
+  MPI_Allreduce(&local_norm2_sqr,&norm2_sqr,1,MPI_DOUBLE,MPI_SUM,world);
+
+  return norm2_sqr;
+}
+
diff --git a/src/SPIN/min_spin.h b/src/SPIN/min_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..fbc624a9ccf82b8030b6811af08406e54ff47fd1
--- /dev/null
+++ b/src/SPIN/min_spin.h
@@ -0,0 +1,59 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef MINIMIZE_CLASS
+
+MinimizeStyle(spin,MinSpin)
+
+#else
+
+#ifndef LMP_MIN_SPIN_H
+#define LMP_MIN_SPIN_H
+
+#include "min.h"
+
+namespace LAMMPS_NS {
+
+class MinSpin : public Min {
+ public:
+  MinSpin(class LAMMPS *);
+  ~MinSpin() {}
+  void init();
+  void setup_style();
+  int modify_param(int, char **);
+  void reset_vectors();
+  int iterate(int);
+  double evaluate_dt();
+  void advance_spins(double);
+  double fmnorm_sqr();
+
+ private:
+
+  // global and spin timesteps
+
+  double dt;
+  double dts;
+
+  double alpha_damp;            // damping for spin minimization
+  double discrete_factor;       // factor for spin timestep evaluation
+
+  double *spvec;               // variables for atomic dof, as 1d vector
+  double *fmvec;               // variables for atomic dof, as 1d vector
+
+  bigint last_negative;
+};
+
+}
+
+#endif
+#endif
diff --git a/src/SPIN/neb_spin.cpp b/src/SPIN/neb_spin.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..46a0541488acb9e9aaab9e0ad100c10135172d8b
--- /dev/null
+++ b/src/SPIN/neb_spin.cpp
@@ -0,0 +1,853 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+
+   Please cite the related publication:
+   Bessarab, P. F., Uzdin, V. M., & Jónsson, H. (2015).
+   Method for finding mechanism and activation energy of magnetic transitions,
+   applied to skyrmion and antivortex annihilation.
+   Computer Physics Communications, 196, 335-347.
+------------------------------------------------------------------------- */
+
+// lmptype.h must be first b/c this file uses MAXBIGINT and includes mpi.h
+// due to OpenMPI bug which sets INT64_MAX via its mpi.h
+// before lmptype.h can set flags to insure it is done correctly
+
+#include "lmptype.h"
+#include <mpi.h>
+#include <cmath>
+#include <cstdlib>
+#include <cstring>
+#include "neb_spin.h"
+#include "citeme.h"
+#include "compute.h"
+#include "force.h"
+#include "universe.h"
+#include "atom.h"
+#include "update.h"
+#include "domain.h"
+#include "comm.h"
+#include "min.h"
+#include "modify.h"
+#include "fix.h"
+#include "fix_neb_spin.h"
+#include "output.h"
+#include "thermo.h"
+#include "finish.h"
+#include "timer.h"
+#include "memory.h"
+#include "error.h"
+#include "math_const.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+static const char cite_neb_spin[] =
+  "neb/spin command:\n\n"
+  "@article{bessarab2015method,\n"
+  "title={Method for finding mechanism and activation energy of "
+  "magnetic transitions, applied to skyrmion and antivortex "
+  "annihilation},\n"
+  "author={Bessarab, P.F. and Uzdin, V.M. and J{\'o}nsson, H.},\n"
+  "journal={Computer Physics Communications},\n"
+  "volume={196},\n"
+  "pages={335--347},\n"
+  "year={2015},\n"
+  "publisher={Elsevier}\n"
+  "doi={10.1016/j.cpc.2015.07.001}\n"
+  "}\n\n";
+
+#define MAXLINE 256
+#define CHUNK 1024
+// 8 attributes: tag, spin norm, position (3), spin direction (3)
+#define ATTRIBUTE_PERLINE 8
+
+/* ---------------------------------------------------------------------- */
+
+NEBSpin::NEBSpin(LAMMPS *lmp) : Pointers(lmp) {
+  if (lmp->citeme) lmp->citeme->add(cite_neb_spin);
+}
+
+/* ---------------------------------------------------------------------- */
+
+NEBSpin::~NEBSpin()
+{
+  MPI_Comm_free(&roots);
+  memory->destroy(all);
+  delete [] rdist;
+}
+
+/* ----------------------------------------------------------------------
+   perform NEBSpin on multiple replicas
+------------------------------------------------------------------------- */
+
+void NEBSpin::command(int narg, char **arg)
+{
+  if (domain->box_exist == 0)
+    error->all(FLERR,"NEBSpin command before simulation box is defined");
+
+  if (narg < 6) error->universe_all(FLERR,"Illegal NEBSpin command");
+
+  etol = force->numeric(FLERR,arg[0]);
+  ttol = force->numeric(FLERR,arg[1]);
+  n1steps = force->inumeric(FLERR,arg[2]);
+  n2steps = force->inumeric(FLERR,arg[3]);
+  nevery = force->inumeric(FLERR,arg[4]);
+
+  // error checks
+
+  if (etol < 0.0) error->all(FLERR,"Illegal NEBSpin command");
+  if (ttol < 0.0) error->all(FLERR,"Illegal NEBSpin command");
+  if (nevery <= 0) error->universe_all(FLERR,"Illegal NEBSpin command");
+  if (n1steps % nevery || n2steps % nevery)
+    error->universe_all(FLERR,"Illegal NEBSpin command");
+
+  // replica info
+
+  nreplica = universe->nworlds;
+  ireplica = universe->iworld;
+  me_universe = universe->me;
+  uworld = universe->uworld;
+  MPI_Comm_rank(world,&me);
+
+  // check metal units and spin atom/style
+
+  if (!atom->sp_flag)
+    error->all(FLERR,"neb/spin requires atom/spin style");
+  if (strcmp(update->unit_style,"metal") != 0)
+    error->all(FLERR,"neb/spin simulation requires metal unit style");
+
+  // error checks
+
+  if (nreplica == 1) error->all(FLERR,"Cannot use NEBSpin with a single replica");
+  if (atom->map_style == 0)
+    error->all(FLERR,"Cannot use NEBSpin unless atom map exists");
+
+  // process file-style setting to setup initial configs for all replicas
+
+  if (strcmp(arg[5],"final") == 0) {
+    if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEBSpin command");
+    inpfile = arg[6];
+    readfile(inpfile,0);
+  } else if (strcmp(arg[5],"each") == 0) {
+    if (narg != 7 && narg !=8) error->universe_all(FLERR,"Illegal NEBSpin command");
+    inpfile = arg[6];
+    readfile(inpfile,1);
+  } else if (strcmp(arg[5],"none") == 0) {
+    if (narg != 6 && narg !=7) error->universe_all(FLERR,"Illegal NEBSpin command");
+  } else error->universe_all(FLERR,"Illegal NEBSpin command");
+
+  verbose=false;
+  if (strcmp(arg[narg-1],"verbose") == 0) verbose=true;
+
+  run();
+}
+
+/* ----------------------------------------------------------------------
+   run NEBSpin on multiple replicas
+------------------------------------------------------------------------- */
+
+void NEBSpin::run()
+{
+  // create MPI communicator for root proc from each world
+
+  int color;
+  if (me == 0) color = 0;
+  else color = 1;
+  MPI_Comm_split(uworld,color,0,&roots);
+
+  // search for neb_spin fix, allocate it
+
+  int ineb;
+  for (ineb = 0; ineb < modify->nfix; ineb++)
+    if (strcmp(modify->fix[ineb]->style,"neb/spin") == 0) break;
+  if (ineb == modify->nfix) error->all(FLERR,"NEBSpin requires use of fix neb/spin");
+
+  fneb = (FixNEBSpin *) modify->fix[ineb];
+  if (verbose) numall =7;
+  else  numall = 4;
+  memory->create(all,nreplica,numall,"neb:all");
+  rdist = new double[nreplica];
+
+  // initialize LAMMPS
+
+  update->whichflag = 2;
+  update->etol = etol;
+  update->ftol = ttol;		// update->ftol is a torque tolerance
+  update->multireplica = 1;
+
+  lmp->init();
+
+  // check if correct minimizer is setup
+
+  if (update->minimize->searchflag)
+    error->all(FLERR,"NEBSpin requires damped dynamics minimizer");
+  if (strcmp(update->minimize_style,"spin") != 0)
+    error->all(FLERR,"NEBSpin requires spin minimizer");
+
+  // setup regular NEBSpin minimization
+
+  FILE *uscreen = universe->uscreen;
+  FILE *ulogfile = universe->ulogfile;
+
+  if (me_universe == 0 && uscreen)
+    fprintf(uscreen,"Setting up regular NEBSpin ...\n");
+
+  update->beginstep = update->firststep = update->ntimestep;
+  update->endstep = update->laststep = update->firststep + n1steps;
+  update->nsteps = n1steps;
+  update->max_eval = n1steps;
+  if (update->laststep < 0)
+    error->all(FLERR,"Too many timesteps for NEBSpin");
+
+  update->minimize->setup();
+
+  if (me_universe == 0) {
+    if (uscreen) {
+      if (verbose) {
+        fprintf(uscreen,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc EBF EBR RDT "
+                "RD1 PE1 RD2 PE2 ... RDN PEN "
+		"GradV0dottan DN0 ... GradVNdottan DNN\n");
+      } else {
+        fprintf(uscreen,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... "
+                "RDN PEN\n");
+      }
+    }
+
+    if (ulogfile) {
+      if (verbose) {
+	fprintf(ulogfile,"Step MaxReplicaTorque MaxAtomTorque "
+	    "GradV0 GradV1 GradVc EBF EBR RDT "
+	    "RD1 PE1 RD2 PE2 ... RDN PEN "
+	    "GradV0dottan DN0 ... GradVNdottan DNN\n");
+      } else {
+        fprintf(ulogfile,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... "
+                "RDN PEN\n");
+      }
+    }
+  }
+  print_status();
+
+  // perform regular NEBSpin for n1steps or until replicas converge
+  // retrieve PE values from fix NEBSpin and print every nevery iterations
+  // break out of while loop early if converged
+  // damped dynamic min styles insure all replicas converge together
+
+  timer->init();
+  timer->barrier_start();
+
+  while (update->minimize->niter < n1steps) {
+    update->minimize->run(nevery);
+    print_status();
+    if (update->minimize->stop_condition) break;
+  }
+
+  timer->barrier_stop();
+
+  update->minimize->cleanup();
+
+  Finish finish(lmp);
+  finish.end(1);
+
+  // switch fix NEBSpin to climbing mode
+  // top = replica that becomes hill climber
+
+  double vmax = all[0][0];
+  int top = 0;
+  for (int m = 1; m < nreplica; m++)
+    if (vmax < all[m][0]) {
+      vmax = all[m][0];
+      top = m;
+    }
+
+  // setup climbing NEBSpin minimization
+  // must reinitialize minimizer so it re-creates its fix MINIMIZE
+
+  if (me_universe == 0 && uscreen)
+    fprintf(uscreen,"Setting up climbing ...\n");
+
+  if (me_universe == 0) {
+    if (uscreen)
+      fprintf(uscreen,"Climbing replica = %d\n",top+1);
+    if (ulogfile)
+      fprintf(ulogfile,"Climbing replica = %d\n",top+1);
+  }
+
+  update->beginstep = update->firststep = update->ntimestep;
+  update->endstep = update->laststep = update->firststep + n2steps;
+  update->nsteps = n2steps;
+  update->max_eval = n2steps;
+  if (update->laststep < 0)
+    error->all(FLERR,"Too many timesteps");
+
+  update->minimize->init();
+  fneb->rclimber = top;
+  update->minimize->setup();
+
+  if (me_universe == 0) {
+    if (uscreen) {
+      if (verbose) {
+        fprintf(uscreen,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc EBF EBR RDT "
+                "RD1 PE1 RD2 PE2 ... RDN PEN "
+		"GradV0dottan DN0... GradVNdottan DNN\n");
+      } else {
+        fprintf(uscreen,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc "
+                "EBF EBR RDT "
+                "RD1 PE1 RD2 PE2 ... RDN PEN\n");
+      }
+    }
+    if (ulogfile) {
+      if (verbose) {
+	fprintf(ulogfile,"Step MaxReplicaTorque MaxAtomTorque "
+	    "GradV0 GradV1 GradVc EBF EBR RDT "
+	    "RD1 PE1 RD2 PE2 ... RDN PEN "
+	    "GradV0dottan DN0 ... GradVNdottan DNN\n");
+      } else {
+        fprintf(ulogfile,"Step MaxReplicaTorque MaxAtomTorque "
+                "GradV0 GradV1 GradVc "
+                "EBF EBR RDT "
+                "RD1 PE1 RD2 PE2 ... RDN PEN\n");
+      }
+    }
+  }
+  print_status();
+
+  // perform climbing NEBSpin for n2steps or until replicas converge
+  // retrieve PE values from fix NEBSpin and print every nevery iterations
+  // break induced if converged
+  // damped dynamic min styles insure all replicas converge together
+
+  timer->init();
+  timer->barrier_start();
+
+  while (update->minimize->niter < n2steps) {
+    update->minimize->run(nevery);
+    print_status();
+    if (update->minimize->stop_condition) break;
+  }
+
+  timer->barrier_stop();
+
+  update->minimize->cleanup();
+
+  finish.end(1);
+
+  update->whichflag = 0;
+  update->multireplica = 0;
+  update->firststep = update->laststep = 0;
+  update->beginstep = update->endstep = 0;
+}
+
+/* ----------------------------------------------------------------------
+   read initial config atom coords from file
+   flag = 0
+   only first replica opens file and reads it
+   first replica bcasts lines to all replicas
+   final replica stores coords
+   intermediate replicas interpolate from coords
+   new coord = replica fraction between current and final state
+   initial replica does nothing
+   flag = 1
+   each replica (except first) opens file and reads it
+   each replica stores coords
+   initial replica does nothing
+------------------------------------------------------------------------- */
+
+void NEBSpin::readfile(char *file, int flag)
+{
+  int i,j,m,nchunk,eofflag,nlines;
+  tagint tag;
+  char *eof,*start,*next,*buf;
+  char line[MAXLINE];
+  double xx,yy,zz;
+  double musp,spx,spy,spz;
+
+  if (me_universe == 0 && screen)
+    fprintf(screen,"Reading NEBSpin coordinate file(s) ...\n");
+
+  // flag = 0, universe root reads header of file, bcast to universe
+  // flag = 1, each replica's root reads header of file, bcast to world
+  //   but explicitly skip first replica
+
+  if (flag == 0) {
+    if (me_universe == 0) {
+      open(file);
+      while (1) {
+        eof = fgets(line,MAXLINE,fp);
+        if (eof == NULL) error->one(FLERR,"Unexpected end of neb/spin file");
+        start = &line[strspn(line," \t\n\v\f\r")];
+        if (*start != '\0' && *start != '#') break;
+      }
+      sscanf(line,"%d",&nlines);
+    }
+    MPI_Bcast(&nlines,1,MPI_INT,0,uworld);
+
+  } else {
+    if (me == 0) {
+      if (ireplica) {
+        open(file);
+        while (1) {
+          eof = fgets(line,MAXLINE,fp);
+          if (eof == NULL) error->one(FLERR,"Unexpected end of neb/spin file");
+          start = &line[strspn(line," \t\n\v\f\r")];
+          if (*start != '\0' && *start != '#') break;
+        }
+        sscanf(line,"%d",&nlines);
+      } else nlines = 0;
+    }
+    MPI_Bcast(&nlines,1,MPI_INT,0,world);
+  }
+
+  char *buffer = new char[CHUNK*MAXLINE];
+  char **values = new char*[ATTRIBUTE_PERLINE];
+
+  double fraction = ireplica/(nreplica-1.0);
+
+  double **x = atom->x;
+  double **sp = atom->sp;
+  double spinit[3],spfinal[3];
+  int nlocal = atom->nlocal;
+
+  // loop over chunks of lines read from file
+  // two versions of read_lines_from_file() for world vs universe bcast
+  // count # of atom coords changed so can check for invalid atom IDs in file
+
+  int ncount = 0;
+
+  int temp_flag,rot_flag;
+  temp_flag = rot_flag = 0;
+  int nread = 0;
+  while (nread < nlines) {
+    nchunk = MIN(nlines-nread,CHUNK);
+    if (flag == 0)
+      eofflag = comm->read_lines_from_file_universe(fp,nchunk,MAXLINE,buffer);
+    else
+      eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer);
+    if (eofflag) error->all(FLERR,"Unexpected end of neb/spin file");
+
+    buf = buffer;
+    next = strchr(buf,'\n');
+    *next = '\0';
+    int nwords = atom->count_words(buf);
+    *next = '\n';
+
+    if (nwords != ATTRIBUTE_PERLINE)
+      error->all(FLERR,"Incorrect atom format in neb/spin file");
+
+    // loop over lines of atom coords
+    // tokenize the line into values
+
+    for (i = 0; i < nchunk; i++) {
+      next = strchr(buf,'\n');
+
+      values[0] = strtok(buf," \t\n\r\f");
+      for (j = 1; j < nwords; j++)
+        values[j] = strtok(NULL," \t\n\r\f");
+
+      // adjust spin coord based on replica fraction
+      // for flag = 0, interpolate for intermediate and final replicas
+      // for flag = 1, replace existing coord with new coord
+      // ignore image flags of final x
+      // for interpolation:
+      //   new x is displacement from old x via minimum image convention
+      //   if final x is across periodic boundary:
+      //     new x may be outside box
+      //     will be remapped back into box when simulation starts
+      //     its image flags will then be adjusted
+
+      tag = ATOTAGINT(values[0]);
+      m = atom->map(tag);
+      if (m >= 0 && m < nlocal) {
+        ncount++;
+	musp = atof(values[1]);
+	xx = atof(values[2]);
+        yy = atof(values[3]);
+        zz = atof(values[4]);
+        spx = atof(values[5]);
+        spy = atof(values[6]);
+        spz = atof(values[7]);
+
+        if (flag == 0) {
+
+	  spinit[0] = sp[m][0];
+	  spinit[1] = sp[m][1];
+	  spinit[2] = sp[m][2];
+	  spfinal[0] = spx;
+	  spfinal[1] = spy;
+	  spfinal[2] = spz;
+
+	  // interpolate intermediate spin states
+
+	  sp[m][3] = musp;
+	  if (fraction == 0.0) {
+	    sp[m][0] = spinit[0];
+	    sp[m][1] = spinit[1];
+	    sp[m][2] = spinit[2];
+	  } else if (fraction == 1.0) {
+	    sp[m][0] = spfinal[0];
+	    sp[m][1] = spfinal[1];
+	    sp[m][2] = spfinal[2];
+	  } else {
+            temp_flag = initial_rotation(spinit,spfinal,fraction);
+            rot_flag = MAX(temp_flag,rot_flag);
+	    sp[m][0] = spfinal[0];
+	    sp[m][1] = spfinal[1];
+	    sp[m][2] = spfinal[2];
+	  }
+        } else {
+          sp[m][3] = musp;
+	  x[m][0] = xx;
+          x[m][1] = yy;
+          x[m][2] = zz;
+	  sp[m][0] = spx;
+	  sp[m][1] = spy;
+	  sp[m][2] = spz;
+        }
+      }
+
+      buf = next + 1;
+    }
+
+    nread += nchunk;
+  }
+
+  // warning message if one or more couples (spi,spf) were aligned
+  // this breaks Rodrigues' formula, and an arbitrary rotation
+  // vector has to be chosen
+
+  if ((rot_flag > 0) && (comm->me == 0))
+    error->warning(FLERR,"arbitrary initial rotation of one or more spin(s)");
+
+  // check that all atom IDs in file were found by a proc
+
+  if (flag == 0) {
+    int ntotal;
+    MPI_Allreduce(&ncount,&ntotal,1,MPI_INT,MPI_SUM,uworld);
+    if (ntotal != nreplica*nlines)
+      error->universe_all(FLERR,"Invalid atom IDs in neb/spin file");
+  } else {
+    int ntotal;
+    MPI_Allreduce(&ncount,&ntotal,1,MPI_INT,MPI_SUM,world);
+    if (ntotal != nlines)
+      error->all(FLERR,"Invalid atom IDs in neb/spin file");
+  }
+
+  // clean up
+
+  delete [] buffer;
+  delete [] values;
+
+  if (flag == 0) {
+    if (me_universe == 0) {
+      if (compressed) pclose(fp);
+      else fclose(fp);
+    }
+  } else {
+    if (me == 0 && ireplica) {
+      if (compressed) pclose(fp);
+      else fclose(fp);
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   initial configuration of intermediate spins using Rodrigues' formula
+   interpolates between initial (spi) and final (stored in sploc)
+------------------------------------------------------------------------- */
+
+int NEBSpin::initial_rotation(double *spi, double *sploc, double fraction)
+{
+
+  // no interpolation for initial and final replica
+
+  if (fraction == 0.0 || fraction == 1.0) return 0;
+
+  int rot_flag = 0;
+  double kx,ky,kz;
+  double spix,spiy,spiz,spfx,spfy,spfz;
+  double kcrossx,kcrossy,kcrossz,knormsq;
+  double kdots;
+  double spkx,spky,spkz;
+  double sidotsf,omega,iknorm,isnorm;
+
+  spix = spi[0];
+  spiy = spi[1];
+  spiz = spi[2];
+
+  spfx = sploc[0];
+  spfy = sploc[1];
+  spfz = sploc[2];
+
+  kx = spiy*spfz - spiz*spfy;
+  ky = spiz*spfx - spix*spfz;
+  kz = spix*spfy - spiy*spfx;
+
+  knormsq = kx*kx+ky*ky+kz*kz;
+  sidotsf = spix*spfx + spiy*spfy + spiz*spfz;
+
+  // if knormsq == 0.0, init and final spins are aligned
+  // Rodrigues' formula breaks, needs to define another axis k
+
+  if (knormsq == 0.0) {
+    if (sidotsf > 0.0) { 	// spins aligned and in same direction
+      return 0;
+    } else if (sidotsf < 0.0) {	// spins aligned and in opposite directions
+
+      // defining a rotation axis
+      // first guess, k = spi x [100]
+      // second guess, k = spi x [010]
+
+      if (spiy*spiy + spiz*spiz != 0.0) { // spin not along [100]
+	kx = 0.0;
+	ky = spiz;
+	kz = -spiy;
+	knormsq = ky*ky + kz*kz;
+      } else if (spix*spix + spiz*spiz != 0.0) { // spin not along [010]
+	kx = -spiz;
+	ky = 0.0;
+	kz = spix;
+	knormsq = kx*kx + kz*kz;
+      } else error->all(FLERR,"Incorrect initial rotation operation");
+      rot_flag = 1;
+    }
+  }
+
+  // knormsq should not be 0
+
+  if (knormsq == 0.0)
+    error->all(FLERR,"Incorrect initial rotation operation");
+
+  // normalize k vector
+
+  iknorm = 1.0/sqrt(knormsq);
+  kx *= iknorm;
+  ky *= iknorm;
+  kz *= iknorm;
+
+  // calc. k x spi and total rotation angle
+
+  kcrossx = ky*spiz - kz*spiy;
+  kcrossy = kz*spix - kx*spiz;
+  kcrossz = kx*spiy - ky*spix;
+
+  kdots = kx*spix + ky*spiz + kz*spiz;
+
+  omega = acos(sidotsf);
+  omega *= fraction;
+
+  // apply Rodrigues' formula
+
+  spkx = spix*cos(omega);
+  spky = spiy*cos(omega);
+  spkz = spiz*cos(omega);
+
+  spkx += kcrossx*sin(omega);
+  spky += kcrossy*sin(omega);
+  spkz += kcrossz*sin(omega);
+
+  spkx += kx*kdots*(1.0-cos(omega));
+  spky += ky*kdots*(1.0-cos(omega));
+  spkz += kz*kdots*(1.0-cos(omega));
+
+  // normalizing resulting spin vector
+
+  isnorm = 1.0/sqrt(spkx*spkx+spky*spky+spkz*spkz);
+  if (isnorm == 0.0)
+    error->all(FLERR,"Incorrect initial rotation operation");
+
+  spkx *= isnorm;
+  spky *= isnorm;
+  spkz *= isnorm;
+
+  // returns rotated spin
+
+  sploc[0] = spkx;
+  sploc[1] = spky;
+  sploc[2] = spkz;
+
+  return rot_flag;
+}
+
+/* ----------------------------------------------------------------------
+   universe proc 0 opens NEBSpin data file
+   test if gzipped
+------------------------------------------------------------------------- */
+
+void NEBSpin::open(char *file)
+{
+  compressed = 0;
+  char *suffix = file + strlen(file) - 3;
+  if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1;
+  if (!compressed) fp = fopen(file,"r");
+  else {
+#ifdef LAMMPS_GZIP
+    char gunzip[128];
+    snprintf(gunzip,128,"gzip -c -d %s",file);
+
+#ifdef _WIN32
+    fp = _popen(gunzip,"rb");
+#else
+    fp = popen(gunzip,"r");
+#endif
+
+#else
+    error->one(FLERR,"Cannot open gzipped file");
+#endif
+  }
+
+  if (fp == NULL) {
+    char str[128];
+    snprintf(str,128,"Cannot open file %s",file);
+    error->one(FLERR,str);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   query fix NEBSpin for info on each replica
+   universe proc 0 prints current NEBSpin status
+------------------------------------------------------------------------- */
+
+void NEBSpin::print_status()
+{
+  int nlocal = atom->nlocal;
+  double tx,ty,tz;
+  double tnorm2,local_norm_inf,temp_inf;
+  double **sp = atom->sp;
+  double **fm = atom->fm;
+
+  // calc. magnetic torques
+
+  tnorm2 = local_norm_inf = temp_inf = 0.0;
+  for (int i = 0; i < nlocal; i++) {
+    tx = (fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1]);
+    ty = (fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2]);
+    tz = (fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0]);
+    tnorm2 += tx*tx + ty*ty + tz*tz;
+    temp_inf = MAX(fabs(tx),fabs(ty));
+    temp_inf = MAX(fabs(tz),temp_inf);
+    local_norm_inf = MAX(temp_inf,local_norm_inf);
+  }
+
+  double fmaxreplica;
+  MPI_Allreduce(&tnorm2,&fmaxreplica,1,MPI_DOUBLE,MPI_MAX,roots);
+
+  double fnorminf = 0.0;
+  MPI_Allreduce(&local_norm_inf,&fnorminf,1,MPI_DOUBLE,MPI_MAX,world);
+  double fmaxatom;
+  MPI_Allreduce(&fnorminf,&fmaxatom,1,MPI_DOUBLE,MPI_MAX,roots);
+
+  if (verbose) {
+    freplica = new double[nreplica];
+    MPI_Allgather(&tnorm2,1,MPI_DOUBLE,&freplica[0],1,MPI_DOUBLE,roots);
+    fmaxatomInRepl = new double[nreplica];
+    MPI_Allgather(&fnorminf,1,MPI_DOUBLE,&fmaxatomInRepl[0],1,MPI_DOUBLE,roots);
+  }
+
+  double one[7];
+  one[0] = fneb->veng;
+  one[1] = fneb->plen;
+  one[2] = fneb->nlen;
+  one[3] = fneb->gradlen;
+
+  if (verbose) {
+    one[4] = fneb->dotpath;
+    one[5] = fneb->dottangrad;
+    one[6] = fneb->dotgrad;
+  }
+
+  if (output->thermo->normflag) one[0] /= atom->natoms;
+  if (me == 0)
+    MPI_Allgather(one,numall,MPI_DOUBLE,&all[0][0],numall,MPI_DOUBLE,roots);
+  MPI_Bcast(&all[0][0],numall*nreplica,MPI_DOUBLE,0,world);
+
+  rdist[0] = 0.0;
+  for (int i = 1; i < nreplica; i++)
+    rdist[i] = rdist[i-1] + all[i][1];
+  double endpt = rdist[nreplica-1] = rdist[nreplica-2] + all[nreplica-2][2];
+  for (int i = 1; i < nreplica; i++)
+    rdist[i] /= endpt;
+
+  // look up GradV for the initial, final, and climbing replicas
+  // these are identical to fnorm2, but to be safe we
+  // take them straight from fix_neb
+
+  double gradvnorm0, gradvnorm1, gradvnormc;
+
+  int irep;
+  irep = 0;
+  gradvnorm0 = all[irep][3];
+  irep = nreplica-1;
+  gradvnorm1 = all[irep][3];
+  irep = fneb->rclimber;
+  if (irep > -1) {
+    gradvnormc = all[irep][3];
+    ebf = all[irep][0]-all[0][0];
+    ebr = all[irep][0]-all[nreplica-1][0];
+  } else {
+    double vmax = all[0][0];
+    int top = 0;
+    for (int m = 1; m < nreplica; m++)
+      if (vmax < all[m][0]) {
+        vmax = all[m][0];
+        top = m;
+      }
+    irep = top;
+    gradvnormc = all[irep][3];
+    ebf = all[irep][0]-all[0][0];
+    ebr = all[irep][0]-all[nreplica-1][0];
+  }
+
+  if (me_universe == 0) {
+    FILE *uscreen = universe->uscreen;
+    FILE *ulogfile = universe->ulogfile;
+    if (uscreen) {
+      fprintf(uscreen,BIGINT_FORMAT " %12.8g %12.8g ",
+              update->ntimestep,fmaxreplica,fmaxatom);
+      fprintf(uscreen,"%12.8g %12.8g %12.8g ",
+              gradvnorm0,gradvnorm1,gradvnormc);
+      fprintf(uscreen,"%12.8g %12.8g %12.8g ",ebf,ebr,endpt);
+      for (int i = 0; i < nreplica; i++)
+        fprintf(uscreen,"%12.8g %12.8g ",rdist[i],all[i][0]);
+      if (verbose) {
+	for (int i = 0; i < nreplica-1; i++)
+	  fprintf(uscreen,"%12.8g %12.8g ",all[i][2],all[i][5]);
+	fprintf(uscreen,"%12.8g %12.8g ",NAN,all[nreplica-1][5]);
+      }
+      fprintf(uscreen,"\n");
+    }
+
+    if (ulogfile) {
+      fprintf(ulogfile,BIGINT_FORMAT " %12.8g %12.8g ",
+              update->ntimestep,fmaxreplica,fmaxatom);
+      fprintf(ulogfile,"%12.8g %12.8g %12.8g ",
+              gradvnorm0,gradvnorm1,gradvnormc);
+      fprintf(ulogfile,"%12.8g %12.8g %12.8g ",ebf,ebr,endpt);
+      for (int i = 0; i < nreplica; i++)
+        fprintf(ulogfile,"%12.8g %12.8g ",rdist[i],all[i][0]);
+      if (verbose) {
+	for (int i = 0; i < nreplica-1; i++)
+	  fprintf(ulogfile,"%12.8g %12.8g ",all[i][2],all[i][5]);
+	fprintf(ulogfile,"%12.8g %12.8g ",NAN,all[nreplica-1][5]);
+      }
+      fprintf(ulogfile,"\n");
+      fflush(ulogfile);
+    }
+  }
+}
diff --git a/src/SPIN/neb_spin.h b/src/SPIN/neb_spin.h
new file mode 100644
index 0000000000000000000000000000000000000000..c128eaffa414bc52c5952fab28969c9a7dcf7716
--- /dev/null
+++ b/src/SPIN/neb_spin.h
@@ -0,0 +1,137 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef COMMAND_CLASS
+
+CommandStyle(neb/spin,NEBSpin)
+
+#else
+
+#ifndef LMP_NEB_SPIN_H
+#define LMP_NEB_SPIN_H
+
+#include <cstdio>
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class NEBSpin : protected Pointers {
+ public:
+  NEBSpin(class LAMMPS *);
+  ~NEBSpin();
+  void command(int, char **);  // process neb/spin command
+  void run();                  // run NEBSpin
+
+  double ebf,ebr;              // forward and reverse energy barriers
+
+ private:
+  int me,me_universe;          // my proc ID in world and universe
+  int ireplica,nreplica;
+  bool verbose;
+  MPI_Comm uworld;
+  MPI_Comm roots;              // MPI comm with 1 root proc from each world
+  FILE *fp;
+  int compressed;
+  double etol;                 // energy tolerance convergence criterion
+  double ttol;                 // torque tolerance convergence criterion
+  int n1steps, n2steps;        // number of steps in stage 1 and 2
+  int nevery;                  // output interval
+  char *inpfile;                // name of file containing final state
+
+  class FixNEBSpin *fneb;
+  int numall;                  // per-replica dimension of array all
+  double **all;                // PE,plen,nlen,gradvnorm from each replica
+  double *rdist;               // normalize reaction distance, 0 to 1
+  double *freplica;            // force on an image
+  double *fmaxatomInRepl;      // force on an image
+
+  void readfile(char *, int);
+  int initial_rotation(double *, double *, double);
+  void open(char *);
+  void print_status();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: NEBSpin command before simulation box is defined
+
+Self-explanatory.
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Cannot use NEBSpin with a single replica
+
+Self-explanatory.
+
+E: Cannot use NEBSpin unless atom map exists
+
+Use the atom_modify command to create an atom map.
+
+E: NEBSpin requires use of fix neb
+
+Self-explanatory.
+
+E: NEBSpin requires damped dynamics minimizer
+
+Use a different minimization style.
+
+E: Too many timesteps for NEBSpin
+
+You must use a number of timesteps that fit in a 32-bit integer
+for NEBSpin.
+
+E: Too many timesteps
+
+The cumulative timesteps must fit in a 64-bit integer.
+
+E: Unexpected end of neb/spin file
+
+A read operation from the file failed.
+
+E: Incorrect atom format in neb/spin file
+
+The number of fields per line is not what expected.
+
+E: Invalid atom IDs in neb/spin file
+
+An ID in the file was not found in the system.
+
+E: Cannot open gzipped file
+
+LAMMPS was compiled without support for reading and writing gzipped
+files through a pipeline to the gzip program with -DLAMMPS_GZIP.
+
+E: Cannot open file %s
+
+The specified file cannot be opened.  Check that the path and name are
+correct. If the file is a compressed file, also check that the gzip
+executable can be found and run.
+
+U: Can only use NEBSpin with 1-processor replicas
+
+This is current restriction for NEBSpin as implemented in LAMMPS.
+
+U: Cannot use NEBSpin with atom_modify sort enabled
+
+This is current restriction for NEBSpin implemented in LAMMPS.
+
+*/
diff --git a/src/SPIN/pair_spin_dipole_cut.cpp b/src/SPIN/pair_spin_dipole_cut.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4ff198488ad4c809e47e563d4f4a2000b207f493
--- /dev/null
+++ b/src/SPIN/pair_spin_dipole_cut.cpp
@@ -0,0 +1,537 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+                         Stan Moore (SNL)
+
+   Please cite the related publication:
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
+   and molecular dynamics. Journal of Computational Physics.
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include "pair_spin_dipole_cut.h"
+#include "atom.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "fix_nve_spin.h"
+#include "force.h"
+#include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "error.h"
+#include "update.h"
+
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+/* ---------------------------------------------------------------------- */
+
+PairSpinDipoleCut::PairSpinDipoleCut(LAMMPS *lmp) : PairSpin(lmp),
+lockfixnvespin(NULL)
+{
+  single_enable = 0;
+  spinflag = 1;
+  respa_enable = 0;
+  no_virial_fdotr_compute = 1;
+  lattice_flag = 0;
+
+  hbar = force->hplanck/MY_2PI;			// eV/(rad.THz)
+  mub = 9.274e-4;                               // in A.Ang^2
+  mu_0 = 785.15;                                // in eV/Ang/A^2
+  mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);     // in eV.Ang^3
+  //mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);	// in eV
+  mub2mu0hbinv = mub2mu0 / hbar;		// in rad.THz
+
+}
+
+/* ----------------------------------------------------------------------
+   free all arrays
+------------------------------------------------------------------------- */
+
+PairSpinDipoleCut::~PairSpinDipoleCut()
+{
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cut_spin_long);
+    memory->destroy(cutsq);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::settings(int narg, char **arg)
+{
+  if (narg < 1 || narg > 2)
+    error->all(FLERR,"Incorrect args in pair_style command");
+
+  if (strcmp(update->unit_style,"metal") != 0)
+    error->all(FLERR,"Spin simulations require metal unit style");
+
+  if (!atom->sp) 
+    error->all(FLERR,"Pair/spin style requires atom attribute sp");
+
+  cut_spin_long_global = force->numeric(FLERR,arg[0]);
+  
+  // reset cutoffs that have been explicitly set
+  
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++) {
+      for (j = i+1; j <= atom->ntypes; j++) {
+        if (setflag[i][j]) {
+          cut_spin_long[i][j] = cut_spin_long_global;
+        }
+      }
+    }
+  }
+
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::coeff(int narg, char **arg)
+{
+  if (!allocated) allocate();
+ 
+  if (narg != 3) 
+    error->all(FLERR,"Incorrect args in pair_style command");
+  
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  double spin_long_cut_one = force->numeric(FLERR,arg[2]);
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      setflag[i][j] = 1;
+      cut_spin_long[i][j] = spin_long_cut_one;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::init_style()
+{
+  if (!atom->sp_flag)
+    error->all(FLERR,"Pair spin requires atom/spin style");
+  
+  // need a full neighbor list
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  
+  // checking if nve/spin or neb/spin are a listed fix
+
+  int ifix = 0;
+  while (ifix < modify->nfix) {
+    if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
+    ifix++;
+  }
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
+
+  // get the lattice_flag from nve/spin
+
+  for (int i = 0; i < modify->nfix; i++) {
+    if (strcmp(modify->fix[i]->style,"nve/spin") == 0) {
+      lockfixnvespin = (FixNVESpin *) modify->fix[i];
+      lattice_flag = lockfixnvespin->lattice_flag;
+    }
+  }
+
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairSpinDipoleCut::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  
+  cut_spin_long[j][i] = cut_spin_long[i][j];
+  
+  return cut_spin_long_global;
+}
+
+/* ----------------------------------------------------------------------
+   extract the larger cutoff if "cut" or "cut_coul"
+------------------------------------------------------------------------- */
+
+void *PairSpinDipoleCut::extract(const char *str, int &dim)
+{
+  if (strcmp(str,"cut") == 0) {
+    dim = 0;
+    return (void *) &cut_spin_long_global;
+  } else if (strcmp(str,"cut_coul") == 0) {
+    dim = 0;
+    return (void *) &cut_spin_long_global;
+  } else if (strcmp(str,"ewald_order") == 0) {
+    ewald_order = 0;
+    ewald_order |= 1<<1;
+    ewald_order |= 1<<3;
+    dim = 0;
+    return (void *) &ewald_order;
+  } else if (strcmp(str,"ewald_mix") == 0) {
+    dim = 0;
+    return (void *) &mix_flag;
+  }
+  return NULL;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;  
+  int *ilist,*jlist,*numneigh,**firstneigh;  
+  double rinv,r2inv,r3inv,rsq,local_cut2,evdwl,ecoul;
+  double xi[3],rij[3],eij[3],spi[4],spj[4],fi[3],fmi[3];
+
+  evdwl = ecoul = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  int *type = atom->type;  
+  int nlocal = atom->nlocal;  
+  int newton_pair = force->newton_pair;
+  double **x = atom->x;
+  double **f = atom->f;
+  double **fm = atom->fm;
+  double **sp = atom->sp;	
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // computation of the exchange interaction
+  // loop over atoms and their neighbors
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xi[0] = x[i][0];
+    xi[1] = x[i][1];
+    xi[2] = x[i][2];
+    jlist = firstneigh[i];
+    jnum = numneigh[i]; 
+    spi[0] = sp[i][0]; 
+    spi[1] = sp[i][1]; 
+    spi[2] = sp[i][2];
+    spi[3] = sp[i][3];
+    itype = type[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+
+      spj[0] = sp[j][0]; 
+      spj[1] = sp[j][1]; 
+      spj[2] = sp[j][2]; 
+      spj[3] = sp[j][3]; 
+
+      evdwl = 0.0;
+      fi[0] = fi[1] = fi[2] = 0.0;
+      fmi[0] = fmi[1] = fmi[2] = 0.0;
+     
+      rij[0] = x[j][0] - xi[0];
+      rij[1] = x[j][1] - xi[1];
+      rij[2] = x[j][2] - xi[2];
+      rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
+      rinv = 1.0/sqrt(rsq);
+      eij[0] = rij[0]*rinv;
+      eij[1] = rij[1]*rinv;
+      eij[2] = rij[2]*rinv;
+
+      local_cut2 = cut_spin_long[itype][jtype]*cut_spin_long[itype][jtype];
+
+      if (rsq < local_cut2) {
+        r2inv = 1.0/rsq;
+	r3inv = r2inv*rinv;
+	
+	compute_dipolar(i,j,eij,fmi,spi,spj,r3inv);
+	if (lattice_flag) compute_dipolar_mech(i,j,eij,fi,spi,spj,r2inv);
+      }
+
+      // force accumulation
+
+      f[i][0] += fi[0]; 
+      f[i][1] += fi[1];  	  
+      f[i][2] += fi[2];
+      fm[i][0] += fmi[0];
+      fm[i][1] += fmi[1];
+      fm[i][2] += fmi[2];
+
+      if (newton_pair || j < nlocal) {
+	f[j][0] -= fi[0];	 
+        f[j][1] -= fi[1];	  	  
+        f[j][2] -= fi[2];
+      }
+
+      if (eflag) {
+	if (rsq <= local_cut2) {
+	  evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
+	  evdwl *= hbar;
+	}
+      } else evdwl = 0.0;
+
+      if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
+	  evdwl,ecoul,fi[0],fi[1],fi[2],rij[0],rij[1],rij[2]);
+
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   update the pair interaction fmi acting on the spin ii
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::compute_single_pair(int ii, double fmi[3])
+{
+  int j,jnum,itype,jtype,ntypes; 
+  int *ilist,*jlist,*numneigh,**firstneigh;  
+  double rsq,rinv,r2inv,r3inv,local_cut2;
+  double xi[3],rij[3],eij[3],spi[4],spj[4];
+
+  int k,locflag;
+  int *type = atom->type;  
+  double **x = atom->x;
+  double **sp = atom->sp;	
+
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // check if interaction applies to type of ii
+  
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
+ 
+  if (locflag == 1) {
+
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
+    spi[0] = sp[ii][0]; 
+    spi[1] = sp[ii][1]; 
+    spi[2] = sp[ii][2];
+    spi[3] = sp[ii][3];
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii]; 
+    
+    for (int jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+
+      spj[0] = sp[j][0]; 
+      spj[1] = sp[j][1]; 
+      spj[2] = sp[j][2]; 
+      spj[3] = sp[j][3]; 
+
+      rij[0] = x[j][0] - xi[0];
+      rij[1] = x[j][1] - xi[1];
+      rij[2] = x[j][2] - xi[2];
+      rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
+      rinv = 1.0/sqrt(rsq);
+      eij[0] = rij[0]*rinv;
+      eij[1] = rij[1]*rinv;
+      eij[2] = rij[2]*rinv;
+
+      local_cut2 = cut_spin_long[itype][jtype]*cut_spin_long[itype][jtype];
+
+      if (rsq < local_cut2) {
+        r2inv = 1.0/rsq;
+        r3inv = r2inv*rinv;
+        
+        // compute dipolar interaction
+        
+        compute_dipolar(ii,j,eij,fmi,spi,spj,r3inv);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute dipolar interaction between spins i and j
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::compute_dipolar(int i, int j, double eij[3], 
+    double fmi[3], double spi[4], double spj[4], double r3inv)
+{
+  double sjdotr;
+  double gigjiri3,pre;
+
+  sjdotr = spj[0]*eij[0] + spj[1]*eij[1] + spj[2]*eij[2];
+  gigjiri3 = (spi[3] * spj[3])*r3inv;
+  pre = mub2mu0hbinv * gigjiri3;
+
+  fmi[0] += pre * (3.0 * sjdotr *eij[0] - spj[0]);
+  fmi[1] += pre * (3.0 * sjdotr *eij[1] - spj[1]);
+  fmi[2] += pre * (3.0 * sjdotr *eij[2] - spj[2]);
+}
+
+/* ----------------------------------------------------------------------
+   compute the mechanical force due to the dipolar interaction between 
+   atom i and atom j
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::compute_dipolar_mech(int i, int j, double eij[3],
+    double fi[3], double spi[3], double spj[3], double r2inv)
+{
+  double sisj,sieij,sjeij;
+  double gigjri4,bij,pre;
+
+  gigjri4 = (spi[3] * spj[3])*r2inv*r2inv;
+  sisj = spi[0]*spj[0] + spi[1]*spj[1] + spi[2]*spj[2];
+  sieij = spi[0]*eij[0] + spi[1]*eij[1] + spi[2]*eij[2];
+  sjeij = spj[0]*eij[0] + spj[1]*eij[1] + spj[2]*eij[2];
+  
+  bij = sisj - 5.0*sieij*sjeij;
+  pre = 3.0*mub2mu0*gigjri4;
+
+  fi[0] -= pre * (eij[0] * bij + (sjeij*spi[0] + sieij*spj[0]));
+  fi[1] -= pre * (eij[1] * bij + (sjeij*spi[1] + sieij*spj[1]));
+  fi[2] -= pre * (eij[2] * bij + (sjeij*spi[2] + sieij*spj[2]));
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cut_spin_long,n+1,n+1,"pair/spin/long:cut_spin_long");
+  memory->create(cutsq,n+1,n+1,"pair/spin/long:cutsq");
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::write_restart(FILE *fp)
+{
+  write_restart_settings(fp);
+
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+	fwrite(&cut_spin_long[i][j],sizeof(int),1,fp);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::read_restart(FILE *fp)
+{
+  read_restart_settings(fp);
+
+  allocate();
+
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+	if (me == 0) {
+	  fread(&cut_spin_long[i][j],sizeof(int),1,fp);
+	}
+	MPI_Bcast(&cut_spin_long[i][j],1,MPI_INT,0,world);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::write_restart_settings(FILE *fp)
+{
+  fwrite(&cut_spin_long_global,sizeof(double),1,fp);
+  fwrite(&mix_flag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleCut::read_restart_settings(FILE *fp)
+{
+  if (comm->me == 0) {
+    fread(&cut_spin_long_global,sizeof(double),1,fp);
+    fread(&mix_flag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&cut_spin_long_global,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+}
diff --git a/src/SPIN/pair_spin_dipole_cut.h b/src/SPIN/pair_spin_dipole_cut.h
new file mode 100644
index 0000000000000000000000000000000000000000..77e452b179e1c2b33bbc14041186492d9bb4a875
--- /dev/null
+++ b/src/SPIN/pair_spin_dipole_cut.h
@@ -0,0 +1,100 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(spin/dipole/cut,PairSpinDipoleCut)
+
+#else
+
+#ifndef LMP_PAIR_SPIN_DIPOLE_CUT_H
+#define LMP_PAIR_SPIN_DIPOLE_CUT_H
+
+#include "pair_spin.h"
+
+namespace LAMMPS_NS {
+
+class PairSpinDipoleCut : public PairSpin {
+ public:
+  double cut_coul;
+  double **sigma;
+
+  PairSpinDipoleCut(class LAMMPS *);
+  ~PairSpinDipoleCut();
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+  void init_style();
+  void *extract(const char *, int &); 
+  
+  void compute(int, int);
+  void compute_single_pair(int, double *);
+
+  void compute_dipolar(int, int, double *, double *, double *, 
+      double *, double);
+  void compute_dipolar_mech(int, int, double *, double *, double *, 
+      double *, double);
+
+  void write_restart(FILE *);
+  void read_restart(FILE *);
+  void write_restart_settings(FILE *);
+  void read_restart_settings(FILE *);
+  
+  double cut_spin_long_global;	// global long cutoff distance 
+
+ protected:
+  double hbar;	 		// reduced Planck's constant
+  double mub;			// Bohr's magneton
+  double mu_0;			// vacuum permeability
+  double mub2mu0;		// prefactor for mech force
+  double mub2mu0hbinv;		// prefactor for mag force
+
+  double **cut_spin_long;	// cutoff distance long
+
+  double g_ewald;
+  int ewald_order;
+
+  int lattice_flag;			// flag for mech force computation
+  class FixNVESpin *lockfixnvespin;	// ptr for setups
+
+  void allocate();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Incorrect args in pair_style command
+
+Self-explanatory.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Pair dipole/long requires atom attributes q, mu, torque
+
+The atom style defined does not have these attributes.
+
+E: Cannot (yet) use 'electron' units with dipoles
+
+This feature is not yet supported.
+
+E: Pair style requires a KSpace style
+
+No kspace style is defined.
+
+*/
diff --git a/src/SPIN/pair_spin_dipole_long.cpp b/src/SPIN/pair_spin_dipole_long.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e3575a6a07b5d600b1f89f2f8b57e1e5398f54e9
--- /dev/null
+++ b/src/SPIN/pair_spin_dipole_long.cpp
@@ -0,0 +1,607 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   Contributing authors: Julien Tranchida (SNL)
+			 Stan Moore (SNL)
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+
+#include "pair_spin_dipole_long.h"
+#include "atom.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "fix_nve_spin.h"
+#include "force.h"
+#include "kspace.h"
+#include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "error.h"
+#include "update.h"
+
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+#define EWALD_F   1.12837917
+#define EWALD_P   0.3275911
+#define A1        0.254829592
+#define A2       -0.284496736
+#define A3        1.421413741
+#define A4       -1.453152027
+#define A5        1.061405429
+
+/* ---------------------------------------------------------------------- */
+
+PairSpinDipoleLong::PairSpinDipoleLong(LAMMPS *lmp) : PairSpin(lmp),
+lockfixnvespin(NULL)
+{
+  single_enable = 0;
+  ewaldflag = pppmflag = spinflag = 1;
+  respa_enable = 0;
+  no_virial_fdotr_compute = 1;
+  lattice_flag = 0;
+
+  hbar = force->hplanck/MY_2PI;			// eV/(rad.THz)
+  mub = 9.274e-4;                               // in A.Ang^2
+  mu_0 = 785.15;                                // in eV/Ang/A^2
+  mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);     // in eV.Ang^3
+  //mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI);	// in eV
+  mub2mu0hbinv = mub2mu0 / hbar;		// in rad.THz
+
+}
+
+/* ----------------------------------------------------------------------
+   free all arrays
+------------------------------------------------------------------------- */
+
+PairSpinDipoleLong::~PairSpinDipoleLong()
+{
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cut_spin_long);
+    memory->destroy(cutsq);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::settings(int narg, char **arg)
+{
+  if (narg < 1 || narg > 2)
+    error->all(FLERR,"Incorrect args in pair_style command");
+
+  if (strcmp(update->unit_style,"metal") != 0)
+    error->all(FLERR,"Spin simulations require metal unit style");
+
+  cut_spin_long_global = force->numeric(FLERR,arg[0]);
+  
+  // reset cutoffs that have been explicitly set
+  
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++) {
+      for (j = i+1; j <= atom->ntypes; j++) {
+        if (setflag[i][j]) {
+          cut_spin_long[i][j] = cut_spin_long_global;
+        }
+      }
+    }
+  }
+
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::coeff(int narg, char **arg)
+{
+  if (!allocated) allocate();
+  
+  if (narg != 3)
+    error->all(FLERR,"Incorrect args in pair_style command");
+  
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  double spin_long_cut_one = force->numeric(FLERR,arg[2]);
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      setflag[i][j] = 1;
+      cut_spin_long[i][j] = spin_long_cut_one;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::init_style()
+{
+  if (!atom->sp_flag)
+    error->all(FLERR,"Pair spin requires atom/spin style");
+  
+  // need a full neighbor list
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  
+  // checking if nve/spin or neb/spin are a listed fix
+
+  int ifix = 0;
+  while (ifix < modify->nfix) {
+    if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
+    ifix++;
+  }
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
+
+  // get the lattice_flag from nve/spin
+
+  for (int i = 0; i < modify->nfix; i++) {
+    if (strcmp(modify->fix[i]->style,"nve/spin") == 0) {
+      lockfixnvespin = (FixNVESpin *) modify->fix[i];
+      lattice_flag = lockfixnvespin->lattice_flag;
+    }
+  }
+
+  // insure use of KSpace long-range solver, set g_ewald
+
+  if (force->kspace == NULL)
+    error->all(FLERR,"Pair style requires a KSpace style");
+
+  g_ewald = force->kspace->g_ewald;
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairSpinDipoleLong::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  
+  cut_spin_long[j][i] = cut_spin_long[i][j];
+  
+  return cut_spin_long_global;
+}
+
+/* ----------------------------------------------------------------------
+   extract the larger cutoff if "cut" or "cut_coul"
+------------------------------------------------------------------------- */
+
+void *PairSpinDipoleLong::extract(const char *str, int &dim)
+{
+  if (strcmp(str,"cut") == 0) {
+    dim = 0;
+    return (void *) &cut_spin_long_global;
+  } else if (strcmp(str,"cut_coul") == 0) {
+    dim = 0;
+    return (void *) &cut_spin_long_global;
+  } else if (strcmp(str,"ewald_order") == 0) {
+    ewald_order = 0;
+    ewald_order |= 1<<1;
+    ewald_order |= 1<<3;
+    dim = 0;
+    return (void *) &ewald_order;
+  } else if (strcmp(str,"ewald_mix") == 0) {
+    dim = 0;
+    return (void *) &mix_flag;
+  }
+  return NULL;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;  
+  double r,rinv,r2inv,rsq;
+  double grij,expm2,t,erfc;
+  double evdwl,ecoul;
+  double bij[4];
+  double xi[3],rij[3],eij[3];
+  double spi[4],spj[4];
+  double fi[3],fmi[3];
+  double local_cut2;
+  double pre1,pre2,pre3;
+  int *ilist,*jlist,*numneigh,**firstneigh;  
+
+  evdwl = ecoul = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double **fm = atom->fm;
+  double **sp = atom->sp;	
+  int *type = atom->type;  
+  int nlocal = atom->nlocal;  
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  pre1 = 2.0 * g_ewald / MY_PIS;
+  pre2 = 4.0 * pow(g_ewald,3.0) / MY_PIS;
+  pre3 = 8.0 * pow(g_ewald,5.0) / MY_PIS;
+
+  // computation of the exchange interaction
+  // loop over atoms and their neighbors
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xi[0] = x[i][0];
+    xi[1] = x[i][1];
+    xi[2] = x[i][2];
+    jlist = firstneigh[i];
+    jnum = numneigh[i]; 
+    spi[0] = sp[i][0]; 
+    spi[1] = sp[i][1]; 
+    spi[2] = sp[i][2];
+    spi[3] = sp[i][3];
+    itype = type[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+
+      spj[0] = sp[j][0]; 
+      spj[1] = sp[j][1]; 
+      spj[2] = sp[j][2]; 
+      spj[3] = sp[j][3]; 
+
+      evdwl = 0.0;
+
+      fi[0] = fi[1] = fi[2] = 0.0;
+      fmi[0] = fmi[1] = fmi[2] = 0.0;
+      bij[0] = bij[1] = bij[2] = bij[3] = 0.0;
+     
+      rij[0] = x[j][0] - xi[0];
+      rij[1] = x[j][1] - xi[1];
+      rij[2] = x[j][2] - xi[2];
+      rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
+      rinv = 1.0/sqrt(rsq);
+      eij[0] = rij[0]*rinv;
+      eij[1] = rij[1]*rinv;
+      eij[2] = rij[2]*rinv;
+
+      local_cut2 = cut_spin_long[itype][jtype]*cut_spin_long[itype][jtype];
+
+      if (rsq < local_cut2) {
+        r2inv = 1.0/rsq;
+
+        r = sqrt(rsq);
+        grij = g_ewald * r;
+        expm2 = exp(-grij*grij);
+        t = 1.0 / (1.0 + EWALD_P*grij);
+        erfc = t * (A1+t*(A2+t*(A3+t*(A4+t*A5)))) * expm2;
+
+        bij[0] = erfc * rinv;
+        bij[1] = (bij[0] + pre1*expm2) * r2inv;
+        bij[2] = (3.0*bij[1] + pre2*expm2) * r2inv;
+        bij[3] = (5.0*bij[2] + pre3*expm2) * r2inv;
+
+	compute_long(i,j,eij,bij,fmi,spi,spj);
+	compute_long_mech(i,j,eij,bij,fmi,spi,spj);
+      }
+
+      // force accumulation
+
+      f[i][0] += fi[0];	 
+      f[i][1] += fi[1];	  	  
+      f[i][2] += fi[2];
+      fm[i][0] += fmi[0];	 
+      fm[i][1] += fmi[1];	  	  
+      fm[i][2] += fmi[2];
+
+      if (newton_pair || j < nlocal) {
+	f[j][0] -= fi[0];	 
+        f[j][1] -= fi[1];	  	  
+        f[j][2] -= fi[2];
+      }
+
+      if (eflag) {
+	if (rsq <= local_cut2) {
+	  evdwl -= spi[0]*fmi[0] + spi[1]*fmi[1] + 
+	    spi[2]*fmi[2];
+	  evdwl *= hbar;
+	}
+      } else evdwl = 0.0;
+
+
+      if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
+	  evdwl,ecoul,fi[0],fi[1],fi[2],rij[0],rij[1],rij[2]);
+
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   update the pair interaction fmi acting on the spin ii
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::compute_single_pair(int ii, double fmi[3])
+{
+  //int i,j,jj,jnum,itype,jtype;  
+  int j,jj,jnum,itype,jtype,ntypes; 
+  int k,locflag;
+  int *ilist,*jlist,*numneigh,**firstneigh;  
+  double r,rinv,r2inv,rsq,grij,expm2,t,erfc;
+  double local_cut2,pre1,pre2,pre3;
+  double bij[4],xi[3],rij[3],eij[3],spi[4],spj[4];
+
+  int *type = atom->type;  
+  double **x = atom->x;
+  double **sp = atom->sp;	
+  double **fm_long = atom->fm_long;
+
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  
+  // check if interaction applies to type of ii
+
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
+
+  if (locflag == 1) {
+
+    pre1 = 2.0 * g_ewald / MY_PIS;
+    pre2 = 4.0 * pow(g_ewald,3.0) / MY_PIS;
+    pre3 = 8.0 * pow(g_ewald,5.0) / MY_PIS;
+
+    // computation of the exchange interaction
+    // loop over neighbors of atom i
+      
+    //i = ilist[ii];
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
+    spi[0] = sp[ii][0]; 
+    spi[1] = sp[ii][1]; 
+    spi[2] = sp[ii][2];
+    spi[3] = sp[ii][3];
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii]; 
+    //itype = type[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+
+      spj[0] = sp[j][0]; 
+      spj[1] = sp[j][1]; 
+      spj[2] = sp[j][2]; 
+      spj[3] = sp[j][3]; 
+
+      fmi[0] = fmi[1] = fmi[2] = 0.0;
+      bij[0] = bij[1] = bij[2] = bij[3] = 0.0;
+     
+      rij[0] = x[j][0] - xi[0];
+      rij[1] = x[j][1] - xi[1];
+      rij[2] = x[j][2] - xi[2];
+      rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
+      rinv = 1.0/sqrt(rsq);
+      eij[0] = rij[0]*rinv;
+      eij[1] = rij[1]*rinv;
+      eij[2] = rij[2]*rinv;
+
+      local_cut2 = cut_spin_long[itype][jtype]*cut_spin_long[itype][jtype];
+
+      if (rsq < local_cut2) {
+        r2inv = 1.0/rsq;
+
+        r = sqrt(rsq);
+        grij = g_ewald * r;
+        expm2 = exp(-grij*grij);
+        t = 1.0 / (1.0 + EWALD_P*grij);
+        erfc = t * (A1+t*(A2+t*(A3+t*(A4+t*A5)))) * expm2;
+
+        bij[0] = erfc * rinv;
+        bij[1] = (bij[0] + pre1*expm2) * r2inv;
+        bij[2] = (3.0*bij[1] + pre2*expm2) * r2inv;
+        bij[3] = (5.0*bij[2] + pre3*expm2) * r2inv;
+
+        compute_long(ii,j,eij,bij,fmi,spi,spj);
+      }
+    }
+
+    // adding the kspace components to fm
+    
+    fmi[0] += fm_long[ii][0];
+    fmi[1] += fm_long[ii][1];
+    fmi[2] += fm_long[ii][2];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   compute dipolar interaction between spins i and j
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::compute_long(int i, int j, double eij[3], 
+    double bij[4], double fmi[3], double spi[4], double spj[4])
+{
+  double sjeij,pre;
+  double b1,b2,gigj;
+
+  gigj = spi[3] * spj[3];
+  pre = gigj*mub2mu0hbinv;
+  sjeij = spj[0]*eij[0] + spj[1]*eij[1] + spj[2]*eij[2];
+
+  b1 = bij[1];
+  b2 = bij[2];
+
+  fmi[0] += pre * (b2 * sjeij * eij[0] - b1 * spj[0]);
+  fmi[1] += pre * (b2 * sjeij * eij[1] - b1 * spj[1]);
+  fmi[2] += pre * (b2 * sjeij * eij[2] - b1 * spj[2]);
+}
+
+/* ----------------------------------------------------------------------
+   compute the mechanical force due to the dipolar interaction between 
+   atom i and atom j
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::compute_long_mech(int i, int j, double eij[3],
+    double bij[4], double fi[3], double spi[3], double spj[3])
+{
+  double sisj,sieij,sjeij,b2,b3;
+  double g1,g2,g1b2_g2b3,gigj,pre;
+
+  gigj = spi[3] * spj[3];
+  pre = gigj*mub2mu0;
+  sisj = spi[0]*spj[0] + spi[1]*spj[1] + spi[2]*spj[2];
+  sieij = spi[0]*eij[0] + spi[1]*eij[1] + spi[2]*eij[2];
+  sjeij = spj[0]*eij[0] + spj[1]*eij[1] + spj[2]*eij[2];
+
+  b2 = bij[2];
+  b3 = bij[3];
+  g1 = sisj;
+  g2 = -sieij*sjeij;
+  g1b2_g2b3 = g1*b2 + g2*b3;
+
+  fi[0] += pre * (eij[0] * g1b2_g2b3 + b2 * (sjeij*spi[0] + sieij*spj[0]));
+  fi[1] += pre * (eij[1] * g1b2_g2b3 + b2 * (sjeij*spi[1] + sieij*spj[1]));
+  fi[2] += pre * (eij[2] * g1b2_g2b3 + b2 * (sjeij*spi[2] + sieij*spj[2]));
+}
+
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cut_spin_long,n+1,n+1,"pair/spin/long:cut_spin_long");
+  memory->create(cutsq,n+1,n+1,"pair/spin/long:cutsq");
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::write_restart(FILE *fp)
+{
+  write_restart_settings(fp);
+
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+	fwrite(&cut_spin_long[i][j],sizeof(int),1,fp);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::read_restart(FILE *fp)
+{
+  read_restart_settings(fp);
+
+  allocate();
+
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++) {
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+	if (me == 0) {
+	  fread(&cut_spin_long[i][j],sizeof(int),1,fp);
+	}
+	MPI_Bcast(&cut_spin_long[i][j],1,MPI_INT,0,world);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::write_restart_settings(FILE *fp)
+{
+  fwrite(&cut_spin_long_global,sizeof(double),1,fp);
+  fwrite(&mix_flag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairSpinDipoleLong::read_restart_settings(FILE *fp)
+{
+  if (comm->me == 0) {
+    fread(&cut_spin_long_global,sizeof(double),1,fp);
+    fread(&mix_flag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&cut_spin_long_global,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+}
diff --git a/src/SPIN/pair_spin_dipole_long.h b/src/SPIN/pair_spin_dipole_long.h
new file mode 100644
index 0000000000000000000000000000000000000000..6a05f560322a4031801a2f38c4bd10e40d6ee30d
--- /dev/null
+++ b/src/SPIN/pair_spin_dipole_long.h
@@ -0,0 +1,100 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(spin/dipole/long,PairSpinDipoleLong)
+
+#else
+
+#ifndef LMP_PAIR_SPIN_DIPOLE_LONG_H
+#define LMP_PAIR_SPIN_DIPOLE_LONG_H
+
+#include "pair_spin.h"
+
+namespace LAMMPS_NS {
+
+class PairSpinDipoleLong : public PairSpin {
+ public:
+  double cut_coul;
+  double **sigma;
+
+  PairSpinDipoleLong(class LAMMPS *);
+  ~PairSpinDipoleLong();
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+  void init_style();
+  void *extract(const char *, int &); 
+  
+  void compute(int, int);
+  void compute_single_pair(int, double *);
+
+  void compute_long(int, int, double *, double *, double *, 
+      double *, double *);
+  void compute_long_mech(int, int, double *, double *, double *, 
+      double *, double *);
+
+  void write_restart(FILE *);
+  void read_restart(FILE *);
+  void write_restart_settings(FILE *);
+  void read_restart_settings(FILE *);
+  
+  double cut_spin_long_global;	// global long cutoff distance 
+
+ protected:
+  double hbar;	 		// reduced Planck's constant
+  double mub;			// Bohr's magneton
+  double mu_0;			// vacuum permeability
+  double mub2mu0;		// prefactor for mech force
+  double mub2mu0hbinv;		// prefactor for mag force
+
+  double **cut_spin_long;	// cutoff distance long
+
+  double g_ewald;
+  int ewald_order;
+
+  int lattice_flag;			// flag for mech force computation
+  class FixNVESpin *lockfixnvespin;	// ptr for setups
+
+  void allocate();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Incorrect args in pair_style command
+
+Self-explanatory.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Pair dipole/long requires atom attributes q, mu, torque
+
+The atom style defined does not have these attributes.
+
+E: Can only use 'metal' units with spins
+
+This feature is not yet supported.
+
+E: Pair style requires a KSpace style
+
+No kspace style is defined.
+
+*/
diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp
index 18682fdb9f91869f6dc0c8369b0b2451560b2e79..41430d230f40c9506bd749f909ba4bf417e9fdda 100644
--- a/src/SPIN/pair_spin_dmi.cpp
+++ b/src/SPIN/pair_spin_dmi.cpp
@@ -171,10 +171,11 @@ void PairSpinDmi::init_style()
   int ifix = 0;
   while (ifix < modify->nfix) {
     if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
     ifix++;
   }
-  if (ifix == modify->nfix)
-    error->all(FLERR,"pair/spin style requires nve/spin");
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
 
   // get the lattice_flag from nve/spin
 
@@ -233,13 +234,12 @@ void PairSpinDmi::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
   double **fm = atom->fm;
-  double **sp = atom->sp;	
+  double **sp = atom->sp;
   int *type = atom->type;
   int nlocal = atom->nlocal;
   int newton_pair = force->newton_pair;
@@ -296,32 +296,32 @@ void PairSpinDmi::compute(int eflag, int vflag)
       // compute dmi interaction
 
       if (rsq <= local_cut2) {
-	compute_dmi(i,j,eij,fmi,spj);
-	if (lattice_flag) {
-	  compute_dmi_mech(i,j,rsq,eij,fi,spi,spj);
-	}
+        compute_dmi(i,j,eij,fmi,spj);
+        if (lattice_flag) {
+          compute_dmi_mech(i,j,rsq,eij,fi,spi,spj);
+        }
       }
 
-      f[i][0] += fi[0];	
-      f[i][1] += fi[1];	  	
+      f[i][0] += fi[0];
+      f[i][1] += fi[1];
       f[i][2] += fi[2];
-      fm[i][0] += fmi[0];	
-      fm[i][1] += fmi[1];	  	
+      fm[i][0] += fmi[0];
+      fm[i][1] += fmi[1];
       fm[i][2] += fmi[2];
 
       if (newton_pair || j < nlocal) {
-	f[j][0] -= fi[0];	
-        f[j][1] -= fi[1];	  	
+        f[j][0] -= fi[0];
+        f[j][1] -= fi[1];
         f[j][2] -= fi[2];
       }
 
       if (eflag) {
-	evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-	evdwl *= hbar;
+        evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
+        evdwl *= hbar;
       } else evdwl = 0.0;
 
       if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
-	  evdwl,ecoul,fi[0],fi[1],fi[2],delx,dely,delz);
+          evdwl,ecoul,fi[0],fi[1],fi[2],delx,dely,delz);
     }
   }
 
@@ -329,7 +329,9 @@ void PairSpinDmi::compute(int eflag, int vflag)
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   update the pair interactions fmi acting on the spin ii
+------------------------------------------------------------------------- */
 
 void PairSpinDmi::compute_single_pair(int ii, double fmi[3])
 {
@@ -341,52 +343,76 @@ void PairSpinDmi::compute_single_pair(int ii, double fmi[3])
   double delx,dely,delz;
   double spj[3];
 
-  int i,j,jnum,itype,jtype;
-  int *ilist,*jlist,*numneigh,**firstneigh;
+  int j,jnum,itype,jtype,ntypes;
+  int k,locflag;
+  int *jlist,*numneigh,**firstneigh;
 
   double rsq, inorm;
 
-  ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
 
-  i = ilist[ii];
-  itype = type[i];
+  // check if interaction applies to type of ii
+
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
 
-  xi[0] = x[i][0];
-  xi[1] = x[i][1];
-  xi[2] = x[i][2];
+  //i = ilist[ii];
+  if (locflag == 1) {
 
-  jlist = firstneigh[i];
-  jnum = numneigh[i];
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
 
-  for (int jj = 0; jj < jnum; jj++) {
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii];
 
-    j = jlist[jj];
-    j &= NEIGHMASK;
-    jtype = type[j];
+    for (int jj = 0; jj < jnum; jj++) {
+
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
 
-    spj[0] = sp[j][0];
-    spj[1] = sp[j][1];
-    spj[2] = sp[j][2];
+      spj[0] = sp[j][0];
+      spj[1] = sp[j][1];
+      spj[2] = sp[j][2];
 
-    delx = xi[0] - x[j][0];
-    dely = xi[1] - x[j][1];
-    delz = xi[2] - x[j][2];
-    rsq = delx*delx + dely*dely + delz*delz;
-    inorm = 1.0/sqrt(rsq);
-    eij[0] = -inorm*delx;
-    eij[1] = -inorm*dely;
-    eij[2] = -inorm*delz;
+      delx = xi[0] - x[j][0];
+      dely = xi[1] - x[j][1];
+      delz = xi[2] - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      inorm = 1.0/sqrt(rsq);
+      eij[0] = -inorm*delx;
+      eij[1] = -inorm*dely;
+      eij[2] = -inorm*delz;
 
-    local_cut2 = cut_spin_dmi[itype][jtype]*cut_spin_dmi[itype][jtype];
+      local_cut2 = cut_spin_dmi[itype][jtype]*cut_spin_dmi[itype][jtype];
 
-    if (rsq <= local_cut2) {
-      compute_dmi(i,j,eij,fmi,spj);
+      if (rsq <= local_cut2) {
+        compute_dmi(ii,j,eij,fmi,spj);
+      }
     }
-
   }
-
 }
 
 /* ----------------------------------------------------------------------
@@ -397,7 +423,7 @@ void PairSpinDmi::compute_dmi(int i, int j, double eij[3], double fmi[3], double
 {
   int *type = atom->type;
   int itype, jtype;
-  double dmix, dmiy, dmiz;	
+  double dmix, dmiy, dmiz;
   itype = type[i];
   jtype = type[j];
 
@@ -405,9 +431,9 @@ void PairSpinDmi::compute_dmi(int i, int j, double eij[3], double fmi[3], double
   dmiy = eij[2]*v_dmx[itype][jtype] - eij[0]*v_dmz[itype][jtype];
   dmiz = eij[0]*v_dmy[itype][jtype] - eij[1]*v_dmx[itype][jtype];
 
-  fmi[0] -= (spj[1]*dmiz - spj[2]*dmiy);
-  fmi[1] -= (spj[2]*dmix - spj[0]*dmiz);
-  fmi[2] -= (spj[0]*dmiy - spj[1]*dmix);
+  fmi[0] -= (dmiy*spj[2] - dmiz*spj[1]);
+  fmi[1] -= (dmiz*spj[0] - dmix*spj[2]);
+  fmi[2] -= (dmix*spj[1] - dmiy*spj[0]);
 }
 
 /* ----------------------------------------------------------------------
@@ -419,7 +445,7 @@ void PairSpinDmi::compute_dmi_mech(int i, int j, double rsq, double /*eij*/[3],
 {
   int *type = atom->type;
   int itype, jtype;
-  double dmix,dmiy,dmiz;	
+  double dmix,dmiy,dmiz;
   itype = type[i];
   jtype = type[j];
   double csx,csy,csz,cdmx,cdmy,cdmz,irij;
@@ -484,7 +510,7 @@ void PairSpinDmi::write_restart(FILE *fp)
     for (j = i; j <= atom->ntypes; j++) {
       fwrite(&setflag[i][j],sizeof(int),1,fp);
       if (setflag[i][j]) {
-	fwrite(&DM[i][j],sizeof(double),1,fp);
+        fwrite(&DM[i][j],sizeof(double),1,fp);
         fwrite(&v_dmx[i][j],sizeof(double),1,fp);
         fwrite(&v_dmy[i][j],sizeof(double),1,fp);
         fwrite(&v_dmz[i][j],sizeof(double),1,fp);
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index 8cd9d33abded41835e8761ff6320416451741901..93b6d9501e5f668d68cdf6c88607332d0a52248e 100644
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -75,7 +75,7 @@ PairSpinExchange::~PairSpinExchange()
 
 void PairSpinExchange::settings(int narg, char **arg)
 {
-  if (narg < 1 || narg > 2)
+  if (narg < 1 || narg > 7) 
     error->all(FLERR,"Incorrect number of args in pair_style pair/spin command");
 
   if (strcmp(update->unit_style,"metal") != 0)
@@ -97,7 +97,7 @@ void PairSpinExchange::settings(int narg, char **arg)
 }
 
 /* ----------------------------------------------------------------------
-   set coeffs for one or more type spin pairs (only one for now)
+   set coeffs for one or more type spin pairs
 ------------------------------------------------------------------------- */
 
 void PairSpinExchange::coeff(int narg, char **arg)
@@ -153,15 +153,16 @@ void PairSpinExchange::init_style()
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
 
-  // checking if nve/spin is a listed fix
+  // checking if nve/spin or neb/spin are a listed fix
 
   int ifix = 0;
   while (ifix < modify->nfix) {
     if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
     ifix++;
   }
-  if (ifix == modify->nfix)
-    error->all(FLERR,"pair/spin style requires nve/spin");
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
 
   // get the lattice_flag from nve/spin
 
@@ -218,13 +219,12 @@ void PairSpinExchange::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
   double **fm = atom->fm;
-  double **sp = atom->sp;	
+  double **sp = atom->sp;
   int *type = atom->type;
   int nlocal = atom->nlocal;
   int newton_pair = force->newton_pair;
@@ -279,32 +279,32 @@ void PairSpinExchange::compute(int eflag, int vflag)
       // compute exchange interaction
 
       if (rsq <= local_cut2) {
-	compute_exchange(i,j,rsq,fmi,spj);
+        compute_exchange(i,j,rsq,fmi,spj);
         if (lattice_flag) {
-	  compute_exchange_mech(i,j,rsq,eij,fi,spi,spj);
-	}
+          compute_exchange_mech(i,j,rsq,eij,fi,spi,spj);
+        }
       }
 
-      f[i][0] += fi[0];	
-      f[i][1] += fi[1];	  	
+      f[i][0] += fi[0];
+      f[i][1] += fi[1];
       f[i][2] += fi[2];
-      fm[i][0] += fmi[0];	
-      fm[i][1] += fmi[1];	  	
+      fm[i][0] += fmi[0];
+      fm[i][1] += fmi[1];
       fm[i][2] += fmi[2];
 
       if (newton_pair || j < nlocal) {
-	f[j][0] -= fi[0];	
-        f[j][1] -= fi[1];	  	
+        f[j][0] -= fi[0];
+        f[j][1] -= fi[1];
         f[j][2] -= fi[2];
       }
 
       if (eflag) {
-	evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
-	evdwl *= hbar;
+        evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
+        evdwl *= hbar;
       } else evdwl = 0.0;
 
       if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,
-	  evdwl,ecoul,fi[0],fi[1],fi[2],delx,dely,delz);
+          evdwl,ecoul,fi[0],fi[1],fi[2],delx,dely,delz);
     }
   }
 
@@ -318,7 +318,6 @@ void PairSpinExchange::compute(int eflag, int vflag)
 
 void PairSpinExchange::compute_single_pair(int ii, double fmi[3])
 {
-
   int *type = atom->type;
   double **x = atom->x;
   double **sp = atom->sp;
@@ -327,46 +326,70 @@ void PairSpinExchange::compute_single_pair(int ii, double fmi[3])
   double delx,dely,delz;
   double spj[3];
 
-  int i,j,jnum,itype,jtype;
-  int *ilist,*jlist,*numneigh,**firstneigh;
+  int j,jnum,itype,jtype,ntypes;
+  int k,locflag;
+  int *jlist,*numneigh,**firstneigh;
 
   double rsq;
 
-  ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
 
-  i = ilist[ii];
-  itype = type[i];
+  // check if interaction applies to type of ii
+
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
+
+  if (locflag == 1) {
 
-  xi[0] = x[i][0];
-  xi[1] = x[i][1];
-  xi[2] = x[i][2];
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
 
-  jlist = firstneigh[i];
-  jnum = numneigh[i];
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii];
 
-  for (int jj = 0; jj < jnum; jj++) {
+    for (int jj = 0; jj < jnum; jj++) {
 
-    j = jlist[jj];
-    j &= NEIGHMASK;
-    jtype = type[j];
-    local_cut2 = cut_spin_exchange[itype][jtype]*cut_spin_exchange[itype][jtype];
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+      local_cut2 = cut_spin_exchange[itype][jtype]*cut_spin_exchange[itype][jtype];
 
-    spj[0] = sp[j][0];
-    spj[1] = sp[j][1];
-    spj[2] = sp[j][2];
+      spj[0] = sp[j][0];
+      spj[1] = sp[j][1];
+      spj[2] = sp[j][2];
 
-    delx = xi[0] - x[j][0];
-    dely = xi[1] - x[j][1];
-    delz = xi[2] - x[j][2];
-    rsq = delx*delx + dely*dely + delz*delz;
+      delx = xi[0] - x[j][0];
+      dely = xi[1] - x[j][1];
+      delz = xi[2] - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
 
-    if (rsq <= local_cut2) {
-      compute_exchange(i,j,rsq,fmi,spj);
+      if (rsq <= local_cut2) {
+        compute_exchange(ii,j,rsq,fmi,spj);
+      }
     }
   }
-
 }
 
 /* ----------------------------------------------------------------------
@@ -441,8 +464,6 @@ void PairSpinExchange::allocate()
   memory->create(cutsq,n+1,n+1,"pair:cutsq");
 }
 
-
-
 /* ----------------------------------------------------------------------
    proc 0 writes to restart file
 ------------------------------------------------------------------------- */
@@ -527,4 +548,3 @@ void PairSpinExchange::read_restart_settings(FILE *fp)
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
 }
-
diff --git a/src/SPIN/pair_spin_magelec.cpp b/src/SPIN/pair_spin_magelec.cpp
index 570c995754bad829711c8f5caf747273c0ab4ba6..1f1488b93cfdefc9631aefc6db179b35424d660e 100644
--- a/src/SPIN/pair_spin_magelec.cpp
+++ b/src/SPIN/pair_spin_magelec.cpp
@@ -142,7 +142,6 @@ void PairSpinMagelec::coeff(int narg, char **arg)
   }
   if (count == 0)
     error->all(FLERR,"Incorrect args in pair_style command");
-
 }
 
 /* ----------------------------------------------------------------------
@@ -165,10 +164,11 @@ void PairSpinMagelec::init_style()
   int ifix = 0;
   while (ifix < modify->nfix) {
     if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
     ifix++;
   }
-  if (ifix == modify->nfix)
-    error->all(FLERR,"pair/spin style requires nve/spin");
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
 
   // get the lattice_flag from nve/spin
 
@@ -226,8 +226,7 @@ void PairSpinMagelec::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -287,7 +286,7 @@ void PairSpinMagelec::compute(int eflag, int vflag)
       // compute me interaction
 
       if (rsq <= local_cut2) {
-        compute_magelec(i,j,rsq,eij,fmi,spj);
+        compute_magelec(i,j,eij,fmi,spj);
         if (lattice_flag) {
           compute_magelec_mech(i,j,fi,spi,spj);
         }
@@ -320,7 +319,9 @@ void PairSpinMagelec::compute(int eflag, int vflag)
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   update the pair interactions fmi acting on the spin ii
+------------------------------------------------------------------------- */
 
 void PairSpinMagelec::compute_single_pair(int ii, double fmi[3])
 {
@@ -332,55 +333,79 @@ void PairSpinMagelec::compute_single_pair(int ii, double fmi[3])
   double delx,dely,delz;
   double spj[3];
 
-  int i,j,jnum,itype,jtype;
-  int *ilist,*jlist,*numneigh,**firstneigh;
+  int j,jnum,itype,jtype,ntypes;
+  int k,locflag;
+  int *jlist,*numneigh,**firstneigh;
 
   double rsq, inorm;
 
-  ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
 
-  i = ilist[ii];
-  itype = type[i];
+  // check if interaction applies to type of ii
+
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
+
+  if (locflag == 1) {
 
-  xi[0] = x[i][0];
-  xi[1] = x[i][1];
-  xi[2] = x[i][2];
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
 
-  jlist = firstneigh[i];
-  jnum = numneigh[i];
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii];
 
-  for (int jj = 0; jj < jnum; jj++) {
+    for (int jj = 0; jj < jnum; jj++) {
 
-    j = jlist[jj];
-    j &= NEIGHMASK;
-    jtype = type[j];
-    local_cut2 = cut_spin_magelec[itype][jtype]*cut_spin_magelec[itype][jtype];
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+      local_cut2 = cut_spin_magelec[itype][jtype]*cut_spin_magelec[itype][jtype];
 
-    spj[0] = sp[j][0];
-    spj[1] = sp[j][1];
-    spj[2] = sp[j][2];
+      spj[0] = sp[j][0];
+      spj[1] = sp[j][1];
+      spj[2] = sp[j][2];
 
-    delx = xi[0] - x[j][0];
-    dely = xi[1] - x[j][1];
-    delz = xi[2] - x[j][2];
-    rsq = delx*delx + dely*dely + delz*delz;
-    inorm = 1.0/sqrt(rsq);
-    eij[0] = -inorm*delx;
-    eij[1] = -inorm*dely;
-    eij[2] = -inorm*delz;
+      delx = xi[0] - x[j][0];
+      dely = xi[1] - x[j][1];
+      delz = xi[2] - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      inorm = 1.0/sqrt(rsq);
+      eij[0] = -inorm*delx;
+      eij[1] = -inorm*dely;
+      eij[2] = -inorm*delz;
 
-    if (rsq <= local_cut2) {
-      compute_magelec(i,j,rsq,eij,fmi,spj);
+      if (rsq <= local_cut2) {
+        compute_magelec(ii,j,eij,fmi,spj);
+      }
     }
   }
-
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinMagelec::compute_magelec(int i, int j, double /*rsq*/, double eij[3], double fmi[3], double spj[3])
+void PairSpinMagelec::compute_magelec(int i, int j, double eij[3], double fmi[3], double spj[3])
 {
   int *type = atom->type;
   int itype, jtype;
diff --git a/src/SPIN/pair_spin_magelec.h b/src/SPIN/pair_spin_magelec.h
index ce1347627186877ec7774626741096b4841f3127..5e72a4c35e47d74bcf04e13a8495582239b11383 100644
--- a/src/SPIN/pair_spin_magelec.h
+++ b/src/SPIN/pair_spin_magelec.h
@@ -37,7 +37,7 @@ class PairSpinMagelec : public PairSpin {
   void compute(int, int);
   void compute_single_pair(int, double *);
 
-  void compute_magelec(int, int, double, double *, double *, double *);
+  void compute_magelec(int, int, double *, double *, double *);
   void compute_magelec_mech(int, int, double *, double *, double *);
 
   void write_restart(FILE *);
diff --git a/src/SPIN/pair_spin_neel.cpp b/src/SPIN/pair_spin_neel.cpp
index 55f537cf4fe1c4b2af7de3dc3a1945cca14b4f0e..03041da17fc65570504beaff1f58aa734791f92e 100644
--- a/src/SPIN/pair_spin_neel.cpp
+++ b/src/SPIN/pair_spin_neel.cpp
@@ -171,10 +171,11 @@ void PairSpinNeel::init_style()
   int ifix = 0;
   while (ifix < modify->nfix) {
     if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;
+    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;
     ifix++;
   }
-  if (ifix == modify->nfix)
-    error->all(FLERR,"pair/spin style requires nve/spin");
+  if ((ifix == modify->nfix) && (comm->me == 0))
+    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");
 
   // get the lattice_flag from nve/spin
 
@@ -232,8 +233,7 @@ void PairSpinNeel::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -330,7 +330,9 @@ void PairSpinNeel::compute(int eflag, int vflag)
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   update the pair interactions fmi acting on the spin ii
+------------------------------------------------------------------------- */
 
 void PairSpinNeel::compute_single_pair(int ii, double fmi[3])
 {
@@ -342,57 +344,81 @@ void PairSpinNeel::compute_single_pair(int ii, double fmi[3])
   double xi[3], rij[3], eij[3];
   double spi[3], spj[3];
 
-  int i,j,jnum,itype,jtype;
-  int *ilist,*jlist,*numneigh,**firstneigh;
+  int j,jnum,itype,jtype,ntypes;
+  int k,locflag;
+  int *jlist,*numneigh,**firstneigh;
 
   double rsq, inorm;
 
-  ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
 
-  i = ilist[ii];
-  itype = type[i];
+  // check if interaction applies to type of ii
+
+  itype = type[ii];
+  ntypes = atom->ntypes;
+  locflag = 0;
+  k = 1;
+  while (k <= ntypes) {
+    if (k <= itype) {
+      if (setflag[k][itype] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else if (k > itype) {
+      if (setflag[itype][k] == 1) {
+        locflag =1;
+        break;
+      }
+      k++;
+    } else error->all(FLERR,"Wrong type number");
+  }
+
+  // if interaction applies to type ii,
+  // locflag = 1 and compute pair interaction
 
-  spi[0] = sp[i][0];
-  spi[1] = sp[i][1];
-  spi[2] = sp[i][2];
+  if (locflag == 1) {
 
-  xi[0] = x[i][0];
-  xi[1] = x[i][1];
-  xi[2] = x[i][2];
+    spi[0] = sp[ii][0];
+    spi[1] = sp[ii][1];
+    spi[2] = sp[ii][2];
 
-  eij[0] = eij[1] = eij[2] = 0.0;
+    xi[0] = x[ii][0];
+    xi[1] = x[ii][1];
+    xi[2] = x[ii][2];
 
-  jlist = firstneigh[i];
-  jnum = numneigh[i];
+    eij[0] = eij[1] = eij[2] = 0.0;
 
-  for (int jj = 0; jj < jnum; jj++) {
+    jlist = firstneigh[ii];
+    jnum = numneigh[ii];
 
-    j = jlist[jj];
-    j &= NEIGHMASK;
-    jtype = type[j];
+    for (int jj = 0; jj < jnum; jj++) {
+
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
 
-    local_cut2 = cut_spin_neel[itype][jtype]*cut_spin_neel[itype][jtype];
+      local_cut2 = cut_spin_neel[itype][jtype]*cut_spin_neel[itype][jtype];
 
-    spj[0] = sp[j][0];
-    spj[1] = sp[j][1];
-    spj[2] = sp[j][2];
+      spj[0] = sp[j][0];
+      spj[1] = sp[j][1];
+      spj[2] = sp[j][2];
 
-    rij[0] = x[j][0] - xi[0];
-    rij[1] = x[j][1] - xi[1];
-    rij[2] = x[j][2] - xi[2];
-    rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
-    inorm = 1.0/sqrt(rsq);
-    eij[0] = inorm*rij[0];
-    eij[1] = inorm*rij[1];
-    eij[2] = inorm*rij[2];
+      rij[0] = x[j][0] - xi[0];
+      rij[1] = x[j][1] - xi[1];
+      rij[2] = x[j][2] - xi[2];
+      rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
+      inorm = 1.0/sqrt(rsq);
+      eij[0] = inorm*rij[0];
+      eij[1] = inorm*rij[1];
+      eij[2] = inorm*rij[2];
 
-    if (rsq <= local_cut2) {
-      compute_neel(i,j,rsq,eij,fmi,spi,spj);
+      if (rsq <= local_cut2) {
+        compute_neel(ii,j,rsq,eij,fmi,spi,spj);
+      }
     }
   }
-
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/STUBS/mpi.c b/src/STUBS/mpi.c
index 053108fee8821414e30e278d467517cc4eff0f0c..af7a489bb118acbe0f0cb80e635fb4a7e251d94a 100644
--- a/src/STUBS/mpi.c
+++ b/src/STUBS/mpi.c
@@ -148,12 +148,20 @@ int MPI_Finalize()
 
 double MPI_Wtime()
 {
+#if defined(_MSC_VER)
+  double t;
+
+  t = GetTickCount();
+  t /= 1000.0;
+  return t;
+#else
   double time;
   struct timeval tv;
 
   gettimeofday(&tv,NULL);
   time = 1.0 * tv.tv_sec + 1.0e-6 * tv.tv_usec;
   return time;
+#endif
 }
 
 /* ---------------------------------------------------------------------- */
@@ -200,7 +208,11 @@ int MPI_Request_free(MPI_Request *request)
 int MPI_Send(const void *buf, int count, MPI_Datatype datatype,
              int dest, int tag, MPI_Comm comm)
 {
-  printf("MPI Stub WARNING: Should not send message to self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not send message to self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -209,7 +221,11 @@ int MPI_Send(const void *buf, int count, MPI_Datatype datatype,
 int MPI_Isend(const void *buf, int count, MPI_Datatype datatype,
               int source, int tag, MPI_Comm comm, MPI_Request *request)
 {
-  printf("MPI Stub WARNING: Should not send message to self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not send message to self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -218,7 +234,11 @@ int MPI_Isend(const void *buf, int count, MPI_Datatype datatype,
 int MPI_Rsend(const void *buf, int count, MPI_Datatype datatype,
               int dest, int tag, MPI_Comm comm)
 {
-  printf("MPI Stub WARNING: Should not rsend message to self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not rsend message to self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -227,7 +247,11 @@ int MPI_Rsend(const void *buf, int count, MPI_Datatype datatype,
 int MPI_Recv(void *buf, int count, MPI_Datatype datatype,
              int source, int tag, MPI_Comm comm, MPI_Status *status)
 {
-  printf("MPI Stub WARNING: Should not recv message from self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not recv message from self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -236,7 +260,11 @@ int MPI_Recv(void *buf, int count, MPI_Datatype datatype,
 int MPI_Irecv(void *buf, int count, MPI_Datatype datatype,
               int source, int tag, MPI_Comm comm, MPI_Request *request)
 {
-  printf("MPI Stub WARNING: Should not recv message from self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not recv message from self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -244,7 +272,11 @@ int MPI_Irecv(void *buf, int count, MPI_Datatype datatype,
 
 int MPI_Wait(MPI_Request *request, MPI_Status *status)
 {
-  printf("MPI Stub WARNING: Should not wait on message from self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not wait on message from self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -252,7 +284,11 @@ int MPI_Wait(MPI_Request *request, MPI_Status *status)
 
 int MPI_Waitall(int n, MPI_Request *request, MPI_Status *status)
 {
-  printf("MPI Stub WARNING: Should not wait on message from self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not wait on message from self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -261,7 +297,11 @@ int MPI_Waitall(int n, MPI_Request *request, MPI_Status *status)
 int MPI_Waitany(int count, MPI_Request *request, int *index,
                 MPI_Status *status)
 {
-  printf("MPI Stub WARNING: Should not wait on message from self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not wait on message from self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -272,7 +312,11 @@ int MPI_Sendrecv(const void *sbuf, int scount, MPI_Datatype sdatatype,
                  MPI_Datatype rdatatype, int source, int rtag,
                  MPI_Comm comm, MPI_Status *status)
 {
-  printf("MPI Stub WARNING: Should not send message to self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not send message to self\n");
+    ++callcount;
+  }
   return 0;
 }
 
@@ -280,7 +324,11 @@ int MPI_Sendrecv(const void *sbuf, int scount, MPI_Datatype sdatatype,
 
 int MPI_Get_count(MPI_Status *status, MPI_Datatype datatype, int *count)
 {
-  printf("MPI Stub WARNING: Should not get count of message to self\n");
+  static int callcount=0;
+  if (callcount == 0) {
+    printf("MPI Stub WARNING: Should not get count of message to self\n");
+    ++callcount;
+  }
   return 0;
 }
 
diff --git a/src/USER-ADIOS/Install.sh b/src/USER-ADIOS/Install.sh
new file mode 100644
index 0000000000000000000000000000000000000000..434df14f608705be3138df5542df369e028a9729
--- /dev/null
+++ b/src/USER-ADIOS/Install.sh
@@ -0,0 +1,93 @@
+# Install/unInstall package files in LAMMPS
+# mode = 0/1/2 for uninstall/install/update
+
+mode=$1
+
+# arg1 = file, arg2 = file it depends on
+
+action () {
+  if (test $mode = 0) then
+    rm -f ../$1
+  elif (! cmp -s $1 ../$1) then
+    if (test -z "$2" || test -e ../$2) then
+      cp $1 ..
+      if (test $mode = 2) then
+        echo "  updating src/$1"
+      fi
+    fi
+  elif (test -n "$2") then
+    if (test ! -e ../$2) then
+      rm -f ../$1
+    fi
+  fi
+}
+
+for file in *.cpp *.h; do
+  action $file
+done
+
+# edit 2 Makefile.package files to include/exclude package info
+
+if (test $1 = 1) then
+
+  CONFIGSCRIPT=none
+  if ( test `which adios2-config 2>> /dev/null` ) then
+    CONFIGSCRIPT=adios2-config
+  elif ( ! test -z "$ADIOS2_DIR" ) then
+    if ( test `which $ADIOS2_DIR/bin/adios2-config` ) then
+      CONFIGSCRIPT=$ADIOS2_DIR/bin/adios2-config
+    else
+      echo "ERROR: ADIOS2_DIR environment variable is set but" \
+           "\$ADIOS2_DIR/bin/adios2-config does not exist"
+    fi
+  elif ( ! test -z "$ADIOS_DIR" ) then
+    if ( test `which $ADIOS_DIR/bin/adios2-config` ) then
+      CONFIGSCRIPT=$ADIOS_DIR/bin/adios2-config
+    else
+      echo "ERROR: ADIOS_DIR environment variable is set but" \
+           "\$ADIOS_DIR/bin/adios2-config does not exist"
+    fi
+  else
+    echo "ERROR: ADIOS2_DIR environment variable must point to ADIOS 2.x" \
+         "installation directory or adios2-config should be in PATH"
+  fi
+
+  if [ "$CONFIGSCRIPT" != "none" ]; then 
+    ADIOS2_INC=`$CONFIGSCRIPT --cxx-flags`
+    ADIOS2_LIB=`$CONFIGSCRIPT --cxx-libs`
+
+    echo "adios_SYSINC=${ADIOS2_INC}
+adios_SYSLIB=${ADIOS2_LIB}
+" > Makefile.lammps
+
+
+    if (test -e ../Makefile.package) then
+      sed -i -e 's/[^ \t]*adios[^ \t]* //g' ../Makefile.package
+      sed -i -e '/^adios_SYS.*$/d' ../Makefile.package
+      sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(adios_SYSINC) |' ../Makefile.package
+      sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(adios_SYSLIB) |' ../Makefile.package
+    fi
+
+    if (test -e ../Makefile.package.settings) then
+      sed -i -e '/^include.*ADIOS.*$/d' ../Makefile.package.settings
+      # multiline form needed for BSD sed on Macs
+      sed -i -e '4 i \
+include ../USER-ADIOS/Makefile.lammps
+' ../Makefile.package.settings
+    fi
+  fi
+
+elif (test $1 = 0) then
+
+  if (test -e ../Makefile.package) then
+    sed -i -e 's/[^ \t]*adios[^ \t]* //g' ../Makefile.package
+    sed -i -e '/^adios_SYS.*$/d' ../Makefile.package
+  fi
+
+  if (test -e ../Makefile.package.settings) then
+    sed -i -e '/^include.*ADIOS.*$/d' ../Makefile.package.settings
+  fi
+
+  rm -f Makefile.lammps
+
+fi
diff --git a/src/USER-ADIOS/README b/src/USER-ADIOS/README
new file mode 100644
index 0000000000000000000000000000000000000000..49717a741f51916c3492e09d73c69d1db66c43c6
--- /dev/null
+++ b/src/USER-ADIOS/README
@@ -0,0 +1,16 @@
+This package provides the adios dump and restart styles.
+
+See the doc page for the "dump adios" and "restart adios" commands. 
+These styles require having ADIOS 2.x itself installed on your system.
+
+Configure LAMMPS with CMake 
+ a. set the environment variable 
+        ADIOS2_DIR 
+    to the ADIOS 2.x installation path
+ b. use the cmake option 
+       -D PKG_USER-ADIOS=yes 
+
+The person who created this package is Norbert Podhorszki (Oak Ridge National Laboratory); 
+If you need help, please submit a ticket at the OLCF ticket user support mentioning his name in the ticket.
+https://www.olcf.ornl.gov/support/submit-ticket
+
diff --git a/src/USER-ADIOS/dump_atom_adios.cpp b/src/USER-ADIOS/dump_atom_adios.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..55d6c5fbf9e36f2f2c6bfac350ca93c7af4098b0
--- /dev/null
+++ b/src/USER-ADIOS/dump_atom_adios.cpp
@@ -0,0 +1,339 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Norbert Podhorszki (ORNL)
+------------------------------------------------------------------------- */
+
+#include "dump_atom_adios.h"
+#include "atom.h"
+#include "domain.h"
+#include "error.h"
+#include "group.h"
+#include "memory.h"
+#include "universe.h"
+#include "update.h"
+#include <cstring>
+
+#include "adios2.h"
+
+using namespace LAMMPS_NS;
+
+#define MAX_TEXT_HEADER_SIZE 4096
+#define DUMP_BUF_CHUNK_SIZE 16384
+#define DUMP_BUF_INCREMENT_SIZE 4096
+
+namespace LAMMPS_NS
+{
+class DumpAtomADIOSInternal
+{
+
+public:
+    DumpAtomADIOSInternal(){};
+    ~DumpAtomADIOSInternal() = default;
+
+    // name of adios group, referrable in adios2_config.xml
+    const std::string ioName = "atom";
+    adios2::ADIOS *ad = nullptr; // adios object
+    adios2::IO io;     // adios group of variables and attributes in this dump
+    adios2::Engine fh; // adios file/stream handle object
+    // one ADIOS output variable we need to change every step
+    adios2::Variable<double> varAtoms;
+};
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpAtomADIOS::DumpAtomADIOS(LAMMPS *lmp, int narg, char **arg)
+: DumpAtom(lmp, narg, arg)
+{
+    internal = new DumpAtomADIOSInternal();
+    internal->ad =
+        new adios2::ADIOS("adios2_config.xml", world, adios2::DebugON);
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpAtomADIOS::~DumpAtomADIOS()
+{
+    if (internal->fh) {
+        internal->fh.Close();
+    }
+    delete internal->ad;
+    delete internal;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpAtomADIOS::openfile()
+{
+    if (multifile) {
+        // if one file per timestep, replace '*' with current timestep
+        char *filestar = strdup(filename);
+        char *filecurrent = new char[strlen(filestar) + 16];
+        char *ptr = strchr(filestar, '*');
+        *ptr = '\0';
+        if (padflag == 0)
+            snprintf(filecurrent, sizeof(filecurrent), "%s" BIGINT_FORMAT "%s",
+                     filestar, update->ntimestep, ptr + 1);
+        else {
+            char bif[8], pad[16];
+            strcpy(bif, BIGINT_FORMAT);
+            snprintf(pad, sizeof(pad), "%%s%%0%d%s%%s", padflag, &bif[1]);
+            snprintf(filecurrent, sizeof(filecurrent), pad, filestar,
+                     update->ntimestep, ptr + 1);
+        }
+        internal->fh =
+            internal->io.Open(filecurrent, adios2::Mode::Write, world);
+        if (!internal->fh) {
+            char str[128];
+            snprintf(str, sizeof(str), "Cannot open dump file %s", filecurrent);
+            error->one(FLERR, str);
+        }
+        free(filestar);
+        delete[] filecurrent;
+    } else {
+        if (!singlefile_opened) {
+            internal->fh =
+                internal->io.Open(filename, adios2::Mode::Write, world);
+            if (!internal->fh) {
+                char str[128];
+                snprintf(str, sizeof(str), "Cannot open dump file %s",
+                         filename);
+                error->one(FLERR, str);
+            }
+            singlefile_opened = 1;
+        }
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpAtomADIOS::write()
+{
+    if (domain->triclinic == 0) {
+        boxxlo = domain->boxlo[0];
+        boxxhi = domain->boxhi[0];
+        boxylo = domain->boxlo[1];
+        boxyhi = domain->boxhi[1];
+        boxzlo = domain->boxlo[2];
+        boxzhi = domain->boxhi[2];
+    } else {
+        boxxlo = domain->boxlo_bound[0];
+        boxxhi = domain->boxhi_bound[0];
+        boxylo = domain->boxlo_bound[1];
+        boxyhi = domain->boxhi_bound[1];
+        boxzlo = domain->boxlo_bound[2];
+        boxzhi = domain->boxhi_bound[2];
+        boxxy = domain->xy;
+        boxxz = domain->xz;
+        boxyz = domain->yz;
+    }
+
+    // nme = # of dump lines this proc contributes to dump
+
+    nme = count();
+
+    // ntotal = total # of atoms in snapshot
+    // atomOffset = sum of # of atoms up to this proc (exclusive prefix sum)
+
+    bigint bnme = nme;
+    MPI_Allreduce(&bnme, &ntotal, 1, MPI_LMP_BIGINT, MPI_SUM, world);
+
+    bigint atomOffset; // sum of all atoms on processes 0..me-1
+    MPI_Scan(&bnme, &atomOffset, 1, MPI_LMP_BIGINT, MPI_SUM, world);
+    atomOffset -= nme; // exclusive prefix sum needed
+
+    // Now we know the global size and the local subset size and offset
+    // of the atoms table
+    size_t nAtomsGlobal = static_cast<size_t>(ntotal);
+    size_t startRow = static_cast<size_t>(atomOffset);
+    size_t nAtomsLocal = static_cast<size_t>(nme);
+    size_t nColumns = static_cast<size_t>(size_one);
+    internal->varAtoms.SetShape({nAtomsGlobal, nColumns});
+    internal->varAtoms.SetSelection({{startRow, 0}, {nAtomsLocal, nColumns}});
+
+    // insure buf is sized for packing
+    // adios does not limit per-process data size so nme*size_one is not
+    // constrained to int
+    // if sorting on IDs also request ID list from pack()
+    // sort buf as needed
+
+    if (nme > maxbuf) {
+        maxbuf = nme;
+        memory->destroy(buf);
+        memory->create(buf, (maxbuf * size_one), "dump:buf");
+    }
+    if (sort_flag && sortcol == 0 && nme > maxids) {
+        maxids = nme;
+        memory->destroy(ids);
+        memory->create(ids, maxids, "dump:ids");
+    }
+
+    if (sort_flag && sortcol == 0)
+        pack(ids);
+    else
+        pack(NULL);
+    if (sort_flag)
+        sort();
+
+    openfile();
+    internal->fh.BeginStep();
+    // write info on data as scalars (by me==0)
+    if (me == 0) {
+        internal->fh.Put<uint64_t>("ntimestep", update->ntimestep);
+        internal->fh.Put<int>("nprocs", nprocs);
+
+        internal->fh.Put<double>("boxxlo", boxxlo);
+        internal->fh.Put<double>("boxxhi", boxxhi);
+        internal->fh.Put<double>("boxylo", boxylo);
+        internal->fh.Put<double>("boxyhi", boxyhi);
+        internal->fh.Put<double>("boxzlo", boxzlo);
+        internal->fh.Put<double>("boxzhi", boxzhi);
+
+        if (domain->triclinic) {
+            internal->fh.Put<double>("boxxy", boxxy);
+            internal->fh.Put<double>("boxxz", boxxz);
+            internal->fh.Put<double>("boxyz", boxyz);
+        }
+    }
+    // Everyone needs to write scalar variables that are used as dimensions and
+    // offsets of arrays
+    internal->fh.Put<uint64_t>("natoms", ntotal);
+    internal->fh.Put<int>("ncolumns", size_one);
+    internal->fh.Put<uint64_t>("nme", bnme);
+    internal->fh.Put<uint64_t>("offset", atomOffset);
+    // now write the atoms
+    internal->fh.Put<double>(internal->varAtoms, buf);
+    internal->fh.EndStep(); // I/O will happen now...
+
+    if (multifile) {
+        internal->fh.Close();
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpAtomADIOS::init_style()
+{
+    if (image_flag == 0)
+        size_one = 5;
+    else
+        size_one = 8;
+
+    // setup boundary string
+
+    domain->boundary_string(boundstr);
+
+    // remove % from filename since ADIOS always writes a global file with
+    // data/metadata
+    int len = strlen(filename);
+    char *ptr = strchr(filename, '%');
+    if (ptr) {
+        *ptr = '\0';
+        char *s = new char[len - 1];
+        snprintf(s, sizeof(s), "%s%s", filename, ptr + 1);
+        strncpy(filename, s, len);
+    }
+
+    // setup column string
+
+    if (scale_flag == 0 && image_flag == 0)
+        columns = (char *)"id type x y z";
+    else if (scale_flag == 0 && image_flag == 1)
+        columns = (char *)"id type x y z ix iy iz";
+    else if (scale_flag == 1 && image_flag == 0)
+        columns = (char *)"id type xs ys zs";
+    else if (scale_flag == 1 && image_flag == 1)
+        columns = (char *)"id type xs ys zs ix iy iz";
+
+    // setup function ptrs
+
+    if (scale_flag == 1 && image_flag == 0 && domain->triclinic == 0)
+        pack_choice = &DumpAtomADIOS::pack_scale_noimage;
+    else if (scale_flag == 1 && image_flag == 1 && domain->triclinic == 0)
+        pack_choice = &DumpAtomADIOS::pack_scale_image;
+    else if (scale_flag == 1 && image_flag == 0 && domain->triclinic == 1)
+        pack_choice = &DumpAtomADIOS::pack_scale_noimage_triclinic;
+    else if (scale_flag == 1 && image_flag == 1 && domain->triclinic == 1)
+        pack_choice = &DumpAtomADIOS::pack_scale_image_triclinic;
+    else if (scale_flag == 0 && image_flag == 0)
+        pack_choice = &DumpAtomADIOS::pack_noscale_noimage;
+    else if (scale_flag == 0 && image_flag == 1)
+        pack_choice = &DumpAtomADIOS::pack_noscale_image;
+
+    /* Define the group of variables for the atom style here since it's a fixed
+     * set */
+    internal->io = internal->ad->DeclareIO(internal->ioName);
+    if (!internal->io.InConfigFile()) {
+        // if not defined by user, we can change the default settings
+        // BPFile is the default writer
+        internal->io.SetEngine("BPFile");
+        int num_aggregators = multiproc;
+        if (num_aggregators == 0)
+            num_aggregators = 1;
+        char nstreams[128];
+        snprintf(nstreams, sizeof(nstreams), "%d", num_aggregators);
+        internal->io.SetParameters({{"substreams", nstreams}});
+        if (me == 0 && screen)
+            fprintf(
+                screen,
+                "ADIOS method for %s is n-to-m (aggregation with %s writers)\n",
+                filename, nstreams);
+    }
+
+    internal->io.DefineVariable<uint64_t>("ntimestep");
+    internal->io.DefineVariable<uint64_t>("natoms");
+
+    internal->io.DefineVariable<int>("nprocs");
+    internal->io.DefineVariable<int>("ncolumns");
+
+    internal->io.DefineVariable<double>("boxxlo");
+    internal->io.DefineVariable<double>("boxxhi");
+    internal->io.DefineVariable<double>("boxylo");
+    internal->io.DefineVariable<double>("boxyhi");
+    internal->io.DefineVariable<double>("boxzlo");
+    internal->io.DefineVariable<double>("boxzhi");
+
+    internal->io.DefineVariable<double>("boxxy");
+    internal->io.DefineVariable<double>("boxxz");
+    internal->io.DefineVariable<double>("boxyz");
+
+    internal->io.DefineAttribute<int>("triclinic", domain->triclinic);
+    internal->io.DefineAttribute<int>("scaled", scale_flag);
+    internal->io.DefineAttribute<int>("image", image_flag);
+
+    int *boundaryptr = reinterpret_cast<int *>(domain->boundary);
+    internal->io.DefineAttribute<int>("boundary", boundaryptr, 6);
+
+    internal->io.DefineAttribute<std::string>("columns", columns);
+    internal->io.DefineAttribute<std::string>("boundarystr", boundstr);
+    internal->io.DefineAttribute<std::string>("LAMMPS/dump_style", "atom");
+    internal->io.DefineAttribute<std::string>("LAMMPS/version",
+                                              universe->version);
+    internal->io.DefineAttribute<std::string>("LAMMPS/num_ver",
+                                              universe->num_ver);
+
+    internal->io.DefineVariable<uint64_t>(
+        "nme", {adios2::LocalValueDim}); // local dimension variable
+    internal->io.DefineVariable<uint64_t>(
+        "offset", {adios2::LocalValueDim}); // local dimension variable
+
+    // atom table size is not known at the moment
+    // it will be correctly defined at the moment of write
+    size_t UnknownSizeYet = 1;
+    size_t nColumns = static_cast<size_t>(size_one);
+    internal->varAtoms = internal->io.DefineVariable<double>(
+        "atoms", {UnknownSizeYet, nColumns}, {UnknownSizeYet, 0},
+        {UnknownSizeYet, nColumns});
+}
diff --git a/src/USER-ADIOS/dump_atom_adios.h b/src/USER-ADIOS/dump_atom_adios.h
new file mode 100644
index 0000000000000000000000000000000000000000..dc6bc519bbca73c49000d149f617afbd9eefa89b
--- /dev/null
+++ b/src/USER-ADIOS/dump_atom_adios.h
@@ -0,0 +1,62 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef DUMP_CLASS
+// clang-format off
+DumpStyle(atom/adios, DumpAtomADIOS)
+// clang-format on
+#else
+
+#ifndef LMP_DUMP_ATOM_ADIOS_H
+#define LMP_DUMP_ATOM_ADIOS_H
+
+#include "dump_atom.h"
+
+namespace LAMMPS_NS
+{
+
+class DumpAtomADIOSInternal;
+
+class DumpAtomADIOS : public DumpAtom
+{
+
+public:
+    DumpAtomADIOS(class LAMMPS *, int, char **);
+    virtual ~DumpAtomADIOS();
+
+protected:
+    virtual void openfile();
+    virtual void write();
+    virtual void init_style();
+
+private:
+    DumpAtomADIOSInternal *internal;
+};
+}
+
+#endif
+#endif
+
+    /* ERROR/WARNING messages:
+
+    E: Cannot open dump file %s
+
+    The output file for the dump command cannot be opened.  Check that the
+    path and name are correct.
+
+    E: Too much per-proc info for dump
+
+    Number of local atoms times number of columns must fit in a 32-bit
+    integer for dump.
+
+    */
diff --git a/src/USER-ADIOS/dump_custom_adios.cpp b/src/USER-ADIOS/dump_custom_adios.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..67f3deeb645f1c4eb00dd48757d89dc8cbe805ae
--- /dev/null
+++ b/src/USER-ADIOS/dump_custom_adios.cpp
@@ -0,0 +1,435 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Norbert Podhorszki (ORNL)
+------------------------------------------------------------------------- */
+
+#include "dump_custom_adios.h"
+#include "atom.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
+#include "group.h"
+#include "input.h"
+#include "memory.h"
+#include "modify.h"
+#include "region.h"
+#include "universe.h"
+#include "update.h"
+#include "variable.h"
+#include <cmath>
+#include <cstring>
+
+#include "adios2.h"
+
+using namespace LAMMPS_NS;
+
+#define MAX_TEXT_HEADER_SIZE 4096
+#define DUMP_BUF_CHUNK_SIZE 16384
+#define DUMP_BUF_INCREMENT_SIZE 4096
+
+enum {
+    ID,
+    MOL,
+    TYPE,
+    ELEMENT,
+    MASS,
+    X,
+    Y,
+    Z,
+    XS,
+    YS,
+    ZS,
+    XSTRI,
+    YSTRI,
+    ZSTRI,
+    XU,
+    YU,
+    ZU,
+    XUTRI,
+    YUTRI,
+    ZUTRI,
+    XSU,
+    YSU,
+    ZSU,
+    XSUTRI,
+    YSUTRI,
+    ZSUTRI,
+    IX,
+    IY,
+    IZ,
+    VX,
+    VY,
+    VZ,
+    FX,
+    FY,
+    FZ,
+    Q,
+    MUX,
+    MUY,
+    MUZ,
+    MU,
+    RADIUS,
+    DIAMETER,
+    OMEGAX,
+    OMEGAY,
+    OMEGAZ,
+    ANGMOMX,
+    ANGMOMY,
+    ANGMOMZ,
+    TQX,
+    TQY,
+    TQZ,
+    SPIN,
+    ERADIUS,
+    ERVEL,
+    ERFORCE,
+    COMPUTE,
+    FIX,
+    VARIABLE
+};
+enum { LT, LE, GT, GE, EQ, NEQ };
+enum { INT, DOUBLE, STRING, BIGINT }; // same as in DumpCustom
+
+namespace LAMMPS_NS
+{
+class DumpCustomADIOSInternal
+{
+
+public:
+    DumpCustomADIOSInternal(){};
+    ~DumpCustomADIOSInternal() = default;
+
+    // name of adios group, referrable in adios2_config.xml
+    const std::string ioName = "custom";
+    adios2::ADIOS *ad = nullptr; // adios object
+    adios2::IO io;     // adios group of variables and attributes in this dump
+    adios2::Engine fh; // adios file/stream handle object
+    // one ADIOS output variable we need to change every step
+    adios2::Variable<double> varAtoms;
+    // list of column names for the atom table
+    // (individual list of 'columns' string)
+    std::vector<std::string> columnNames;
+};
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpCustomADIOS::DumpCustomADIOS(LAMMPS *lmp, int narg, char **arg)
+: DumpCustom(lmp, narg, arg)
+{
+    internal = new DumpCustomADIOSInternal();
+    internal->ad =
+        new adios2::ADIOS("adios2_config.xml", world, adios2::DebugON);
+
+    // if (screen) fprintf(screen, "DumpCustomADIOS constructor: nvariable=%d
+    // id_variable=%p, variables=%p, nfield=%d, earg=%p\n", nvariable,
+    // id_variable, variable, nfield, earg);
+    internal->columnNames.reserve(nfield);
+    for (int i = 0; i < nfield; ++i) {
+        internal->columnNames.push_back(earg[i]);
+        // if (screen) fprintf(screen, "earg[%d] = '%s'\n", i, earg[i]);
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+DumpCustomADIOS::~DumpCustomADIOS()
+{
+    internal->columnNames.clear();
+    if (internal->fh) {
+        internal->fh.Close();
+    }
+    delete internal->ad;
+    delete internal;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpCustomADIOS::openfile()
+{
+    if (multifile) {
+        // if one file per timestep, replace '*' with current timestep
+        char *filestar = strdup(filename);
+        char *filecurrent = new char[strlen(filestar) + 16];
+        char *ptr = strchr(filestar, '*');
+        *ptr = '\0';
+        if (padflag == 0)
+            sprintf(filecurrent, "%s" BIGINT_FORMAT "%s", filestar,
+                    update->ntimestep, ptr + 1);
+        else {
+            char bif[8], pad[16];
+            strcpy(bif, BIGINT_FORMAT);
+            sprintf(pad, "%%s%%0%d%s%%s", padflag, &bif[1]);
+            sprintf(filecurrent, pad, filestar, update->ntimestep, ptr + 1);
+        }
+        internal->fh =
+            internal->io.Open(filecurrent, adios2::Mode::Write, world);
+        if (!internal->fh) {
+            char str[128];
+            sprintf(str, "Cannot open dump file %s", filecurrent);
+            error->one(FLERR, str);
+        }
+        free(filestar);
+        delete[] filecurrent;
+    } else {
+        if (!singlefile_opened) {
+            internal->fh =
+                internal->io.Open(filename, adios2::Mode::Write, world);
+            if (!internal->fh) {
+                char str[128];
+                sprintf(str, "Cannot open dump file %s", filename);
+                error->one(FLERR, str);
+            }
+            singlefile_opened = 1;
+        }
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpCustomADIOS::write()
+{
+    if (domain->triclinic == 0) {
+        boxxlo = domain->boxlo[0];
+        boxxhi = domain->boxhi[0];
+        boxylo = domain->boxlo[1];
+        boxyhi = domain->boxhi[1];
+        boxzlo = domain->boxlo[2];
+        boxzhi = domain->boxhi[2];
+    } else {
+        boxxlo = domain->boxlo_bound[0];
+        boxxhi = domain->boxhi_bound[0];
+        boxylo = domain->boxlo_bound[1];
+        boxyhi = domain->boxhi_bound[1];
+        boxzlo = domain->boxlo_bound[2];
+        boxzhi = domain->boxhi_bound[2];
+        boxxy = domain->xy;
+        boxxz = domain->xz;
+        boxyz = domain->yz;
+    }
+
+    // nme = # of dump lines this proc contributes to dump
+
+    nme = count();
+
+    // ntotal = total # of atoms in snapshot
+    // atomOffset = sum of # of atoms up to this proc (exclusive prefix sum)
+
+    bigint bnme = nme;
+    MPI_Allreduce(&bnme, &ntotal, 1, MPI_LMP_BIGINT, MPI_SUM, world);
+
+    bigint atomOffset; // sum of all atoms on processes 0..me-1
+    MPI_Scan(&bnme, &atomOffset, 1, MPI_LMP_BIGINT, MPI_SUM, world);
+    atomOffset -= nme; // exclusive prefix sum needed
+
+    // Now we know the global size and the local subset size and offset
+    // of the atoms table
+    size_t nAtomsGlobal = static_cast<size_t>(ntotal);
+    size_t startRow = static_cast<size_t>(atomOffset);
+    size_t nAtomsLocal = static_cast<size_t>(nme);
+    size_t nColumns = static_cast<size_t>(size_one);
+    internal->varAtoms.SetShape({nAtomsGlobal, nColumns});
+    internal->varAtoms.SetSelection({{startRow, 0}, {nAtomsLocal, nColumns}});
+
+    // insure filewriter proc can receive everyone's info
+    // limit nmax*size_one to int since used as arg in MPI_Rsend() below
+    // pack my data into buf
+    // if sorting on IDs also request ID list from pack()
+    // sort buf as needed
+
+    if (nme > maxbuf) {
+        if ((bigint)nme * size_one > MAXSMALLINT)
+            error->all(FLERR, "Too much per-proc info for dump");
+        maxbuf = nme;
+        memory->destroy(buf);
+        memory->create(buf, (maxbuf * size_one), "dump:buf");
+    }
+    if (sort_flag && sortcol == 0 && nme > maxids) {
+        maxids = nme;
+        memory->destroy(ids);
+        memory->create(ids, maxids, "dump:ids");
+    }
+
+    if (sort_flag && sortcol == 0)
+        pack(ids);
+    else
+        pack(NULL);
+    if (sort_flag)
+        sort();
+
+    openfile();
+    internal->fh.BeginStep();
+    // write info on data as scalars (by me==0)
+    if (me == 0) {
+        internal->fh.Put<uint64_t>("ntimestep", update->ntimestep);
+        internal->fh.Put<int>("nprocs", nprocs);
+
+        internal->fh.Put<double>("boxxlo", boxxlo);
+        internal->fh.Put<double>("boxxhi", boxxhi);
+        internal->fh.Put<double>("boxylo", boxylo);
+        internal->fh.Put<double>("boxyhi", boxyhi);
+        internal->fh.Put<double>("boxzlo", boxzlo);
+        internal->fh.Put<double>("boxzhi", boxzhi);
+
+        if (domain->triclinic) {
+            internal->fh.Put<double>("boxxy", boxxy);
+            internal->fh.Put<double>("boxxz", boxxz);
+            internal->fh.Put<double>("boxyz", boxyz);
+        }
+    }
+    // Everyone needs to write scalar variables that are used as dimensions and
+    // offsets of arrays
+    internal->fh.Put<uint64_t>("natoms", ntotal);
+    internal->fh.Put<int>("ncolumns", size_one);
+    internal->fh.Put<uint64_t>("nme", bnme);
+    internal->fh.Put<uint64_t>("offset", atomOffset);
+    // now write the atoms
+    internal->fh.Put<double>("atoms", buf);
+    internal->fh.EndStep(); // I/O will happen now...
+
+    if (multifile) {
+        internal->fh.Close();
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpCustomADIOS::init_style()
+{
+
+    // setup boundary string
+
+    domain->boundary_string(boundstr);
+
+    // remove % from filename since ADIOS always writes a global file with
+    // data/metadata
+    int len = strlen(filename);
+    char *ptr = strchr(filename, '%');
+    if (ptr) {
+        *ptr = '\0';
+        char *s = new char[len - 1];
+        sprintf(s, "%s%s", filename, ptr + 1);
+        strncpy(filename, s, len);
+    }
+
+    /* The next four loops are copied from dump_custom_mpiio, but nothing is
+     * done with them.
+     * It is unclear why we need them here.
+     * For metadata, variable[] will be written out as an ADIOS attribute if
+     * nvariable>0
+     */
+    // find current ptr for each compute,fix,variable
+    // check that fix frequency is acceptable
+    int icompute;
+    for (int i = 0; i < ncompute; i++) {
+        icompute = modify->find_compute(id_compute[i]);
+        if (icompute < 0)
+            error->all(FLERR, "Could not find dump custom compute ID");
+        compute[i] = modify->compute[icompute];
+    }
+
+    int ifix;
+    for (int i = 0; i < nfix; i++) {
+        ifix = modify->find_fix(id_fix[i]);
+        if (ifix < 0)
+            error->all(FLERR, "Could not find dump custom fix ID");
+        fix[i] = modify->fix[ifix];
+        if (nevery % modify->fix[ifix]->peratom_freq)
+            error->all(FLERR,
+                       "Dump custom and fix not computed at compatible times");
+    }
+
+    int ivariable;
+    for (int i = 0; i < nvariable; i++) {
+        ivariable = input->variable->find(id_variable[i]);
+        if (ivariable < 0)
+            error->all(FLERR, "Could not find dump custom variable name");
+        variable[i] = ivariable;
+    }
+
+    // set index and check validity of region
+    if (iregion >= 0) {
+        iregion = domain->find_region(idregion);
+        if (iregion == -1)
+            error->all(FLERR, "Region ID for dump custom does not exist");
+    }
+
+    /* Define the group of variables for the atom style here since it's a fixed
+     * set */
+    internal->io = internal->ad->DeclareIO(internal->ioName);
+    if (!internal->io.InConfigFile()) {
+        // if not defined by user, we can change the default settings
+        // BPFile is the default writer
+        internal->io.SetEngine("BPFile");
+        int num_aggregators = multiproc;
+        if (num_aggregators == 0)
+            num_aggregators = 1;
+        char nstreams[128];
+        sprintf(nstreams, "%d", num_aggregators);
+        internal->io.SetParameters({{"substreams", nstreams}});
+        if (me == 0 && screen)
+            fprintf(
+                screen,
+                "ADIOS method for %s is n-to-m (aggregation with %s writers)\n",
+                filename, nstreams);
+    }
+
+    internal->io.DefineVariable<uint64_t>("ntimestep");
+    internal->io.DefineVariable<uint64_t>("natoms");
+
+    internal->io.DefineVariable<int>("nprocs");
+    internal->io.DefineVariable<int>("ncolumns");
+
+    internal->io.DefineVariable<double>("boxxlo");
+    internal->io.DefineVariable<double>("boxxhi");
+    internal->io.DefineVariable<double>("boxylo");
+    internal->io.DefineVariable<double>("boxyhi");
+    internal->io.DefineVariable<double>("boxzlo");
+    internal->io.DefineVariable<double>("boxzhi");
+
+    internal->io.DefineVariable<double>("boxxy");
+    internal->io.DefineVariable<double>("boxxz");
+    internal->io.DefineVariable<double>("boxyz");
+
+    internal->io.DefineAttribute<int>("triclinic", domain->triclinic);
+
+    int *boundaryptr = reinterpret_cast<int *>(domain->boundary);
+    internal->io.DefineAttribute<int>("boundary", boundaryptr, 6);
+
+    size_t nColumns = static_cast<size_t>(size_one);
+    internal->io.DefineAttribute<std::string>(
+        "columns", internal->columnNames.data(), nColumns);
+    internal->io.DefineAttribute<std::string>("columnstr", columns);
+    internal->io.DefineAttribute<std::string>("boundarystr", boundstr);
+    internal->io.DefineAttribute<std::string>("LAMMPS/dump_style", "atom");
+    internal->io.DefineAttribute<std::string>("LAMMPS/version",
+                                              universe->version);
+    internal->io.DefineAttribute<std::string>("LAMMPS/num_ver",
+                                              universe->num_ver);
+
+    internal->io.DefineVariable<uint64_t>(
+        "nme", {adios2::LocalValueDim}); // local dimension variable
+    internal->io.DefineVariable<uint64_t>(
+        "offset", {adios2::LocalValueDim}); // local dimension variable
+
+    // atom table size is not known at the moment
+    // it will be correctly defined at the moment of write
+    size_t UnknownSizeYet = 1;
+    internal->varAtoms = internal->io.DefineVariable<double>(
+        "atoms", {UnknownSizeYet, nColumns}, {UnknownSizeYet, 0},
+        {UnknownSizeYet, nColumns});
+}
diff --git a/src/USER-ADIOS/dump_custom_adios.h b/src/USER-ADIOS/dump_custom_adios.h
new file mode 100644
index 0000000000000000000000000000000000000000..d5d41eb8c72daac3b1f9f96d691d2b80fdbcdfda
--- /dev/null
+++ b/src/USER-ADIOS/dump_custom_adios.h
@@ -0,0 +1,87 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef DUMP_CLASS
+// clang-format off
+DumpStyle(custom/adios, DumpCustomADIOS)
+// clang-format on
+#else
+
+#ifndef LMP_DUMP_CUSTOM_ADIOS_H
+#define LMP_DUMP_CUSTOM_ADIOS_H
+
+#include "dump_custom.h"
+
+namespace LAMMPS_NS
+{
+
+class DumpCustomADIOSInternal;
+
+class DumpCustomADIOS : public DumpCustom
+{
+public:
+    DumpCustomADIOS(class LAMMPS *, int, char **);
+    virtual ~DumpCustomADIOS();
+
+protected:
+    virtual void openfile();
+    virtual void write();
+    virtual void init_style();
+
+private:
+    DumpCustomADIOSInternal *internal;
+};
+}
+
+#endif
+#endif
+
+    /* ERROR/WARNING messages:
+
+    E: Cannot open dump file %s
+
+    The output file for the dump command cannot be opened.  Check that the
+    path and name are correct.
+
+    E: Too much per-proc info for dump
+
+    Number of local atoms times number of columns must fit in a 32-bit
+    integer for dump.
+
+    E: Dump_modify format string is too short
+
+    There are more fields to be dumped in a line of output than your
+    format string specifies.
+
+    E: Could not find dump custom compute ID
+
+    Self-explanatory.
+
+    E: Could not find dump custom fix ID
+
+    Self-explanatory.
+
+    E: Dump custom and fix not computed at compatible times
+
+    The fix must produce per-atom quantities on timesteps that dump custom
+    needs them.
+
+    E: Could not find dump custom variable name
+
+    Self-explanatory.
+
+    E: Region ID for dump custom does not exist
+
+    Self-explanatory.
+
+    */
diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp
index 806e4f3a14d5c77652713f9a82919aeefe790ab2..1b7bf35c28d5dc2672b2aa9f076714faa8baa7fb 100644
--- a/src/USER-AWPMD/pair_awpmd_cut.cpp
+++ b/src/USER-AWPMD/pair_awpmd_cut.cpp
@@ -108,10 +108,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
   // pvector = [KE, Pauli, ecoul, radial_restraint]
   for (int i=0; i<4; i++) pvector[i] = 0.0;
 
-  if (eflag || vflag)
-    ev_setup(eflag,vflag);
-  else
-    evflag = vflag_fdotr = 0; //??
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-BOCS/fix_bocs.cpp b/src/USER-BOCS/fix_bocs.cpp
index bf11b1d6ba545533f8441881a3ff528cae3eaa2b..7bdb8933e3d4e47893949731cd949833a65c0d48 100644
--- a/src/USER-BOCS/fix_bocs.cpp
+++ b/src/USER-BOCS/fix_bocs.cpp
@@ -697,6 +697,11 @@ int FixBocs::read_F_table( char *filename, int p_basis_type )
                                     "of %d in read_F_table",p_basis_type);
     error->all(FLERR,errmsg);
   }
+  // cleanup
+  for (i = 0; i < N_columns; ++i) {
+    free(data[i]);
+  }
+  free(data);
   return n_entries;
 }
 
diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp
index 34a25a9b5a56b78b9ed50bb98a417d971594021c..8271668e3f00e068864934eab10d66006a12e059 100644
--- a/src/USER-CGDNA/bond_oxdna_fene.cpp
+++ b/src/USER-CGDNA/bond_oxdna_fene.cpp
@@ -96,8 +96,7 @@ void BondOxdnaFene::compute(int eflag, int vflag)
   int newton_bond = force->newton_bond;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // loop over FENE bonds
 
diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
index 0b220a3275985cc7cc13154e1ee1fae99a34c99e..dfea97f0bfb2cc2d96f56e06fb7b9444df24d710 100644
--- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
@@ -62,9 +62,9 @@ PairOxdna2Coaxstk::~PairOxdna2Coaxstk()
     memory->destroy(cut_cxst_hi);
     memory->destroy(cut_cxst_lc);
     memory->destroy(cut_cxst_hc);
+    memory->destroy(cutsq_cxst_hc);
     memory->destroy(b_cxst_lo);
     memory->destroy(b_cxst_hi);
-    memory->destroy(cutsq_cxst_hc);
 
     memory->destroy(a_cxst1);
     memory->destroy(theta_cxst1_0);
@@ -144,8 +144,7 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
   double df2,df4f6t1,df4t4,df4t5,df4t6,rsint;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
diff --git a/src/USER-CGDNA/pair_oxdna2_dh.cpp b/src/USER-CGDNA/pair_oxdna2_dh.cpp
index da6e1f8bbd95be3d169f58ef1d9041cb5e01c013..b4afad12db0ea13a168aed930d0e5292f3b56855 100644
--- a/src/USER-CGDNA/pair_oxdna2_dh.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_dh.cpp
@@ -114,8 +114,7 @@ void PairOxdna2Dh::compute(int eflag, int vflag)
   int a,b,ia,ib,anum,bnum,atype,btype;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
@@ -226,8 +225,8 @@ void PairOxdna2Dh::compute(int eflag, int vflag)
 
         // increment energy and virial
 
-          if (evflag) ev_tally(a,b,nlocal,newton_pair,
-                  evdwl,0.0,fpair,delr[0],delr[1],delr[2]);
+        if (evflag) ev_tally(a,b,nlocal,newton_pair,
+                evdwl,0.0,fpair,delr[0],delr[1],delr[2]);
       }
 
     }
diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
index ef0ff161506b7beb03e9b0dedf8874dcb74b4fff..6f3fa4fa4e6e66587979a72c7ae7cc6e9803f11c 100644
--- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
@@ -62,9 +62,9 @@ PairOxdnaCoaxstk::~PairOxdnaCoaxstk()
     memory->destroy(cut_cxst_hi);
     memory->destroy(cut_cxst_lc);
     memory->destroy(cut_cxst_hc);
+    memory->destroy(cutsq_cxst_hc); 
     memory->destroy(b_cxst_lo);
     memory->destroy(b_cxst_hi);
-    memory->destroy(cutsq_cxst_hc);
 
     memory->destroy(a_cxst1);
     memory->destroy(theta_cxst1_0);
@@ -156,8 +156,7 @@ void PairOxdnaCoaxstk::compute(int eflag, int vflag)
   double df2,df4t1,df4t4,df4t5,df4t6,df5c3,rsint;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
diff --git a/src/USER-CGDNA/pair_oxdna_excv.cpp b/src/USER-CGDNA/pair_oxdna_excv.cpp
index 719a63b5f417eb20c6502d43ea26d436a3916c6e..82af5ed1c70e0545df610f368a8909c19970c5df 100644
--- a/src/USER-CGDNA/pair_oxdna_excv.cpp
+++ b/src/USER-CGDNA/pair_oxdna_excv.cpp
@@ -144,8 +144,7 @@ void PairOxdnaExcv::compute(int eflag, int vflag)
   int a,b,ia,ib,anum,bnum,atype,btype;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp
index d8305e30de43ca556c3ccddb159e50a41295470c..8cd28f10c8e6396ce30b5f89b8a0c13b669c33c0 100644
--- a/src/USER-CGDNA/pair_oxdna_hbond.cpp
+++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp
@@ -40,7 +40,7 @@ using namespace MFOxdna;
 
 // sequence-specific base-pairing strength
 // A:0 C:1 G:2 T:3, 5'- (i,j) -3'
-static const double alpha[4][4] =
+static const double alpha_hb[4][4] = 
 {{1.00000,1.00000,1.00000,0.82915},
  {1.00000,1.00000,1.15413,1.00000},
  {1.00000,1.15413,1.00000,1.00000},
@@ -71,10 +71,10 @@ PairOxdnaHbond::~PairOxdnaHbond()
     memory->destroy(cut_hb_hi);
     memory->destroy(cut_hb_lc);
     memory->destroy(cut_hb_hc);
+    memory->destroy(cutsq_hb_hc);
     memory->destroy(b_hb_lo);
     memory->destroy(b_hb_hi);
     memory->destroy(shift_hb);
-    memory->destroy(cutsq_hb_hc);
 
     memory->destroy(a_hb1);
     memory->destroy(theta_hb1_0);
@@ -161,8 +161,7 @@ void PairOxdnaHbond::compute(int eflag, int vflag)
   double df1,df4t1,df4t4,df4t2,df4t3,df4t7,df4t8;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
@@ -733,7 +732,7 @@ void PairOxdnaHbond::coeff(int narg, char **arg)
     for (int j = MAX(jlo,i); j <= jhi; j++) {
 
       epsilon_hb[i][j] = epsilon_hb_one;
-      if (seqdepflag) epsilon_hb[i][j] *= alpha[i-1][j-1];
+      if (seqdepflag) epsilon_hb[i][j] *= alpha_hb[i-1][j-1];
       a_hb[i][j] = a_hb_one;
       cut_hb_0[i][j] = cut_hb_0_one;
       cut_hb_c[i][j] = cut_hb_c_one;
@@ -744,7 +743,7 @@ void PairOxdnaHbond::coeff(int narg, char **arg)
       b_hb_lo[i][j] = b_hb_lo_one;
       b_hb_hi[i][j] = b_hb_hi_one;
       shift_hb[i][j] = shift_hb_one;
-      if (seqdepflag) shift_hb[i][j] *= alpha[i-1][j-1];
+      if (seqdepflag) shift_hb[i][j] *= alpha_hb[i-1][j-1];
 
       a_hb1[i][j] = a_hb1_one;
       theta_hb1_0[i][j] = theta_hb1_0_one;
@@ -832,7 +831,7 @@ double PairOxdnaHbond::init_one(int i, int j)
   }
 
   if (seqdepflag) {
-    epsilon_hb[j][i] = epsilon_hb[i][j] / alpha[i-1][j-1] * alpha[j-1][i-1];
+    epsilon_hb[j][i] = epsilon_hb[i][j] / alpha_hb[i-1][j-1] * alpha_hb[j-1][i-1];
   }
   else {
     epsilon_hb[j][i] = epsilon_hb[i][j];
@@ -847,7 +846,7 @@ double PairOxdnaHbond::init_one(int i, int j)
   cut_hb_lc[j][i] = cut_hb_lc[i][j];
   cut_hb_hc[j][i] = cut_hb_hc[i][j];
   if (seqdepflag) {
-    shift_hb[j][i] = shift_hb[i][j] / alpha[i-1][j-1] * alpha[j-1][i-1];
+    shift_hb[j][i] = shift_hb[i][j] / alpha_hb[i-1][j-1] * alpha_hb[j-1][i-1];
   }
   else {
     shift_hb[j][i] = shift_hb[i][j];
diff --git a/src/USER-CGDNA/pair_oxdna_stk.cpp b/src/USER-CGDNA/pair_oxdna_stk.cpp
index f713e4d27ca7c2dcc682908b7813dd4b0253b123..93c65979acdc5f4e2e07df057c1fd3d373346131 100644
--- a/src/USER-CGDNA/pair_oxdna_stk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_stk.cpp
@@ -40,7 +40,7 @@ using namespace MFOxdna;
 
 // sequence-specific stacking strength
 // A:0 C:1 G:2 T:3, 5'- (i,j) -3'
-static const double alpha[4][4] =
+static const double eta_st[4][4] =
 {{1.11960,1.00852,0.96950,0.99632},
  {1.01889,0.97804,1.02681,0.96950},
  {0.98169,1.05913,0.97804,1.00852},
@@ -154,10 +154,9 @@ void PairOxdnaStk::compute(int eflag, int vflag)
   double tptofp;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
-  // loop over stacking interaction neighours using bond topology
+  // loop over stacking interaction neighbors using bond topology
 
   for (in = 0; in < nbondlist; in++) {
 
@@ -775,7 +774,7 @@ void PairOxdnaStk::coeff(int narg, char **arg)
     for (int j = MAX(jlo,i); j <= jhi; j++) {
 
       epsilon_st[i][j] = epsilon_st_one;
-      if (seqdepflag) epsilon_st[i][j] *= alpha[i-1][j-1];
+      if (seqdepflag) epsilon_st[i][j] *= eta_st[i-1][j-1];
       a_st[i][j] = a_st_one;
       cut_st_0[i][j] = cut_st_0_one;
       cut_st_c[i][j] = cut_st_c_one;
@@ -786,7 +785,7 @@ void PairOxdnaStk::coeff(int narg, char **arg)
       b_st_lo[i][j] = b_st_lo_one;
       b_st_hi[i][j] = b_st_hi_one;
       shift_st[i][j] = shift_st_one;
-      if (seqdepflag) shift_st[i][j] *= alpha[i-1][j-1];
+      if (seqdepflag) shift_st[i][j] *= eta_st[i-1][j-1];
 
       a_st4[i][j] = a_st4_one;
       theta_st4_0[i][j] = theta_st4_0_one;
@@ -866,7 +865,7 @@ double PairOxdnaStk::init_one(int i, int j)
   }
 
   if (seqdepflag) {
-    epsilon_st[j][i] = epsilon_st[i][j]  / alpha[i-1][j-1] * alpha[j-1][i-1];
+    epsilon_st[j][i] = epsilon_st[i][j]  / eta_st[i-1][j-1] * eta_st[j-1][i-1];
   }
   else {
     epsilon_st[j][i] = epsilon_st[i][j];
@@ -881,7 +880,7 @@ double PairOxdnaStk::init_one(int i, int j)
   cut_st_lc[j][i] = cut_st_lc[i][j];
   cut_st_hc[j][i] = cut_st_hc[i][j];
   if (seqdepflag) {
-    shift_st[j][i] = shift_st[i][j] / alpha[i-1][j-1] * alpha[j-1][i-1];
+    shift_st[j][i] = shift_st[i][j] / eta_st[i-1][j-1] * eta_st[j-1][i-1];
   }
   else {
     shift_st[j][i] = shift_st[i][j];
diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp
index a354a604fdad68541e3c809ffdedba64f53020b9..1365d0d2b2134bed107885d95233f21db48510eb 100644
--- a/src/USER-CGDNA/pair_oxdna_xstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp
@@ -62,9 +62,9 @@ PairOxdnaXstk::~PairOxdnaXstk()
     memory->destroy(cut_xst_hi);
     memory->destroy(cut_xst_lc);
     memory->destroy(cut_xst_hc);
+    memory->destroy(cutsq_xst_hc);
     memory->destroy(b_xst_lo);
     memory->destroy(b_xst_hi);
-    memory->destroy(cutsq_xst_hc);
 
     memory->destroy(a_xst1);
     memory->destroy(theta_xst1_0);
@@ -153,8 +153,7 @@ void PairOxdnaXstk::compute(int eflag, int vflag)
   double df2,df4t1,df4t4,df4t2,df4t3,df4t7,df4t8,rsint;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   anum = list->inum;
   alist = list->ilist;
diff --git a/src/USER-CGSDK/angle_sdk.cpp b/src/USER-CGSDK/angle_sdk.cpp
index 6b8245b4914447cab0426d9a3a95633105c119b2..823c725e077e18266dd8a81ede2d72b3c9b4b1ea 100644
--- a/src/USER-CGSDK/angle_sdk.cpp
+++ b/src/USER-CGSDK/angle_sdk.cpp
@@ -68,8 +68,7 @@ void AngleSDK::compute(int eflag, int vflag)
   double rsq1,rsq2,rsq3,r1,r2,c,s,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-CGSDK/pair_lj_sdk.cpp b/src/USER-CGSDK/pair_lj_sdk.cpp
index 3404beb58a95528cd3def330ff78e88910be99fb..7dd6c04436f0130d031f4cca399a2866d4f645d3 100644
--- a/src/USER-CGSDK/pair_lj_sdk.cpp
+++ b/src/USER-CGSDK/pair_lj_sdk.cpp
@@ -78,9 +78,7 @@ PairLJSDK::~PairLJSDK()
 
 void PairLJSDK::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
index c51235518b38ccbe5057ecc4d838aa6827c842f6..33a1659df986f62aab1311013091fff96fea9777 100644
--- a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
+++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
@@ -90,9 +90,7 @@ PairLJSDKCoulLong::~PairLJSDKCoulLong()
 
 void PairLJSDKCoulLong::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp
index c4882fdbdb9e13b2ae953b5f666a8c95c92d4d63..d26f8efcdc05856b30df557177d4c416813ed5e7 100644
--- a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp
+++ b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp
@@ -57,9 +57,7 @@ void PairLJSDKCoulMSM::compute(int eflag, int vflag)
   if (force->kspace->scalar_pressure_flag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' with Pair style");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   if (evflag) {
     if (eflag) {
diff --git a/src/USER-COLVARS/colvarproxy_lammps.cpp b/src/USER-COLVARS/colvarproxy_lammps.cpp
index ff74602b418e0bce8cfdfbc3f60692f4a8aeeebc..651999f79c121f77f8d86b306f99a49cff3df580 100644
--- a/src/USER-COLVARS/colvarproxy_lammps.cpp
+++ b/src/USER-COLVARS/colvarproxy_lammps.cpp
@@ -153,18 +153,29 @@ void colvarproxy_lammps::init(const char *conf_file)
   if (_lmp->update->ntimestep != 0) {
     cvm::log("Setting initial step number from LAMMPS: "+
              cvm::to_str(_lmp->update->ntimestep)+"\n");
-    colvars->it = colvars->it_restart = _lmp->update->ntimestep;
+    colvars->it = colvars->it_restart =
+      static_cast<cvm::step_number>(_lmp->update->ntimestep);
   }
 
   if (cvm::debug()) {
-    log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
-    log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
-    log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
-    log(cvm::line_marker);
-    log("Info: done initializing the colvars proxy object.\n");
+    cvm::log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
+    cvm::log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
+    cvm::log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
+    cvm::log(cvm::line_marker);
+    cvm::log("Info: done initializing the colvars proxy object.\n");
   }
 }
 
+void colvarproxy_lammps::add_config_file(const char *conf_file)
+{
+  colvars->read_config_file(conf_file);
+}
+
+void colvarproxy_lammps::add_config_string(const std::string &conf)
+{
+  colvars->read_config_string(conf);
+}
+
 colvarproxy_lammps::~colvarproxy_lammps()
 {
   delete _random;
@@ -185,7 +196,7 @@ int colvarproxy_lammps::setup()
 double colvarproxy_lammps::compute()
 {
   if (cvm::debug()) {
-    log(std::string(cvm::line_marker)+
+    cvm::log(std::string(cvm::line_marker)+
         "colvarproxy_lammps step no. "+
         cvm::to_str(_lmp->update->ntimestep)+" [first - last = "+
         cvm::to_str(_lmp->update->beginstep)+" - "+
@@ -238,20 +249,20 @@ double colvarproxy_lammps::compute()
   bias_energy = 0.0;
 
   if (cvm::debug()) {
-    log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
-    log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
-    log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
-    log("atoms_new_colvar_forces = "+cvm::to_str(atoms_new_colvar_forces)+"\n");
+    cvm::log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
+    cvm::log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
+    cvm::log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
+    cvm::log("atoms_new_colvar_forces = "+cvm::to_str(atoms_new_colvar_forces)+"\n");
   }
 
   // call the collective variable module
   colvars->calc();
 
   if (cvm::debug()) {
-    log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
-    log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
-    log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
-    log("atoms_new_colvar_forces = "+cvm::to_str(atoms_new_colvar_forces)+"\n");
+    cvm::log("atoms_ids = "+cvm::to_str(atoms_ids)+"\n");
+    cvm::log("atoms_ncopies = "+cvm::to_str(atoms_ncopies)+"\n");
+    cvm::log("atoms_positions = "+cvm::to_str(atoms_positions)+"\n");
+    cvm::log("atoms_new_colvar_forces = "+cvm::to_str(atoms_new_colvar_forces)+"\n");
   }
 
   return bias_energy;
diff --git a/src/USER-COLVARS/colvarproxy_lammps.h b/src/USER-COLVARS/colvarproxy_lammps.h
index cdd86cbd16a04c50d176b720e676b36b0615d2a6..c3d9dbb35fb4b3eb0f16808386c5d12e9a2ad248 100644
--- a/src/USER-COLVARS/colvarproxy_lammps.h
+++ b/src/USER-COLVARS/colvarproxy_lammps.h
@@ -103,6 +103,11 @@ class colvarproxy_lammps : public colvarproxy {
   // Write files expected from Colvars (called by post_run())
   void write_output_files();
 
+  // read additional config from file
+  void add_config_file(char const *config_filename);
+
+  // read additional config from string
+  void add_config_string(const std::string &config);
 
   // implementation of pure methods from base class
  public:
diff --git a/src/USER-COLVARS/colvarproxy_lammps_version.h b/src/USER-COLVARS/colvarproxy_lammps_version.h
index edd6778c64c4940936d61fbc56f5282ec61fc05e..0a4f9fdf4fe221c3dfa8d5af05aad22005251976 100644
--- a/src/USER-COLVARS/colvarproxy_lammps_version.h
+++ b/src/USER-COLVARS/colvarproxy_lammps_version.h
@@ -1,5 +1,5 @@
 #ifndef COLVARPROXY_VERSION
-#define COLVARPROXY_VERSION "2018-08-29"
+#define COLVARPROXY_VERSION "2019-04-09"
 // This file is part of the Collective Variables module (Colvars).
 // The original version of Colvars and its updates are located at:
 // https://github.com/colvars/colvars
diff --git a/src/USER-COLVARS/fix_colvars.cpp b/src/USER-COLVARS/fix_colvars.cpp
index 0e4e151c3dcca2bc43e4033df9127480f46a1318..ff0e8fb3347d7727c80f6b0cf8993cd300009f0a 100644
--- a/src/USER-COLVARS/fix_colvars.cpp
+++ b/src/USER-COLVARS/fix_colvars.cpp
@@ -480,6 +480,31 @@ void FixColvars::one_time_init()
 
 /* ---------------------------------------------------------------------- */
 
+int FixColvars::modify_param(int narg, char **arg)
+{
+  if (strcmp(arg[0],"configfile") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    if (me == 0) {
+      if (! proxy)
+        error->one(FLERR,"Cannot use fix_modify before initialization");
+      proxy->add_config_file(arg[1]);
+    }
+    return 2;
+  } else if (strcmp(arg[0],"config") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    if (me == 0) {
+      if (! proxy)
+        error->one(FLERR,"Cannot use fix_modify before initialization");
+      std::string conf(arg[1]);
+      proxy->add_config_string(conf);
+    }
+    return 2;
+  }
+  return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixColvars::setup(int vflag)
 {
   const tagint * const tag  = atom->tag;
@@ -645,7 +670,7 @@ void FixColvars::setup(int vflag)
 /* ---------------------------------------------------------------------- */
 /* Main colvars handler:
  * Send coodinates and add colvar forces to atoms. */
-void FixColvars::post_force(int vflag)
+void FixColvars::post_force(int /*vflag*/)
 {
   // some housekeeping: update status of the proxy as needed.
   if (me == 0) {
@@ -816,7 +841,7 @@ void FixColvars::min_post_force(int vflag)
 }
 
 /* ---------------------------------------------------------------------- */
-void FixColvars::post_force_respa(int vflag, int ilevel, int iloop)
+void FixColvars::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 {
   /* only process colvar forces on the outmost RESPA level. */
   if (ilevel == nlevels_respa-1) post_force(vflag);
diff --git a/src/USER-COLVARS/fix_colvars.h b/src/USER-COLVARS/fix_colvars.h
index 3029ba9db541e095af265657d5f940998cce224f..a0c197fca4446e55f0c437ecc49c7666f8e7110c 100644
--- a/src/USER-COLVARS/fix_colvars.h
+++ b/src/USER-COLVARS/fix_colvars.h
@@ -50,6 +50,7 @@ class FixColvars : public Fix {
   virtual int setmask();
   virtual void init();
   virtual void setup(int);
+  virtual int modify_param(int, char **);
   virtual void min_setup(int vflag) {setup(vflag);};
   virtual void min_post_force(int);
   virtual void post_force(int);
diff --git a/src/USER-DPD/pair_dpd_fdt.cpp b/src/USER-DPD/pair_dpd_fdt.cpp
index 12e6d9f257c84eac8fa61bf637851ef704e2fb95..07ef8190f04fbe74ea3cbc235ca751d900decc64 100644
--- a/src/USER-DPD/pair_dpd_fdt.cpp
+++ b/src/USER-DPD/pair_dpd_fdt.cpp
@@ -76,8 +76,7 @@ void PairDPDfdt::compute(int eflag, int vflag)
   double gamma_ij;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-DPD/pair_dpd_fdt_energy.cpp b/src/USER-DPD/pair_dpd_fdt_energy.cpp
index 42c23e3ad234a682e1b513f778bb209f0e6aa066..12e6989c00692d53b25152f207ce63c1c37298ed 100644
--- a/src/USER-DPD/pair_dpd_fdt_energy.cpp
+++ b/src/USER-DPD/pair_dpd_fdt_energy.cpp
@@ -85,8 +85,7 @@ void PairDPDfdtEnergy::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-DPD/pair_exp6_rx.cpp b/src/USER-DPD/pair_exp6_rx.cpp
index 0251f019c5f3e0874a2f4882a606da69061a78fd..13521b52b18ae5d63328bdadd68c695704d06395 100644
--- a/src/USER-DPD/pair_exp6_rx.cpp
+++ b/src/USER-DPD/pair_exp6_rx.cpp
@@ -121,8 +121,7 @@ void PairExp6rx::compute(int eflag, int vflag)
 
   evdwlOld = 0.0;
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-DPD/pair_multi_lucy.cpp b/src/USER-DPD/pair_multi_lucy.cpp
index 19a4a02f0b31a2f428b76e42f15e9616ce2141d0..ffc1562f88e7a599e601ec3d24d16d818cf3b540 100644
--- a/src/USER-DPD/pair_multi_lucy.cpp
+++ b/src/USER-DPD/pair_multi_lucy.cpp
@@ -95,8 +95,7 @@ void PairMultiLucy::compute(int eflag, int vflag)
   int tlm1 = tablength - 1;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-DPD/pair_multi_lucy_rx.cpp b/src/USER-DPD/pair_multi_lucy_rx.cpp
index f3ad86eb2f0639b491a98153e9a34ea393894c71..801e8ff0396620de85ad3f06ee18cbd5845bfe75 100644
--- a/src/USER-DPD/pair_multi_lucy_rx.cpp
+++ b/src/USER-DPD/pair_multi_lucy_rx.cpp
@@ -111,8 +111,7 @@ void PairMultiLucyRX::compute(int eflag, int vflag)
 
   evdwlOld = 0.0;
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp
index 1e7bc440d11107bbbdf224668e10b3be85727e14..f2d0d7b1fbd1ed5d6179a5d27a92ddfc23065182 100644
--- a/src/USER-DPD/pair_table_rx.cpp
+++ b/src/USER-DPD/pair_table_rx.cpp
@@ -78,8 +78,7 @@ void PairTableRX::compute(int eflag, int vflag)
 
   evdwlOld = 0.0;
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
index f9da40dfb9888e6ccfd12768f202d040a61b5445..1ebe4a4c2d6ea8e6d0c4873bd8496a1da7e714c1 100644
--- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
+++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
@@ -98,8 +98,7 @@ void PairLJCutTholeLong::compute(int eflag, int vflag)
   int di_closest;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-DRUDE/pair_thole.cpp b/src/USER-DRUDE/pair_thole.cpp
index 5a518d819bb9248eebe284a1decd4a1f1678dcdd..1bb75af825e12039e2d0825213abcfde518bc9a4 100644
--- a/src/USER-DRUDE/pair_thole.cpp
+++ b/src/USER-DRUDE/pair_thole.cpp
@@ -64,8 +64,7 @@ void PairThole::compute(int eflag, int vflag)
   double dcoul,asr,exp_asr;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp
index b4e9011e332b3d586dd249dabc705c133cddd7d9..f566922ef7977b9f4e04b867c6f43ff6ae436e52 100644
--- a/src/USER-EFF/pair_eff_cut.cpp
+++ b/src/USER-EFF/pair_eff_cut.cpp
@@ -81,8 +81,7 @@ void PairEffCut::compute(int eflag, int vflag)
   // pvector = [KE, Pauli, ecoul, radial_restraint]
   for (i=0; i<4; i++) pvector[i] = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp
index 529ffe6b0983f9dc160aa336b80310c41471907c..86a6d02819e9952aef1949de80c5d0cfb13b01fd 100644
--- a/src/USER-FEP/pair_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_coul_cut_soft.cpp
@@ -60,8 +60,7 @@ void PairCoulCutSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp
index e45dbe72d6c38b6e6dd84053cad4f2e5ffda1d7c..9d3ffc0da18b636f68310fdb3e9bfa1aced26ec6 100644
--- a/src/USER-FEP/pair_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_coul_long_soft.cpp
@@ -78,8 +78,7 @@ void PairCoulLongSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
index 34758b159b34bcbf546b76add6e8329f28caaff1..ac6f1e63844365315889018e7a9a2ab5774f318b 100644
--- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
@@ -92,8 +92,7 @@ void PairLJCharmmCoulLongSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -415,8 +414,7 @@ void PairLJCharmmCoulLongSoft::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
index 7970097cfec1bb609ebe6fd4d8bb92079426f1d2..ae79515488e0d38d7e06a9af5249b8ca2d88faea 100644
--- a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
@@ -39,24 +39,24 @@ PairLJClass2CoulCutSoft::PairLJClass2CoulCutSoft(LAMMPS *lmp) : Pair(lmp)
 
 PairLJClass2CoulCutSoft::~PairLJClass2CoulCutSoft()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(cut_coul);
-      memory->destroy(cut_coulsq);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lambda);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(cut_coul);
+    memory->destroy(cut_coulsq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lambda);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
 }
 
@@ -72,8 +72,7 @@ void PairLJClass2CoulCutSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
index 13096a64c6abd14bdda5a45a3df7baabb3af4417..275486d1e2196d0b80c8b89503a4ce109e20cda5 100644
--- a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
@@ -49,22 +49,22 @@ PairLJClass2CoulLongSoft::PairLJClass2CoulLongSoft(LAMMPS *lmp) : Pair(lmp)
 
 PairLJClass2CoulLongSoft::~PairLJClass2CoulLongSoft()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lambda);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lambda);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
 }
 
@@ -74,7 +74,6 @@ void PairLJClass2CoulLongSoft::compute(int eflag, int vflag)
 {
   int i,j,ii,jj,inum,jnum,itype,jtype;
   double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
-  double fraction;
   double rsq,r,forcecoul,forcelj;
   double grij,expm2,prefactor,t,erfc;
   double factor_coul,factor_lj;
@@ -82,8 +81,7 @@ void PairLJClass2CoulLongSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -491,7 +489,7 @@ double PairLJClass2CoulLongSoft::single(int i, int j, int itype, int jtype,
                                     double &fforce)
 {
   double denc,r,denlj,r4sig6,grij,expm2,t,erfc,prefactor;
-  double fraction,forcecoul,forcelj,phicoul,philj;
+  double forcecoul,forcelj,phicoul,philj;
 
   if (rsq < cut_coulsq) {
       r = sqrt(rsq);
diff --git a/src/USER-FEP/pair_lj_class2_soft.cpp b/src/USER-FEP/pair_lj_class2_soft.cpp
index b7f21fc59c67dc602264f891a2eb61dd71f1ded2..d22cd538832d968d0573354a536cc9b084454016 100644
--- a/src/USER-FEP/pair_lj_class2_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_soft.cpp
@@ -32,28 +32,26 @@ using namespace MathConst;
 PairLJClass2Soft::PairLJClass2Soft(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
-  allocated = 0;
 }
 
 /* ---------------------------------------------------------------------- */
 
 PairLJClass2Soft::~PairLJClass2Soft()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lambda);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(offset);
-      allocated=0;
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lambda);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(offset);
   }
 }
 
@@ -68,8 +66,7 @@ void PairLJClass2Soft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
index fc887fbec5cf2b8729bd6dc5f1cb433ed632209f..35c9162dbc9eae267609eaca7d5e1c3b7b591706 100644
--- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
@@ -73,8 +73,7 @@ void PairLJCutCoulCutSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
index a9032ab4d723d7e595b585f5ae910367107f7078..79253d2b9c7544db3c509bdb62aa069b1e951fa1 100644
--- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
@@ -89,8 +89,7 @@ void PairLJCutCoulLongSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -390,8 +389,7 @@ void PairLJCutCoulLongSoft::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp
index 1322565473c3bb8890c68499a892b834e6022b55..4192d6546b4dd70f433836e76168468e15628f91 100644
--- a/src/USER-FEP/pair_lj_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_soft.cpp
@@ -77,8 +77,7 @@ void PairLJCutSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -323,8 +322,7 @@ void PairLJCutSoft::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
index 8653800ee67f5f210e7a44db4789c571089cca08..8ac28f9fa9a508646302f0200c84c6d4ee7052fc 100644
--- a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
@@ -92,8 +92,7 @@ void PairLJCutTIP4PLongSoft::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/USER-FEP/pair_morse_soft.cpp b/src/USER-FEP/pair_morse_soft.cpp
index f4c5a4b910227a350840e2bc98fcf14bab5f4b0b..21f616a082959bc1758d845f572ccb4470632ba4 100644
--- a/src/USER-FEP/pair_morse_soft.cpp
+++ b/src/USER-FEP/pair_morse_soft.cpp
@@ -53,8 +53,7 @@ void PairMorseSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-FEP/pair_tip4p_long_soft.cpp b/src/USER-FEP/pair_tip4p_long_soft.cpp
index 5e8c5000f88e894bfc5ffd60224f26605a038dc6..9b6a6841fe66f363e95287da63a9b18ff6e31a52 100644
--- a/src/USER-FEP/pair_tip4p_long_soft.cpp
+++ b/src/USER-FEP/pair_tip4p_long_soft.cpp
@@ -91,8 +91,7 @@ void PairTIP4PLongSoft::compute(int eflag, int vflag)
   double rsq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh & newsite if necessary
   // initialize hneigh[0] to -1 on steps when reneighboring occurred
diff --git a/src/USER-INTEL/README b/src/USER-INTEL/README
index 871d881f39f3649cd67bc641116b6dcfbe539160..786033ca85889886f1d5d75c5adc66ab768c8505 100644
--- a/src/USER-INTEL/README
+++ b/src/USER-INTEL/README
@@ -2,13 +2,13 @@
                      --------------------------------
                           LAMMPS Intel(R) Package
                      --------------------------------
-                     
+
              W. Michael Brown (Intel) michael.w.brown at intel.com
                   Markus Hohnerbach (RWTH Aachen University)
                    William McDoniel (RWTH Aachen University)
                    Rodrigo Canales (RWTH Aachen University)
                            Stan Moore (Sandia)
-		   Ahmed E. Ismail (RWTH Aachen University)
+                   Ahmed E. Ismail (RWTH Aachen University)
                    Paolo Bientinesi (RWTH Aachen University)
                           Anupama Kurpad (Intel)
                           Biswajit Mishra (Shell)
@@ -20,23 +20,29 @@ This package provides LAMMPS styles that:
    1. include support for single and mixed precision in addition to double.
    2. include modifications to support vectorization for key routines
    3. include modifications for data layouts to improve cache efficiency
-   3. include modifications to support offload to Intel(R) Xeon Phi(TM) 
+   3. include modifications to support offload to Intel(R) Xeon Phi(TM)
       coprocessors
 
 -----------------------------------------------------------------------------
 
+As of 2019/03/28 none of the styles provided in this package support
+tallying per-atom stresses. Any attempt to compute/access it will
+cause an error termination.
+
+-----------------------------------------------------------------------------
+
 For Intel server processors codenamed "Skylake", the following flags should
 be added or changed in the Makefile depending on the version:
 
 2017 update 2         - No changes needed
 2017 updates 3 or 4   - Use -xCOMMON-AVX512 and not -xHost or -xCORE-AVX512
 2018 inital release   - Use -xCOMMON-AVX512 and not -xHost or -xCORE-AVX512
-2018u1 or newer       - Use -xHost or -xCORE-AVX512 and -qopt-zmm-usage=high 
+2018u1 or newer       - Use -xHost or -xCORE-AVX512 and -qopt-zmm-usage=high
 
 -----------------------------------------------------------------------------
 
 When using the suffix command with "intel", intel styles will be used if they
-exist. If the suffix command is used with "hybrid intel omp" and the USER-OMP 
+exist. If the suffix command is used with "hybrid intel omp" and the USER-OMP
 is installed, USER-OMP styles will be used whenever USER-INTEL styles are not
 available. This allow for running most styles in LAMMPS with threading.
 
@@ -55,21 +61,21 @@ need to be changed.
 
 Unless Intel Math Kernel Library (MKL) is unavailable, -DLMP_USE_MKL_RNG
 should be added to the compile flags. This will enable using the MKL Mersenne
-Twister random number generator (RNG) for Dissipative Particle Dynamics 
-(DPD). This RNG can allow significantly faster performance and it also has a 
+Twister random number generator (RNG) for Dissipative Particle Dynamics
+(DPD). This RNG can allow significantly faster performance and it also has a
 significantly longer period than the standard RNG for DPD.
 
 -----------------------------------------------------------------------------
 
-In order to use offload to Intel(R) Xeon Phi(TM) coprocessors, the flag 
--DLMP_INTEL_OFFLOAD should be set in the Makefile. Offload requires the use of 
+In order to use offload to Intel(R) Xeon Phi(TM) coprocessors, the flag
+-DLMP_INTEL_OFFLOAD should be set in the Makefile. Offload requires the use of
 Intel compilers.
 
 -----------------------------------------------------------------------------
 
-For portability reasons, vectorization directives are currently only enabled 
+For portability reasons, vectorization directives are currently only enabled
 for Intel compilers. Using other compilers may result in significantly
-lower performance. This behavior can be changed by defining 
+lower performance. This behavior can be changed by defining
 LMP_SIMD_COMPILER for the preprocessor (see intel_preprocess.h).
 
 -----------------------------------------------------------------------------
@@ -81,9 +87,9 @@ compile with -DINTEL_OFFLOAD_NOAFFINITY.
 
 -----------------------------------------------------------------------------
 
-Vector intrinsics are temporarily being used for the Stillinger-Weber 
+Vector intrinsics are temporarily being used for the Stillinger-Weber
 potential to allow for advanced features in the AVX512 instruction set to
 be exploited on early hardware. We hope to see compiler improvements for
 AVX512 that will eliminate this requirement, so it is not recommended to
-develop code based on the intrinsics implementation. Please e-mail the 
+develop code based on the intrinsics implementation. Please e-mail the
 authors for more details.
diff --git a/src/USER-INTEL/angle_charmm_intel.cpp b/src/USER-INTEL/angle_charmm_intel.cpp
index f2542fc0c7f43dd3d7bb1717f20f44ffbce6b9de..43de50e7fa79ba99f4aea2910be7f78f85fea339 100644
--- a/src/USER-INTEL/angle_charmm_intel.cpp
+++ b/src/USER-INTEL/angle_charmm_intel.cpp
@@ -78,8 +78,9 @@ void AngleCharmmIntel::compute(int eflag, int vflag,
                                IntelBuffers<flt_t,acc_t> *buffers,
                                const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/angle_harmonic_intel.cpp b/src/USER-INTEL/angle_harmonic_intel.cpp
index 6d8901a5ee1141f563e954c8781cccbf96d0948c..d073e7bc56997d9ab0334f1fd35709b290cd0de4 100644
--- a/src/USER-INTEL/angle_harmonic_intel.cpp
+++ b/src/USER-INTEL/angle_harmonic_intel.cpp
@@ -78,8 +78,9 @@ void AngleHarmonicIntel::compute(int eflag, int vflag,
                                IntelBuffers<flt_t,acc_t> *buffers,
                                const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/bond_fene_intel.cpp b/src/USER-INTEL/bond_fene_intel.cpp
index bff3722a44a06ee657f19479ad7b28452567bb97..6578706a9be9ff4aa7f30972655aff4fb645d240 100644
--- a/src/USER-INTEL/bond_fene_intel.cpp
+++ b/src/USER-INTEL/bond_fene_intel.cpp
@@ -74,8 +74,9 @@ void BondFENEIntel::compute(int eflag, int vflag,
                                 IntelBuffers<flt_t,acc_t> *buffers,
                                 const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/bond_harmonic_intel.cpp b/src/USER-INTEL/bond_harmonic_intel.cpp
index 65894efa056cba90a4da72dbfbe6ee3c4157577c..55dda9fa15cf0a9712b8270bd7a9e3eb97400b58 100644
--- a/src/USER-INTEL/bond_harmonic_intel.cpp
+++ b/src/USER-INTEL/bond_harmonic_intel.cpp
@@ -74,8 +74,9 @@ void BondHarmonicIntel::compute(int eflag, int vflag,
                                 IntelBuffers<flt_t,acc_t> *buffers,
                                 const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/dihedral_charmm_intel.cpp b/src/USER-INTEL/dihedral_charmm_intel.cpp
index c9237e7309ea7b5f51a34fe86bcc13559119b7c7..2ea4eb6d218db74d0ee54b8a2e3e065f2569e5b8 100644
--- a/src/USER-INTEL/dihedral_charmm_intel.cpp
+++ b/src/USER-INTEL/dihedral_charmm_intel.cpp
@@ -84,9 +84,9 @@ void DihedralCharmmIntel::compute(int eflag, int vflag,
                                   IntelBuffers<flt_t,acc_t> *buffers,
                                   const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/USER-INTEL/dihedral_fourier_intel.cpp b/src/USER-INTEL/dihedral_fourier_intel.cpp
index 6ccc165c612fd01bc66b8fec7541adc3ffbae2f5..8c4a2ce921dc9564c661cd448587b4728498e2c1 100644
--- a/src/USER-INTEL/dihedral_fourier_intel.cpp
+++ b/src/USER-INTEL/dihedral_fourier_intel.cpp
@@ -73,9 +73,9 @@ void DihedralFourierIntel::compute(int eflag, int vflag,
                                    IntelBuffers<flt_t,acc_t> *buffers,
                                    const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/dihedral_harmonic_intel.cpp b/src/USER-INTEL/dihedral_harmonic_intel.cpp
index ae5eb914e74d0af7ce5b727ed83761fea9d4d7b9..60655f2618bc73e7702b2dceccd50368b896b2fb 100644
--- a/src/USER-INTEL/dihedral_harmonic_intel.cpp
+++ b/src/USER-INTEL/dihedral_harmonic_intel.cpp
@@ -73,9 +73,9 @@ void DihedralHarmonicIntel::compute(int eflag, int vflag,
                                   IntelBuffers<flt_t,acc_t> *buffers,
                                   const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/dihedral_opls_intel.cpp b/src/USER-INTEL/dihedral_opls_intel.cpp
index 7a60b62cae62fc64c5f9d4f1432bfe1cbbe90dd9..5b580cd7d9dfc76bf80ad6b141537a14fb674a27 100644
--- a/src/USER-INTEL/dihedral_opls_intel.cpp
+++ b/src/USER-INTEL/dihedral_opls_intel.cpp
@@ -77,9 +77,9 @@ void DihedralOPLSIntel::compute(int eflag, int vflag,
                                   IntelBuffers<flt_t,acc_t> *buffers,
                                   const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp
index 67bf33e7518c0ed219e3213dfe40c48def43eb80..bdc47827ab01ca394198e81e79fa023023175140 100644
--- a/src/USER-INTEL/fix_intel.cpp
+++ b/src/USER-INTEL/fix_intel.cpp
@@ -34,10 +34,6 @@
 #include <cstdio>
 #include <cmath>
 
-#ifdef LAMMPS_BIGBIG
-#error "The USER-INTEL package is not compatible with -DLAMMPS_BIGBIG"
-#endif
-
 #ifdef _LMP_INTEL_OFFLOAD
 #ifndef INTEL_OFFLOAD_NOAFFINITY
 #include <unistd.h>
@@ -378,13 +374,13 @@ void FixIntel::setup(int vflag)
   if (neighbor->style != Neighbor::BIN)
     error->all(FLERR,
             "Currently, neighbor style BIN must be used with Intel package.");
-  if (neighbor->exclude_setting() != 0)
-    error->all(FLERR,
-            "Currently, cannot use neigh_modify exclude with Intel package.");
-  if (vflag_atom)
+  if (vflag > 3)
    error->all(FLERR,
                "Cannot currently get per-atom virials with Intel package.");
   #ifdef _LMP_INTEL_OFFLOAD
+  if (neighbor->exclude_setting() != 0)
+    error->all(FLERR,
+     "Currently, cannot use neigh_modify exclude with Intel package offload.");
   post_force(vflag);
   #endif
 }
diff --git a/src/USER-INTEL/fix_intel.h b/src/USER-INTEL/fix_intel.h
index 3810b57355b26e3f680386a6db7c4ea206df0f18..f23e305ca79f5d85e33e40acb62d57af82c75f0b 100644
--- a/src/USER-INTEL/fix_intel.h
+++ b/src/USER-INTEL/fix_intel.h
@@ -495,9 +495,9 @@ E: Currently, neighbor style BIN must be used with Intel package.
 This is the only neighbor style that has been implemented for the Intel
 package.
 
-E: Currently, cannot use neigh_modify exclude with Intel package.
+E: Currently, cannot use neigh_modify exclude with Intel package offload.
 
-This is a current restriction of the Intel package.
+This is a current restriction of the Intel package when built for offload.
 
 W: Unknown Intel Compiler Version
 
diff --git a/src/USER-INTEL/improper_cvff_intel.cpp b/src/USER-INTEL/improper_cvff_intel.cpp
index 03bd134b401f67e4aec8603bd858e7dc9716a597..f198e47d5cdcae3bf2e71b857e2658afaa6d2ff9 100644
--- a/src/USER-INTEL/improper_cvff_intel.cpp
+++ b/src/USER-INTEL/improper_cvff_intel.cpp
@@ -83,8 +83,9 @@ void ImproperCvffIntel::compute(int eflag, int vflag,
                                     IntelBuffers<flt_t,acc_t> *buffers,
                                     const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/improper_harmonic_intel.cpp b/src/USER-INTEL/improper_harmonic_intel.cpp
index 167095150e8c8cb05af7fc4982980432eb0745a6..d638e6a66eb7c681d6c2817879ba851f4007f3df 100644
--- a/src/USER-INTEL/improper_harmonic_intel.cpp
+++ b/src/USER-INTEL/improper_harmonic_intel.cpp
@@ -84,8 +84,9 @@ void ImproperHarmonicIntel::compute(int eflag, int vflag,
                                     IntelBuffers<flt_t,acc_t> *buffers,
                                     const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   if (evflag) {
     if (vflag && !eflag) {
diff --git a/src/USER-INTEL/intel_buffers.cpp b/src/USER-INTEL/intel_buffers.cpp
index c0995b6a9c9e9ac9de50d3905595d6ea2d958299..ec3c23354217a19ff73bbb801310a36eea29e601 100644
--- a/src/USER-INTEL/intel_buffers.cpp
+++ b/src/USER-INTEL/intel_buffers.cpp
@@ -186,8 +186,8 @@ void IntelBuffers<flt_t, acc_t>::free_nmax()
 {
   #ifdef _LMP_INTEL_OFFLOAD
   if (_off_map_nmax > 0) {
-    const int * tag = _off_map_tag;
-    const int * special = _off_map_special;
+    const tagint * tag = _off_map_tag;
+    const tagint * special = _off_map_special;
     const int * nspecial = _off_map_nspecial;
     #pragma offload_transfer target(mic:_cop) \
       nocopy(tag:alloc_if(0) free_if(1)) \
@@ -209,7 +209,8 @@ void IntelBuffers<flt_t, acc_t>::_grow_nmax(const int offload_end)
   _host_nmax = size;
 
   if (!offload_end) return;
-  int *special, *nspecial;
+  tagint *special;
+  int *nspecial;
   int tag_length, special_length, nspecial_length;
   if (lmp->atom->molecular) {
     special = lmp->atom->special[0];
@@ -226,7 +227,7 @@ void IntelBuffers<flt_t, acc_t>::_grow_nmax(const int offload_end)
     tag_length = size;
   else
     tag_length = 1;
-  int *tag = lmp->atom->tag;
+  tagint *tag = lmp->atom->tag;
   #pragma offload_transfer target(mic:_cop) \
     nocopy(tag:length(tag_length) alloc_if(1) free_if(0)) \
     nocopy(special:length(special_length) alloc_if(1) free_if(0)) \
@@ -523,7 +524,7 @@ void IntelBuffers<flt_t, acc_t>::free_ncache()
     flt_t *ncachez = _ncachez;
     int *ncachej = _ncachej;
     int *ncachejtype = _ncachejtype;
-    int *ncachetag = _ncachetag;
+    tagint *ncachetag = _ncachetag;
 
     #ifdef _LMP_INTEL_OFFLOAD
     if (_off_ncache) {
@@ -603,7 +604,7 @@ void IntelBuffers<flt_t, acc_t>::grow_ncache(const int off_flag,
       tsize = 16;
       lmp->memory->create(_ncachetag, tsize, "_ncachetag");
     }
-    int *ncachetag = _ncachetag;
+    tagint *ncachetag = _ncachetag;
     #pragma offload_transfer target(mic:_cop)                   \
       nocopy(ncachetag:length(tsize) alloc_if(1) free_if(0))
     _off_ncache = 1;
diff --git a/src/USER-INTEL/intel_buffers.h b/src/USER-INTEL/intel_buffers.h
index 276b87ec5f2a2d1ff86302a9d257bd1aec6ec7a9..f3c07da7c2bc750e739af9d9ab158f196a097361 100644
--- a/src/USER-INTEL/intel_buffers.h
+++ b/src/USER-INTEL/intel_buffers.h
@@ -132,7 +132,7 @@ class IntelBuffers {
   inline flt_t * get_ncachez() { return _ncachez; }
   inline int * get_ncachej() { return _ncachej; }
   inline int * get_ncachejtype() { return _ncachejtype; }
-  inline int * get_ncachetag() { return _ncachetag; }
+  inline tagint * get_ncachetag() { return _ncachetag; }
 
   inline int get_max_nbors() {
     int mn = lmp->neighbor->oneatom * sizeof(int) /
@@ -336,7 +336,8 @@ class IntelBuffers {
 
   int _ncache_stride, _ncache_alloc;
   flt_t *_ncachex, *_ncachey, *_ncachez;
-  int *_ncachej, *_ncachejtype, *_ncachetag;
+  int *_ncachej, *_ncachejtype;
+  tagint *_ncachetag;
 
   int _need_tag, _host_nmax;
 
@@ -352,8 +353,8 @@ class IntelBuffers {
   quat_t *_host_quat;
   vec3_acc_t *_off_f;
   int _off_map_nmax, _cop, _off_ccache, _off_ncache;
-  int *_off_map_ilist;
-  int *_off_map_special, *_off_map_nspecial, *_off_map_tag;
+  int *_off_map_ilist, *_off_map_nspecial;
+  tagint *_off_map_tag, *_off_map_special;
   int **_off_map_firstneigh, *_off_map_numneigh;
   bool _off_list_alloc;
   #endif
diff --git a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
index db4b0c50a42da3e8c37f63321b3b9304621abdc2..e1e09fd3da4b3ee0bab35ef0953d385c8b1264eb 100644
--- a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
+++ b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
@@ -194,7 +194,7 @@ void NPairFullBinGhostIntel::fbi(const int offload, NeighList * list,
   flt_t * _noalias const ncachez = buffers->get_ncachez();
   int * _noalias const ncachej = buffers->get_ncachej();
   int * _noalias const ncachejtype = buffers->get_ncachejtype();
-  int * _noalias const ncachetag = buffers->get_ncachetag();
+  tagint * _noalias const ncachetag = buffers->get_ncachetag();
   const int ncache_stride = buffers->ncache_stride();
 
   const int mbinx = this->mbinx;
@@ -304,7 +304,7 @@ void NPairFullBinGhostIntel::fbi(const int offload, NeighList * list,
       flt_t * _noalias const tz = ncachez + toffs;
       int * _noalias const tj = ncachej + toffs;
       int * _noalias const tjtype = ncachejtype + toffs;
-      int * _noalias const ttag = ncachetag + toffs;
+      tagint * _noalias const ttag = ncachetag + toffs;
 
       // loop over all atoms in other bins in stencil, store every pair
       int ncount, oldbin = -9999999;
@@ -392,7 +392,7 @@ void NPairFullBinGhostIntel::fbi(const int offload, NeighList * list,
           const flt_t dely = ytmp - ty[u];
           const flt_t delz = ztmp - tz[u];
           const int jtype = tjtype[u];
-          const int jtag = ttag[u];
+          const tagint jtag = ttag[u];
           const flt_t rsq = delx * delx + dely * dely + delz * delz;
           if (rsq > cutsq[ioffset + jtype]) addme = 0;
 
diff --git a/src/USER-INTEL/npair_intel.cpp b/src/USER-INTEL/npair_intel.cpp
index e20c437cb7d58007166ec4815d77be8c3647f6ef..ad9ec6e7d3a048506a1746f6630ce459d9955cda 100644
--- a/src/USER-INTEL/npair_intel.cpp
+++ b/src/USER-INTEL/npair_intel.cpp
@@ -191,7 +191,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
   flt_t * _noalias const ncachez = buffers->get_ncachez();
   int * _noalias const ncachej = buffers->get_ncachej();
   int * _noalias const ncachejtype = buffers->get_ncachejtype();
-  int * _noalias const ncachetag = buffers->get_ncachetag();
+  tagint * _noalias const ncachetag = buffers->get_ncachetag();
   const int ncache_stride = buffers->ncache_stride();
 
   int sb = 1;
@@ -308,7 +308,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
       flt_t * _noalias const tz = ncachez + toffs;
       int * _noalias const tj = ncachej + toffs;
       int * _noalias const tjtype = ncachejtype + toffs;
-      int * _noalias const ttag = ncachetag + toffs;
+      tagint * _noalias const ttag = ncachetag + toffs;
 
       flt_t * _noalias itx;
       flt_t * _noalias ity;
@@ -501,7 +501,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
           }
 
           if (THREE) {
-            const int jtag = ttag[u];
+            const tagint jtag = ttag[u];
             int flist = 0;
             if (itag > jtag) {
               if (((itag+jtag) & 1) == 0) flist = 1;
diff --git a/src/USER-INTEL/pair_airebo_intel.cpp b/src/USER-INTEL/pair_airebo_intel.cpp
index 198f8798fa29e35e00429022cc37566edd6e88cb..eedf45d75ebede31767792ff2dd58b0a03be26f9 100644
--- a/src/USER-INTEL/pair_airebo_intel.cpp
+++ b/src/USER-INTEL/pair_airebo_intel.cpp
@@ -292,8 +292,10 @@ template<class flt_t, class acc_t>
 void PairAIREBOIntel::compute(
     int eflag, int vflag, IntelBuffers<flt_t,acc_t> * buffers
 ) {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
+
   pvector[0] = pvector[1] = pvector[2] = 0.0;
 
   const int inum = list->inum;
diff --git a/src/USER-INTEL/pair_airebo_intel.h b/src/USER-INTEL/pair_airebo_intel.h
index 95e054fc0fbc372bbe98e361970a621adad92456..675fda8fe36df96f653f9459f7d9970dce53fa96 100644
--- a/src/USER-INTEL/pair_airebo_intel.h
+++ b/src/USER-INTEL/pair_airebo_intel.h
@@ -27,7 +27,6 @@ PairStyle(airebo/intel,PairAIREBOIntel)
 #include "pair.h"
 #include "fix_intel.h"
 #include "pair_airebo.h"
-//#include "airebo_common.h"
 
 namespace LAMMPS_NS {
 
diff --git a/src/USER-INTEL/pair_airebo_morse_intel.cpp b/src/USER-INTEL/pair_airebo_morse_intel.cpp
index 21de29e1a7a27a9c2cea8c28ded8872e0fcc57a5..f68e299fa0ed22867ca586f7a876b1f49d36d430 100644
--- a/src/USER-INTEL/pair_airebo_morse_intel.cpp
+++ b/src/USER-INTEL/pair_airebo_morse_intel.cpp
@@ -23,7 +23,9 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 PairAIREBOMorseIntel::PairAIREBOMorseIntel(LAMMPS *lmp)
-  : PairAIREBOIntel(lmp) {}
+  : PairAIREBOIntel(lmp) {
+  variant = AIREBO_M;
+}
 
 /* ----------------------------------------------------------------------
    global settings
diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
index f82f4c1c7aee4f41def4313c0bb5bcd3c84a81db..4ad4398fbe6373ceefe935a77807d64d131234ca 100644
--- a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
+++ b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
@@ -73,9 +73,9 @@ void PairBuckCoulCutIntel::compute(int eflag, int vflag,
                                    IntelBuffers<flt_t,acc_t> *buffers,
                                    const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_buck_coul_long_intel.cpp b/src/USER-INTEL/pair_buck_coul_long_intel.cpp
index 059413c3d94c1e1d73ba7eee56417f9f07e3554e..150cfd3ee07f9b53bc058394d849cb580df985e6 100644
--- a/src/USER-INTEL/pair_buck_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_buck_coul_long_intel.cpp
@@ -73,9 +73,9 @@ void PairBuckCoulLongIntel::compute(int eflag, int vflag,
                                     IntelBuffers<flt_t,acc_t> *buffers,
                                     const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_buck_intel.cpp b/src/USER-INTEL/pair_buck_intel.cpp
index 0e0bd0f56fdf8977f70e38cf78ad8886de5da488..b21ce13a3423b301ff38f476d0b90e8553ab1abf 100644
--- a/src/USER-INTEL/pair_buck_intel.cpp
+++ b/src/USER-INTEL/pair_buck_intel.cpp
@@ -66,9 +66,9 @@ void PairBuckIntel::compute(int eflag, int vflag,
                             IntelBuffers<flt_t,acc_t> *buffers,
                             const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_dpd_intel.cpp b/src/USER-INTEL/pair_dpd_intel.cpp
index 5d67a60c4badb129dcbedceb6bb88f2d9ab7bffb..4ebdce9a962d4ce225450c4bde708e684bea1345 100644
--- a/src/USER-INTEL/pair_dpd_intel.cpp
+++ b/src/USER-INTEL/pair_dpd_intel.cpp
@@ -82,9 +82,9 @@ void PairDPDIntel::compute(int eflag, int vflag,
                            IntelBuffers<flt_t,acc_t> *buffers,
                            const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_eam_intel.cpp b/src/USER-INTEL/pair_eam_intel.cpp
index 95d0272d33361609d0372138811b407faa59f26e..9d2629ef1c65cbcc0492d796e2c5aea70178d518 100644
--- a/src/USER-INTEL/pair_eam_intel.cpp
+++ b/src/USER-INTEL/pair_eam_intel.cpp
@@ -78,9 +78,9 @@ void PairEAMIntel::compute(int eflag, int vflag,
                            IntelBuffers<flt_t,acc_t> *buffers,
                            const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_gayberne_intel.cpp b/src/USER-INTEL/pair_gayberne_intel.cpp
index 51524355d5cf8b56b48316a6aad86b109ccca2d9..862dee22874bfd1c63324a60865e4f746daacf17 100644
--- a/src/USER-INTEL/pair_gayberne_intel.cpp
+++ b/src/USER-INTEL/pair_gayberne_intel.cpp
@@ -72,9 +72,9 @@ void PairGayBerneIntel::compute(int eflag, int vflag,
                                 IntelBuffers<flt_t,acc_t> *buffers,
                                 const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nall = atom->nlocal + atom->nghost;
diff --git a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
index 0b6ac3ffa56d45333631c5bd4e01c2e08d8fd7bf..f3f81651fc5e63598838944347f0b23a87eaf406 100644
--- a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
+++ b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
@@ -66,9 +66,9 @@ void PairLJCharmmCoulCharmmIntel::compute(int eflag, int vflag,
                                         IntelBuffers<flt_t,acc_t> *buffers,
                                         const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp
index 753a9afdd9e4ede4977f50021645abb5b58b6eb8..b4697ad12218c75316c8c43d678ec3eca6ae930b 100644
--- a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp
@@ -70,9 +70,9 @@ void PairLJCharmmCoulLongIntel::compute(int eflag, int vflag,
                                         IntelBuffers<flt_t,acc_t> *buffers,
                                         const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
index 35ed9061ce0be04d05f9c522e46fd9cdcd01b30e..929ac2123f01158dff66dd3b7a9e8e4e2aa30df9 100644
--- a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
@@ -71,9 +71,9 @@ void PairLJCutCoulLongIntel::compute(int eflag, int vflag,
                                      IntelBuffers<flt_t,acc_t> *buffers,
                                      const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_lj_cut_intel.cpp b/src/USER-INTEL/pair_lj_cut_intel.cpp
index 94133a7f4771e349e61e365aca9f0fce1670e4b4..39db9c7333799b9aaa3a0086d07cd714f97d2ab9 100644
--- a/src/USER-INTEL/pair_lj_cut_intel.cpp
+++ b/src/USER-INTEL/pair_lj_cut_intel.cpp
@@ -62,9 +62,9 @@ void PairLJCutIntel::compute(int eflag, int vflag,
                              IntelBuffers<flt_t,acc_t> *buffers,
                              const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_rebo_intel.cpp b/src/USER-INTEL/pair_rebo_intel.cpp
index 3decc0154bdb0a0423baa348ed5e4f05a95106ab..d067005cfdd9fef1b5fe2be5db6d3f4bda94f203 100644
--- a/src/USER-INTEL/pair_rebo_intel.cpp
+++ b/src/USER-INTEL/pair_rebo_intel.cpp
@@ -22,21 +22,18 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairREBOIntel::PairREBOIntel(LAMMPS *lmp) : PairAIREBOIntel(lmp) {}
+PairREBOIntel::PairREBOIntel(LAMMPS *lmp) : PairAIREBOIntel(lmp) {
+  variant = REBO_2;
+}
 
 /* ----------------------------------------------------------------------
    global settings
 ------------------------------------------------------------------------- */
 
-void PairREBOIntel::settings(int narg, char **/*arg*/)
+void PairREBOIntel::settings(int narg, char ** /* arg */)
 {
   if (narg != 0) error->all(FLERR,"Illegal pair_style command");
 
   cutlj = 0.0;
   ljflag = torflag = 0;
-  //
-  // this one parameter for C-C interactions is different in REBO vs AIREBO
-  // see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
-
-  PCCf_2_0 = 0.0;
 }
diff --git a/src/USER-INTEL/pair_sw_intel.cpp b/src/USER-INTEL/pair_sw_intel.cpp
index 9e00516087cb3711f43d37927b6c98448bbc5b35..1955cd2e6d5785900df005ffe4a510cbc93bbd33 100644
--- a/src/USER-INTEL/pair_sw_intel.cpp
+++ b/src/USER-INTEL/pair_sw_intel.cpp
@@ -95,9 +95,9 @@ void PairSWIntel::compute(int eflag, int vflag,
                           IntelBuffers<flt_t,acc_t> *buffers,
                           const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pair_tersoff_intel.cpp b/src/USER-INTEL/pair_tersoff_intel.cpp
index 5d4c5f2cb677f3a5ec5e2d5ce88e6f4e83e4daa7..76d06b02dd71575cb58f4fccbcf34f9e2b01d7f5 100644
--- a/src/USER-INTEL/pair_tersoff_intel.cpp
+++ b/src/USER-INTEL/pair_tersoff_intel.cpp
@@ -107,9 +107,9 @@ void PairTersoffIntel::compute(int eflag, int vflag,
                                      IntelBuffers<flt_t,acc_t> *buffers,
                                      const ForceConst<flt_t> &fc)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+  if (vflag_atom)
+    error->all(FLERR,"USER-INTEL package does not support per-atom stress");
 
   const int inum = list->inum;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-INTEL/pppm_disp_intel.cpp b/src/USER-INTEL/pppm_disp_intel.cpp
index 795fe1a47df9b09295bb499711f8d9ac53921423..9d075c78a156a6f28209ab5cdff6f26537d128f7 100644
--- a/src/USER-INTEL/pppm_disp_intel.cpp
+++ b/src/USER-INTEL/pppm_disp_intel.cpp
@@ -174,9 +174,7 @@ void PPPMDispIntel::compute(int eflag, int vflag)
   int i;
   // convert atoms from box to lamda coords
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
diff --git a/src/USER-INTEL/pppm_intel.cpp b/src/USER-INTEL/pppm_intel.cpp
index 59455bcf52604cc5c5ffea73e6c22a571232f29b..e3d1e7d4aac5fbbfc3da93aefbcbeda0f4f80eda 100644
--- a/src/USER-INTEL/pppm_intel.cpp
+++ b/src/USER-INTEL/pppm_intel.cpp
@@ -161,9 +161,7 @@ void PPPMIntel::compute_first(int eflag, int vflag)
   // set energy/virial flags
   // invoke allocate_peratom() if needed for first time
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   if (evflag_atom && !peratom_allocate_flag) {
     allocate_peratom();
diff --git a/src/USER-LB/fix_lb_fluid.cpp b/src/USER-LB/fix_lb_fluid.cpp
index 6f1dfc99826c0fb321c1c93065ae401a2ba606b2..31c54aee76505938170bcc13235fb6e64d883b80 100644
--- a/src/USER-LB/fix_lb_fluid.cpp
+++ b/src/USER-LB/fix_lb_fluid.cpp
@@ -547,6 +547,18 @@ FixLbFluid::~FixLbFluid()
   } else {
     delete [] NodeArea;
   }
+  MPI_Type_free(&passxf);
+  MPI_Type_free(&passyf);
+  MPI_Type_free(&passzf);
+  MPI_Type_free(&passxu);
+  MPI_Type_free(&passyu);
+  MPI_Type_free(&passzu);
+  MPI_Type_free(&passxrho);
+  MPI_Type_free(&passyrho);
+  MPI_Type_free(&passzrho);
+  MPI_Type_free(&passxtemp);
+  MPI_Type_free(&passytemp);
+  MPI_Type_free(&passztemp);
 }
 
 int FixLbFluid::setmask()
diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
index 794a324f032f23112852bb8404ce63d755366311..de134e32edbd24653b3e467d9f533c62a9d82a1f 100644
--- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
+++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
@@ -559,7 +559,8 @@ void FixNVEManifoldRattle::rattle_manifold_x(double *x, double *v,
 
   if (iters >= max_iter && res > tolerance) {
     char msg[2048];
-    sprintf(msg,"Failed to constrain atom %d (x = (%f, %f, %f)! res = %e, iters = %d\n",
+    sprintf(msg,"Failed to constrain atom " TAGINT_FORMAT
+            " (x = (%f, %f, %f)! res = %e, iters = %d\n",
             tagi, x[0], x[1], x[2], res, iters);
     error->one(FLERR,msg);
   }
@@ -652,7 +653,8 @@ void FixNVEManifoldRattle::rattle_manifold_v(double *v, double *f,
 
   if (iters >= max_iter && res >= tolerance) {
           char msg[2048];
-          sprintf(msg,"Failed to constrain atom %d (x = (%f, %f, %f)! res = %e, iters = %d\n",
+          sprintf(msg,"Failed to constrain atom " TAGINT_FORMAT
+                  " (x = (%f, %f, %f)! res = %e, iters = %d\n",
                   tagi, x[0], x[1], x[2], res, iters);
           error->all(FLERR,msg);
   }
diff --git a/src/USER-MEAMC/pair_meamc.cpp b/src/USER-MEAMC/pair_meamc.cpp
index b74416a46d30f215dbb1b7bf5b5bc72fc1452386..a70fb77aae182c9a898eca795f2fc4ac7835c9ad 100644
--- a/src/USER-MEAMC/pair_meamc.cpp
+++ b/src/USER-MEAMC/pair_meamc.cpp
@@ -93,9 +93,7 @@ void PairMEAMC::compute(int eflag, int vflag)
   int *ilist_half,*numneigh_half,**firstneigh_half;
   int *numneigh_full,**firstneigh_full;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // neighbor list info
 
@@ -228,6 +226,9 @@ void PairMEAMC::coeff(int narg, char **arg)
   }
   nelements = narg - 4 - atom->ntypes;
   if (nelements < 1) error->all(FLERR,"Incorrect args for pair coefficients");
+  if (nelements > maxelt)
+    error->all(FLERR,"Too many elements extracted from MEAM library. "
+                      "Increase 'maxelt' in meam.h and recompile.");
   elements = new char*[nelements];
   mass = new double[nelements];
 
diff --git a/src/USER-MESO/pair_edpd.cpp b/src/USER-MESO/pair_edpd.cpp
index 1f6222944a27725acb523e7b3b0242b887227844..e428b028223b2221c5629316290838517b88df07 100644
--- a/src/USER-MESO/pair_edpd.cpp
+++ b/src/USER-MESO/pair_edpd.cpp
@@ -99,8 +99,7 @@ PairEDPD::~PairEDPD()
 void PairEDPD::compute(int eflag, int vflag)
 {
   double evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-MESO/pair_mdpd.cpp b/src/USER-MESO/pair_mdpd.cpp
index f9acd3dbe1eb3c74fa2d0f1af87e8ce4ae42e80f..4102499d468e24e3f0b95d58b161e82a42d08802 100644
--- a/src/USER-MESO/pair_mdpd.cpp
+++ b/src/USER-MESO/pair_mdpd.cpp
@@ -88,8 +88,7 @@ void PairMDPD::compute(int eflag, int vflag)
   double rhoi, rhoj;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-MESO/pair_mdpd_rhosum.cpp b/src/USER-MESO/pair_mdpd_rhosum.cpp
index 806a63f898685c731b6a79d1937e102a1e184a26..2fd238088c92d9e07d8291455e8abfbafba1f359 100644
--- a/src/USER-MESO/pair_mdpd_rhosum.cpp
+++ b/src/USER-MESO/pair_mdpd_rhosum.cpp
@@ -84,10 +84,7 @@ void PairMDPDRhoSum::compute(int eflag, int vflag) {
   // neighbor list variables
   int inum, *ilist, *numneigh, **firstneigh;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **x = atom->x;
   double *rho = atom->rho;
diff --git a/src/USER-MESO/pair_tdpd.cpp b/src/USER-MESO/pair_tdpd.cpp
index a41282c0d8b624d99cfa518a129e826411567a74..7df9d6d163e677f27307f6c8d1b760ebe4ce6ad6 100644
--- a/src/USER-MESO/pair_tdpd.cpp
+++ b/src/USER-MESO/pair_tdpd.cpp
@@ -91,8 +91,7 @@ PairTDPD::~PairTDPD()
 void PairTDPD::compute(int eflag, int vflag)
 {
   double evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-MGPT/pair_mgpt.cpp b/src/USER-MGPT/pair_mgpt.cpp
index 347bc9cc691a2c482c0b54fdca1c5760728bdff9..91c624eec5c5017308aefe7903c290b84b43a61d 100644
--- a/src/USER-MGPT/pair_mgpt.cpp
+++ b/src/USER-MGPT/pair_mgpt.cpp
@@ -1673,8 +1673,7 @@ void PairMGPT::compute_x(const int *nnei,const int * const *nlist,
 
 void PairMGPT::compute(int eflag, int vflag)
 {
-  if(eflag || vflag) ev_setup(eflag, vflag);
-  else evflag = vflag_fdotr = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag, vflag);
 
   int newton_pair = force->newton_pair;
   double e_s,e_p,e_t,e_q;
diff --git a/src/USER-MISC/README b/src/USER-MISC/README
index 13e406d42f14bb103cb73118ee69a5f724ab7f09..219e19673d30923bb1bb3f59a1c0ef987fc2312c 100644
--- a/src/USER-MISC/README
+++ b/src/USER-MISC/README
@@ -45,6 +45,7 @@ dihedral_style table/cut, Mike Salerno, ksalerno@pha.jhu.edu, 11 May 18
 fix addtorque, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
 fix ave/correlate/long, Jorge Ramirez (UPM Madrid), jorge.ramirez at upm.es, 21 Oct 2015
 fix bond/react, Jacob Gissinger (CU Boulder), info at disarmmd.org, 24 Feb 2018
+fix electron/stopping, Konstantin Avchaciov, k.avchachov at gmail.com, 26 Feb 2019
 fix ffl, David Wilkins (EPFL Lausanne), david.wilkins @ epfl.ch, 28 Sep 2018
 fix filter/corotate, Lukas Fath (KIT), lukas.fath at kit.edu, 15 Mar 2017
 fix flow/gauss, Joel Eaves (CU Boulder), Joel.Eaves@Colorado.edu, 23 Aug 2016
@@ -67,14 +68,19 @@ improper_style distance, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
 pair_style agni, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 16
 pair_style buck/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
 pair_style coul/diel, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
+pair_style coul/shield, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
 pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11
+pair_style e3b, Steven Strong (U Chicago), stevene.strong at gmail dot com, 16 Apr 19
+pair_style drip, Mingjian Wen, University of Minnesota, wenxx151 at umn.edu, 17 Apr 19
 pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11
 pair_style extep, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Nov 17
 pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
+pair_style ilp/graphene/hbn, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
 pair_style lebedeva/z, Zbigniew Koziol (National Center for Nuclear Research), softquake at gmail dot com, 4 Jan 19
 pair_style lennard/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
 pair_style list, Axel Kohlmeyer (Temple U), akohlmey at gmail.com, 1 Jun 13
 pair_style lj/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
+pair_style kolmogorov/crespi/full, Wengen Ouyang (Tel Aviv University), w.g.ouyang at gmail dot com, 30 Mar 18
 pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17
 pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12
 pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12
diff --git a/src/USER-MISC/angle_cosine_shift.cpp b/src/USER-MISC/angle_cosine_shift.cpp
index a361db497081441da026375482b8dcaef575bd4e..18c87c81e3f440f517dd6a3b25ccd3fb5c77ed55 100644
--- a/src/USER-MISC/angle_cosine_shift.cpp
+++ b/src/USER-MISC/angle_cosine_shift.cpp
@@ -62,8 +62,7 @@ void AngleCosineShift::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,s,cps,kcos,ksin,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/angle_cosine_shift_exp.cpp b/src/USER-MISC/angle_cosine_shift_exp.cpp
index c87c73171a9509fc8895ab9ac1caaa58f0b64dde..8c6282de206202b3d4dd94aeb920545ea1ff9c3e 100644
--- a/src/USER-MISC/angle_cosine_shift_exp.cpp
+++ b/src/USER-MISC/angle_cosine_shift_exp.cpp
@@ -72,8 +72,7 @@ void AngleCosineShiftExp::compute(int eflag, int vflag)
   double exp2,aa,uumin,cccpsss,cssmscc;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/angle_dipole.cpp b/src/USER-MISC/angle_dipole.cpp
index c4186da472b58d51c2a1ae5ec94518ae40065c5a..781da46869ebdcbd6c4e656223e92619075496ea 100644
--- a/src/USER-MISC/angle_dipole.cpp
+++ b/src/USER-MISC/angle_dipole.cpp
@@ -59,8 +59,7 @@ void AngleDipole::compute(int eflag, int vflag)
   double r,cosGamma,deltaGamma,kdg,rmu;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x; // position vector
   double **mu = atom->mu; // point-dipole components and moment magnitude
diff --git a/src/USER-MISC/angle_fourier.cpp b/src/USER-MISC/angle_fourier.cpp
index e6cc1f1a7e9945a55091002529051649f78186a9..8f5074ff5d85fbf4a1412280e109e6f077b31087 100644
--- a/src/USER-MISC/angle_fourier.cpp
+++ b/src/USER-MISC/angle_fourier.cpp
@@ -67,8 +67,7 @@ void AngleFourier::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,c2,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/angle_fourier_simple.cpp b/src/USER-MISC/angle_fourier_simple.cpp
index 8464fe815c9db0e9948ec9a0c7185a4409edf6e3..615556bbe7cc3ded511c3fb045d7288cf72ce70a 100644
--- a/src/USER-MISC/angle_fourier_simple.cpp
+++ b/src/USER-MISC/angle_fourier_simple.cpp
@@ -65,8 +65,7 @@ void AngleFourierSimple::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,cn,th,nth,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/angle_quartic.cpp b/src/USER-MISC/angle_quartic.cpp
index 356f2df5d478683e4c0be128ff589f0de0a54047..21a96100aa9c9e3abc1bcf86c016ec2ad1e0dada 100644
--- a/src/USER-MISC/angle_quartic.cpp
+++ b/src/USER-MISC/angle_quartic.cpp
@@ -61,8 +61,7 @@ void AngleQuartic::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,s,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/bond_harmonic_shift.cpp b/src/USER-MISC/bond_harmonic_shift.cpp
index b34f71e8885ffce2e25154a7e2985eb739a1dfd3..c7e4444ccefa565918a7b2d8e3b6dd111b37874c 100644
--- a/src/USER-MISC/bond_harmonic_shift.cpp
+++ b/src/USER-MISC/bond_harmonic_shift.cpp
@@ -53,8 +53,7 @@ void BondHarmonicShift::compute(int eflag, int vflag)
   double rsq,r,dr,rk;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/bond_harmonic_shift_cut.cpp b/src/USER-MISC/bond_harmonic_shift_cut.cpp
index a58df7087818de4a2c48f4624c3915d3b0988311..5b396f5d725047c07927af0f2fe250ccda85403e 100644
--- a/src/USER-MISC/bond_harmonic_shift_cut.cpp
+++ b/src/USER-MISC/bond_harmonic_shift_cut.cpp
@@ -53,8 +53,7 @@ void BondHarmonicShiftCut::compute(int eflag, int vflag)
   double rsq,r,dr,rk;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/compute_pressure_cylinder.cpp b/src/USER-MISC/compute_pressure_cylinder.cpp
index 6fcd343e38d643163a2cb7b4182eddf44f73f169..c250eaf677ccd2b7fa2491c5302bc12ae2a18e98 100644
--- a/src/USER-MISC/compute_pressure_cylinder.cpp
+++ b/src/USER-MISC/compute_pressure_cylinder.cpp
@@ -63,7 +63,7 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
   Rmax=force->numeric(FLERR,arg[5]);
   bin_width=force->numeric(FLERR,arg[6]);
 
-  if ((bin_width <= 0.0) || (bin_width < Rmax))
+  if ((bin_width <= 0.0) || (bin_width > Rmax))
     error->all(FLERR,"Illegal compute pressure/cylinder command");
   if ((zhi < zlo) || ((zhi-zlo) < bin_width))
     error->all(FLERR,"Illegal compute pressure/cylinder command");
@@ -76,7 +76,7 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
   // NOTE: at 2^22 = 4.2M bins, we will be close to exhausting allocatable
   // memory on a 32-bit environment. so we use this as an upper limit.
 
-  if ((nbins < 1) || (nzbins < 1) || (nbins > 2>>22) || (nbins > 2>>22))
+  if ((nbins < 1) || (nzbins < 1) || (nbins > 2<<22) || (nzbins > 2<<22))
     error->all(FLERR,"Illegal compute pressure/cylinder command");
 
   array_flag=1;
diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.cpp b/src/USER-MISC/dihedral_cosine_shift_exp.cpp
index 82da173f8e2c3d14bce6344f0f9d8080effd9594..c411ea815007587c93baf53b283dc38d06e4ebf1 100644
--- a/src/USER-MISC/dihedral_cosine_shift_exp.cpp
+++ b/src/USER-MISC/dihedral_cosine_shift_exp.cpp
@@ -36,7 +36,10 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralCosineShiftExp::DihedralCosineShiftExp(LAMMPS *lmp) : Dihedral(lmp) {}
+DihedralCosineShiftExp::DihedralCosineShiftExp(LAMMPS *lmp) : Dihedral(lmp)
+{
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -68,8 +71,7 @@ void DihedralCosineShiftExp::compute(int eflag, int vflag)
   double cccpsss,cssmscc,exp2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/dihedral_fourier.cpp b/src/USER-MISC/dihedral_fourier.cpp
index 7c405ee28c3378c12a4ba6d28b44b366a1b2abb5..af86259c01e5fde04d509faecd4583d72497f518 100644
--- a/src/USER-MISC/dihedral_fourier.cpp
+++ b/src/USER-MISC/dihedral_fourier.cpp
@@ -79,8 +79,7 @@ void DihedralFourier::compute(int eflag, int vflag)
   double dtfx,dtfy,dtfz,dtgx,dtgy,dtgz,dthx,dthy,dthz;
   double c,s,p_,sx2,sy2,sz2;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/dihedral_nharmonic.cpp b/src/USER-MISC/dihedral_nharmonic.cpp
index f8e885068070e3d7bbbf1601a7654e7331b5aa70..ea2b76f4152b6af03b555e9c3e6b6c60deebf4c1 100644
--- a/src/USER-MISC/dihedral_nharmonic.cpp
+++ b/src/USER-MISC/dihedral_nharmonic.cpp
@@ -35,7 +35,8 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralNHarmonic::DihedralNHarmonic(LAMMPS *lmp) : Dihedral(lmp) {
+DihedralNHarmonic::DihedralNHarmonic(LAMMPS *lmp) : Dihedral(lmp)
+{
   writedata = 1;
 }
 
@@ -66,8 +67,7 @@ void DihedralNHarmonic::compute(int eflag, int vflag)
   double s2,sin2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/dihedral_quadratic.cpp b/src/USER-MISC/dihedral_quadratic.cpp
index 1b64b52faf34e50792105314277727edeb9efb1b..8436e73c5c3ecbee0be18d4982841546377d254e 100644
--- a/src/USER-MISC/dihedral_quadratic.cpp
+++ b/src/USER-MISC/dihedral_quadratic.cpp
@@ -38,7 +38,10 @@ using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralQuadratic::DihedralQuadratic(LAMMPS *lmp) : Dihedral(lmp) {}
+DihedralQuadratic::DihedralQuadratic(LAMMPS *lmp) : Dihedral(lmp)
+{
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -65,8 +68,7 @@ void DihedralQuadratic::compute(int eflag, int vflag)
   double s2,cx,cy,cz,cmag,dx,phi,si,siinv,sin2;
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/dihedral_spherical.cpp b/src/USER-MISC/dihedral_spherical.cpp
index 77fa885b7a44bf7ecf87d64f504f1da08ef35916..3b30121551be6b1e9dda04b62734440e6477c254 100644
--- a/src/USER-MISC/dihedral_spherical.cpp
+++ b/src/USER-MISC/dihedral_spherical.cpp
@@ -41,7 +41,10 @@ using namespace MathExtra;
 
 /* ---------------------------------------------------------------------- */
 
-DihedralSpherical::DihedralSpherical(LAMMPS *lmp) : Dihedral(lmp) {}
+DihedralSpherical::DihedralSpherical(LAMMPS *lmp) : Dihedral(lmp)
+{
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -213,8 +216,7 @@ void DihedralSpherical::compute(int eflag, int vflag)
   //    perp34on23[d] = v34[d] - proj34on23[d]
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
 
   for (n = 0; n < ndihedrallist; n++) {
@@ -817,10 +819,11 @@ void DihedralSpherical::write_data(FILE *fp)
   for (int i = 1; i <= atom->ndihedraltypes; i++) {
     fprintf(fp,"%d %d ", i , nterms[i]);
     for (int j = 0; j < nterms[i]; j++) {
-      fprintf(fp, "%g %g %g %g %g %g %g %g %g ",
-              phi_mult[i][j],    phi_shift[i][j],    phi_offset[i][j],
-              theta1_mult[i][j], theta1_shift[i][j], theta1_offset[i][j],
-              theta2_mult[i][j], theta2_shift[i][j], theta2_offset[i][j]);
+      fprintf(fp, "%g %g %g %g %g %g %g %g %g %g ", Ccoeff[i][j],
+              phi_mult[i][j], phi_shift[i][j]*180.0/MY_PI, phi_offset[i][j],
+              theta1_mult[i][j], theta1_shift[i][j]*180.0/MY_PI,
+              theta1_offset[i][j], theta2_mult[i][j],
+              theta2_shift[i][j]*180.0/MY_PI, theta2_offset[i][j]);
     }
     fprintf(fp,"\n");
   }
diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp
index e221a54a828f0ff63700ebdc63f8703e2b492e20..a97ae3649f9d954403e0b0c7a36a914549051b3e 100644
--- a/src/USER-MISC/dihedral_table.cpp
+++ b/src/USER-MISC/dihedral_table.cpp
@@ -549,8 +549,7 @@ void DihedralTable::compute(int eflag, int vflag)
 
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
 
   for (n = 0; n < ndihedrallist; n++) {
diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp
index 6ebe094e504fce2cf3607f265206673e1dc01568..18a645cd7555a49a8f88537f872d090fb8582e27 100644
--- a/src/USER-MISC/dihedral_table_cut.cpp
+++ b/src/USER-MISC/dihedral_table_cut.cpp
@@ -425,17 +425,6 @@ DihedralTableCut::DihedralTableCut(LAMMPS *lmp) : Dihedral(lmp)
 DihedralTableCut::~DihedralTableCut()
 {
   if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(setflag_d);
-    memory->destroy(setflag_aat);
-
-    memory->destroy(k1);
-    memory->destroy(k2);
-    memory->destroy(k3);
-    memory->destroy(phi1);
-    memory->destroy(phi2);
-    memory->destroy(phi3);
-
     memory->destroy(aat_k);
     memory->destroy(aat_theta0_1);
     memory->destroy(aat_theta0_2);
@@ -472,8 +461,7 @@ void DihedralTableCut::compute(int eflag, int vflag)
   double fabcd[4][3];
 
   edihedral = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -761,27 +749,15 @@ void DihedralTableCut::allocate()
   allocated = 1;
   int n = atom->ndihedraltypes;
 
-  memory->create(k1,n+1,"dihedral:k1");
-  memory->create(k2,n+1,"dihedral:k2");
-  memory->create(k3,n+1,"dihedral:k3");
-  memory->create(phi1,n+1,"dihedral:phi1");
-  memory->create(phi2,n+1,"dihedral:phi2");
-  memory->create(phi3,n+1,"dihedral:phi3");
-
   memory->create(aat_k,n+1,"dihedral:aat_k");
   memory->create(aat_theta0_1,n+1,"dihedral:aat_theta0_1");
   memory->create(aat_theta0_2,n+1,"dihedral:aat_theta0_2");
 
-  memory->create(setflag,n+1,"dihedral:setflag");
-  memory->create(setflag_d,n+1,"dihedral:setflag_d");
-  memory->create(setflag_aat,n+1,"dihedral:setflag_aat");
-
   memory->create(tabindex,n+1,"dihedral:tabindex");
-  //memory->create(phi0,n+1,"dihedral:phi0"); <-equilibrium angles not supported
   memory->create(setflag,n+1,"dihedral:setflag");
 
   for (int i = 1; i <= n; i++)
-    setflag[i] = setflag_d[i] = setflag_aat[i] = 0;
+    setflag[i] = 0;
 }
 
 void DihedralTableCut::settings(int narg, char **arg)
@@ -824,9 +800,6 @@ void DihedralTableCut::coeff(int narg, char **arg)
   int ilo,ihi;
   force->bounds(FLERR,arg[0],atom->ndihedraltypes,ilo,ihi);
 
-  int count = 0;
-
-
   double k_one = force->numeric(FLERR,arg[2]);
   double theta0_1_one = force->numeric(FLERR,arg[3]);
   double theta0_2_one = force->numeric(FLERR,arg[4]);
@@ -837,8 +810,6 @@ void DihedralTableCut::coeff(int narg, char **arg)
     aat_k[i] = k_one;
     aat_theta0_1[i] = theta0_1_one/180.0 * MY_PI;
     aat_theta0_2[i] = theta0_2_one/180.0 * MY_PI;
-    setflag_aat[i] = 1;
-    count++;
   }
 
   int me;
@@ -998,8 +969,7 @@ void DihedralTableCut::coeff(int narg, char **arg)
             //  To be nice and report something, I do the same thing here.)
             cyc_splintD(tb->phi, tb->e, tb->e2, tablength, MY_2PI,phi);
           f = -dU_dphi;
-        }
-        else
+        } else
           // Otherwise we calculated the tb->f[] array.  Report its contents.
           f = tb->f[i];
         if (tb->use_degrees) {
@@ -1015,9 +985,8 @@ void DihedralTableCut::coeff(int narg, char **arg)
   } // if (me == 0)
 
   // store ptr to table in tabindex
-  count = 0;
-  for (int i = ilo; i <= ihi; i++)
-  {
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
     tabindex[i] = ntables;
     //phi0[i] = tb->phi0; <- equilibrium dihedral angles not supported
     setflag[i] = 1;
@@ -1025,12 +994,7 @@ void DihedralTableCut::coeff(int narg, char **arg)
   }
   ntables++;
 
-
   if (count == 0) error->all(FLERR,"Incorrect args for dihedral coefficients");
-
-  for (int i = ilo; i <= ihi; i++)
-    if (setflag_d[i] == 1 && setflag_aat[i] == 1 )
-      setflag[i] = 1;
 }
 
 /* ----------------------------------------------------------------------
@@ -1041,16 +1005,6 @@ void DihedralTableCut::write_restart(FILE *fp)
 {
   fwrite(&tabstyle,sizeof(int),1,fp);
   fwrite(&tablength,sizeof(int),1,fp);
-  fwrite(&k1[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&k2[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&k3[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&phi1[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&phi2[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&phi3[1],sizeof(double),atom->ndihedraltypes,fp);
-
-  fwrite(&aat_k[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -1064,33 +1018,10 @@ void DihedralTableCut::read_restart(FILE *fp)
   if (comm->me == 0) {
     fread(&tabstyle,sizeof(int),1,fp);
     fread(&tablength,sizeof(int),1,fp);
-    fread(&k1[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&k2[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&k3[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&phi1[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&phi2[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&phi3[1],sizeof(double),atom->ndihedraltypes,fp);
-
-    fread(&aat_k[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp);
   }
 
-  MPI_Bcast(&k1[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&k2[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&k3[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&phi1[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&phi2[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&phi3[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-
-  MPI_Bcast(&aat_k[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&aat_theta0_1[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&aat_theta0_2[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
   MPI_Bcast(&tabstyle,1,MPI_INT,0,world);
   MPI_Bcast(&tablength,1,MPI_INT,0,world);
-
-  allocate();
-  for (int i = 1; i <= atom->ndihedraltypes; i++) setflag[i] = 1;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1474,22 +1405,3 @@ void DihedralTableCut::bcast_table(Table *tb)
 }
 
 
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to data file
-------------------------------------------------------------------------- */
-
-void DihedralTableCut::write_data(FILE *fp)
-{
-  for (int i = 1; i <= atom->ndihedraltypes; i++)
-    fprintf(fp,"%d %g %g %g %g %g %g\n",i,
-            k1[i],phi1[i]*180.0/MY_PI,
-            k2[i],phi2[i]*180.0/MY_PI,
-            k3[i],phi3[i]*180.0/MY_PI);
-
-  fprintf(fp,"\nAngleAngleTorsion Coeffs\n\n");
-  for (int i = 1; i <= atom->ndihedraltypes; i++)
-    fprintf(fp,"%d %g %g %g\n",i,aat_k[i],
-            aat_theta0_1[i]*180.0/MY_PI,aat_theta0_2[i]*180.0/MY_PI);
-
-}
diff --git a/src/USER-MISC/dihedral_table_cut.h b/src/USER-MISC/dihedral_table_cut.h
index d01903c88b75d722aa2b5861a6cba4e00817ed87..dd645bedda2e4293e1ff7e2787c623cc3bb83553 100644
--- a/src/USER-MISC/dihedral_table_cut.h
+++ b/src/USER-MISC/dihedral_table_cut.h
@@ -20,7 +20,6 @@ DihedralStyle(table/cut,DihedralTableCut)
 #ifndef LMP_DIHEDRAL_TABLE_CUT_H
 #define LMP_DIHEDRAL_TABLE_CUT_H
 
-#include <stdio.h>
 #include "dihedral.h"
 
 namespace LAMMPS_NS {
@@ -34,26 +33,18 @@ class DihedralTableCut : public Dihedral {
   void coeff(int, char **);
   void write_restart(FILE *);
   void read_restart(FILE *);
-  void write_data(FILE *);
-  double single(int type, int i1, int i2, int i3, int i4);
 
  protected:
-  double *k1,*k2,*k3;
-  double *phi1,*phi2,*phi3;
   double *aat_k,*aat_theta0_1,*aat_theta0_2;
-  int *setflag_d;
-  int *setflag_aat;
 
   void allocate();
 
   int tabstyle,tablength;
-  // double *phi0;       <- equilibrium angles not supported
   char *checkU_fname;
   char *checkF_fname;
 
   struct Table {
     int ninput;
-    //double phi0;      <-equilibrium angles not supported
     int f_unspecified; // boolean (but MPI does not like type "bool")
     int use_degrees;   // boolean (but MPI does not like type "bool")
     double *phifile,*efile,*ffile;
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index c5df3ed438cff1c96429d90bcdb0632df7325dbc..c641912db61cf01ab2b261e30f0e35d283fdf724 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -157,6 +157,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
 
   // this looks excessive
   // the price of vectorization (all reactions in one command)?
+  memory->create(rxn_name,nreacts,MAXLINE,"bond/react:rxn_name");
   memory->create(nevery,nreacts,"bond/react:nevery");
   memory->create(cutsq,nreacts,2,"bond/react:cutsq");
   memory->create(unreacted_mol,nreacts,"bond/react:unreacted_mol");
@@ -207,8 +208,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
 
     iarg++;
 
-    iarg++; // read in reaction name here
-    //for example, rxn_name[rxn] = ...
+    rxn_name[rxn] = arg[iarg++];
 
     int igroup = group->find(arg[iarg++]);
     if (igroup == -1) error->all(FLERR,"Could not find fix group ID");
@@ -308,8 +308,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
     onemol->check_attributes(0);
     twomol->check_attributes(0);
     if (onemol->natoms != twomol->natoms)
-      error->all(FLERR,"Post-reacted template must contain the same "
-                       "number of atoms as the pre-reacted template");
+      error->all(FLERR,"Bond/react: Reaction templates must contain the same number of atoms");
     get_molxspecials();
     read(i);
     fclose(fp);
@@ -324,7 +323,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
   delete [] files;
 
   if (atom->molecular != 1)
-    error->all(FLERR,"Cannot use fix bond/react with non-molecular systems");
+    error->all(FLERR,"Bond/react: Cannot use fix bond/react with non-molecular systems");
 
   // check if bonding atoms are 1-2, 1-3, or 1-4 bonded neighbors
   // if so, we don't need non-bonded neighbor list
@@ -457,8 +456,6 @@ FixBondReact::~FixBondReact()
   memory->destroy(global_mega_glove);
 
   if (stabilization_flag == 1) {
-    delete [] exclude_group;
-
     // check nfix in case all fixes have already been deleted
     if (id_fix1 && modify->nfix) modify->delete_fix(id_fix1);
     delete [] id_fix1;
@@ -473,6 +470,20 @@ FixBondReact::~FixBondReact()
   delete [] statted_id;
   delete [] guess_branch;
   delete [] pioneer_count;
+
+  if (group) {
+    char **newarg;
+    newarg = new char*[2];
+    newarg[0] = master_group;
+    newarg[1] = (char *) "delete";
+    group->assign(2,newarg);
+    if (stabilization_flag == 1) {
+      newarg[0] = exclude_group;
+      group->assign(2,newarg);
+      delete [] exclude_group;
+    }
+    delete [] newarg;
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -653,7 +664,7 @@ void FixBondReact::init()
   // check cutoff for iatomtype,jatomtype
   for (int i = 0; i < nreacts; i++) {
     if (force->pair == NULL || cutsq[i][1] > force->pair->cutsq[iatomtype[i]][jatomtype[i]])
-      error->all(FLERR,"Fix bond/react cutoff is longer than pairwise cutoff");
+      error->all(FLERR,"Bond/react: Fix bond/react cutoff is longer than pairwise cutoff");
   }
 
   // need a half neighbor list, built every Nevery steps
@@ -1162,7 +1173,7 @@ void FixBondReact::superimpose_algorithm()
         // let's go ahead and catch the simplest of hangs
         //if (hang_catch > onemol->natoms*4)
         if (hang_catch > atom->nlocal*30) {
-          error->one(FLERR,"Excessive iteration of superimpose algorithm");
+          error->one(FLERR,"Bond/react: Excessive iteration of superimpose algorithm");
         }
       }
     }
@@ -1275,7 +1286,7 @@ void FixBondReact::make_a_guess()
 
   for (int i = 0; i < nxspecial[atom->map(glove[pion][1])][0]; i++) {
     if (atom->map(xspecial[atom->map(glove[pion][1])][i]) < 0) {
-      error->all(FLERR,"Fix bond/react needs ghost atoms from further away1"); // parallel issues.
+      error->all(FLERR,"Bond/react: Fix bond/react needs ghost atoms from further away1"); // parallel issues.
     }
     if (i_limit_tags[(int)atom->map(xspecial[atom->map(glove[pion][1])][i])] != 0) {
       status = GUESSFAIL;
@@ -1386,7 +1397,7 @@ void FixBondReact::check_a_neighbor()
 
             //another check for ghost atoms. perhaps remove the one in make_a_guess
             if (atom->map(glove[(int)onemol_xspecial[pion][neigh]-1][1]) < 0) {
-              error->all(FLERR,"Fix bond/react needs ghost atoms from further away2");
+              error->all(FLERR,"Bond/react: Fix bond/react needs ghost atoms from further away2");
             }
 
             for (int j = 0; j < onemol_nxspecial[onemol_xspecial[pion][neigh]-1][0]; j++) {
@@ -1438,7 +1449,7 @@ void FixBondReact::check_a_neighbor()
 
         //another check for ghost atoms. perhaps remove the one in make_a_guess
         if (atom->map(glove[(int)onemol_xspecial[pion][neigh]-1][1]) < 0) {
-          error->all(FLERR,"Fix bond/react needs ghost atoms from further away3");
+          error->all(FLERR,"Bond/react: Fix bond/react needs ghost atoms from further away3");
         }
 
         for (int ii = 0; ii < onemol_nxspecial[onemol_xspecial[pion][neigh]-1][0]; ii++) {
@@ -1480,7 +1491,7 @@ void FixBondReact::crosscheck_the_neighbor()
         glove[onemol_xspecial[pion][trace]-1][0] == 0) {
 
       if (avail_guesses == MAXGUESS) {
-        error->warning(FLERR,"Fix bond/react failed because MAXGUESS set too small. ask developer for info");
+        error->warning(FLERR,"Bond/react: Fix bond/react failed because MAXGUESS set too small. ask developer for info");
         status = GUESSFAIL;
         return;
       }
@@ -1549,7 +1560,7 @@ void FixBondReact::inner_crosscheck_loop()
 
   //another check for ghost atoms. perhaps remove the one in make_a_guess
   if (atom->map(glove[(int)onemol_xspecial[pion][neigh]-1][1]) < 0) {
-    error->all(FLERR,"Fix bond/react needs ghost atoms from further away4");
+    error->all(FLERR,"Bond/react: Fix bond/react needs ghost atoms from further away4");
   }
 
   if (guess_branch[avail_guesses-1] == 0) avail_guesses--;
@@ -1709,8 +1720,11 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
   // bad molecule templates check
   // if atoms change types, but aren't landlocked, that's bad
   for (int i = 0; i < twomol->natoms; i++) {
-    if (twomol->type[i] != onemol->type[equivalences[i][1][myrxn]-1] && landlocked_atoms[i][myrxn] == 0)
-      error->one(FLERR,"Atom affected by reaction too close to template edge");
+    if (twomol->type[i] != onemol->type[equivalences[i][1][myrxn]-1] && landlocked_atoms[i][myrxn] == 0) {
+      char str[128];
+      snprintf(str,128,"Bond/react: Atom affected by reaction %s too close to template edge",rxn_name[myrxn]);
+      error->all(FLERR,str);
+    }
   }
 
   // additionally, if a bond changes type, but neither involved atom is landlocked, bad
@@ -1726,7 +1740,9 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
             onemol_batom = onemol->bond_atom[onemol_atomi-1][m];
             if (onemol_batom == equivalences[twomol_atomj-1][1][myrxn]) {
               if (twomol->bond_type[i][j] != onemol->bond_type[onemol_atomi-1][m]) {
-                error->one(FLERR,"Bond type affected by reaction too close to template edge");
+                char str[128];
+                snprintf(str,128,"Bond/react: Atom affected by reaction %s too close to template edge",rxn_name[myrxn]);
+                error->all(FLERR,str);
               }
             }
           }
@@ -1736,7 +1752,9 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
               onemol_batom = onemol->bond_atom[onemol_atomj-1][m];
               if (onemol_batom == equivalences[i][1][myrxn]) {
                 if (twomol->bond_type[i][j] != onemol->bond_type[onemol_atomj-1][m]) {
-                  error->one(FLERR,"Bond type affected by reaction too close to template edge");
+                  char str[128];
+                  snprintf(str,128,"Bond/react: Atom affected by reaction %s too close to template edge",rxn_name[myrxn]);
+                  error->all(FLERR,str);
                 }
               }
             }
@@ -1752,7 +1770,7 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
       int ii = reverse_equiv[i][1][myrxn] - 1;
       for (int j = 0; j < twomol_nxspecial[ii][0]; j++) {
         if (delete_atoms[equivalences[twomol_xspecial[ii][j]-1][1][myrxn]-1][myrxn] == 0) {
-         error->one(FLERR,"A deleted atom cannot remain bonded to an atom that is not deleted");
+         error->all(FLERR,"Bond/react: A deleted atom cannot remain bonded to an atom that is not deleted");
         }
       }
     }
@@ -1763,7 +1781,7 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
     for (int i = 0; i < twomol->natoms; i++) {
       if (twomol_nxspecial[i][0] != onemol_nxspecial[equivalences[i][1][myrxn]-1][0] && landlocked_atoms[i][myrxn] == 0) {
         char str[128];
-        sprintf(str,"An atom in 'react #%d' changes bond connectivity but not atom type",myrxn+1);
+        snprintf(str,128,"Bond/react: Atom affected by reaction %s too close to template edge",rxn_name[myrxn]);
         error->warning(FLERR,str);
         break;
       }
@@ -2251,7 +2269,7 @@ void FixBondReact::update_everything()
           if (landlocked_atoms[j][rxnID] == 1) {
             for (int k = 0; k < nspecial[atom->map(update_mega_glove[jj+1][i])][2]; k++) {
               if (atom->map(special[atom->map(update_mega_glove[jj+1][i])][k]) < 0) {
-                error->all(FLERR,"Fix bond/react needs ghost atoms from further away - most likely too many processors");
+                error->all(FLERR,"Bond/react: Fix bond/react needs ghost atoms from further away - most likely too many processors");
               }
             }
           }
@@ -2312,6 +2330,8 @@ void FixBondReact::update_everything()
                   nspecial[atom->map(update_mega_glove[jj+1][i])][1]++;
                   nspecial[atom->map(update_mega_glove[jj+1][i])][2]++;
                 }
+                if (nspecial[atom->map(update_mega_glove[jj+1][i])][2] > atom->maxspecial)
+                  error->one(FLERR,"Bond/react special bond generation overflow");
                 for (int n = nspecial[atom->map(update_mega_glove[jj+1][i])][2]-1; n > insert_num; n--) {
                   special[atom->map(update_mega_glove[jj+1][i])][n] = special[atom->map(update_mega_glove[jj+1][i])][n-1];
                 }
@@ -2373,6 +2393,8 @@ void FixBondReact::update_everything()
                 bond_type[atom->map(update_mega_glove[jj+1][i])][insert_num] = twomol->bond_type[j][p];
                 bond_atom[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->bond_atom[j][p]-1][1][rxnID]][i];
                 num_bond[atom->map(update_mega_glove[jj+1][i])]++;
+                if (num_bond[atom->map(update_mega_glove[jj+1][i])] > atom->bond_per_atom)
+                  error->one(FLERR,"Bond/react topology/atom exceed system topology/atom");
                 delta_bonds++;
               }
             }
@@ -2447,6 +2469,8 @@ void FixBondReact::update_everything()
                   angle_atom2[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->angle_atom2[j][p]-1][1][rxnID]][i];
                   angle_atom3[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->angle_atom3[j][p]-1][1][rxnID]][i];
                   num_angle[atom->map(update_mega_glove[jj+1][i])]++;
+                  if (num_angle[atom->map(update_mega_glove[jj+1][i])] > atom->angle_per_atom)
+                    error->one(FLERR,"Bond/react topology/atom exceed system topology/atom");
                   delta_angle++;
                 }
               }
@@ -2528,6 +2552,8 @@ void FixBondReact::update_everything()
                   dihedral_atom3[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->dihedral_atom3[j][p]-1][1][rxnID]][i];
                   dihedral_atom4[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->dihedral_atom4[j][p]-1][1][rxnID]][i];
                   num_dihedral[atom->map(update_mega_glove[jj+1][i])]++;
+                  if (num_dihedral[atom->map(update_mega_glove[jj+1][i])] > atom->dihedral_per_atom)
+                    error->one(FLERR,"Bond/react topology/atom exceed system topology/atom");
                   delta_dihed++;
                 }
               }
@@ -2609,6 +2635,8 @@ void FixBondReact::update_everything()
                   improper_atom3[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->improper_atom3[j][p]-1][1][rxnID]][i];
                   improper_atom4[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->improper_atom4[j][p]-1][1][rxnID]][i];
                   num_improper[atom->map(update_mega_glove[jj+1][i])]++;
+                  if (num_improper[atom->map(update_mega_glove[jj+1][i])] > atom->improper_per_atom)
+                    error->one(FLERR,"Bond/react topology/atom exceed system topology/atom");
                   delta_imprp++;
                 }
               }
@@ -2706,7 +2734,7 @@ void FixBondReact::read(int myrxn)
 
   // skip 1st line of file
   eof = fgets(line,MAXLINE,fp);
-  if (eof == NULL) error->one(FLERR,"Unexpected end of superimpose file");
+  if (eof == NULL) error->one(FLERR,"Bond/react: Unexpected end of superimpose file");
 
   // read header lines
   // skip blank lines or lines that start with "#"
@@ -2760,7 +2788,7 @@ void FixBondReact::read(int myrxn)
       DeleteAtoms(line, myrxn);
     } else if (strcmp(keyword,"Constraints") == 0) {
       Constraints(line, myrxn);
-    } else error->one(FLERR,"Unknown section in superimpose file");
+    } else error->one(FLERR,"Bond/react: Unknown section in map file");
 
     parse_keyword(1,line,keyword);
 
@@ -2768,13 +2796,13 @@ void FixBondReact::read(int myrxn)
 
   // error check
   if (bondflag == 0 || equivflag == 0)
-    error->all(FLERR,"Superimpose file missing BondingIDs or Equivalences section\n");
+    error->all(FLERR,"Bond/react: Map file missing BondingIDs or Equivalences section\n");
 
   if (update_edges_flag[myrxn] == 2 && customedgesflag == 0)
-    error->all(FLERR,"Map file must have a Custom Edges section when using 'update_edges custom'\n");
+    error->all(FLERR,"Bond/react: Map file must have a Custom Edges section when using 'update_edges custom'\n");
 
   if (update_edges_flag[myrxn] != 2 && customedgesflag == 1)
-    error->all(FLERR,"Specify 'update_edges custom' to include Custom Edges section in map file\n");
+    error->all(FLERR,"Bond/react: Specify 'update_edges custom' to include Custom Edges section in map file\n");
 }
 
 void FixBondReact::EdgeIDs(char *line, int myrxn)
@@ -2820,7 +2848,7 @@ void FixBondReact::CustomEdges(char *line, int myrxn)
     else if (strcmp(edgemode,"charges") == 0)
       custom_edges[tmp-1][myrxn] = 1;
     else
-      error->one(FLERR,"Illegal value in 'Custom Edges' section of map file");
+      error->one(FLERR,"Bond/react: Illegal value in 'Custom Edges' section of map file");
   }
   delete [] edgemode;
 }
@@ -2851,7 +2879,7 @@ void FixBondReact::Constraints(char *line, int myrxn)
       constraints[myrxn][3] = tmp[2]*tmp[2]; // using square of distance
       constraints[myrxn][4] = tmp[3]*tmp[3];
     } else
-      error->one(FLERR,"Illegal constraint type in 'Constraints' section of map file");
+      error->one(FLERR,"Bond/react: Illegal constraint type in 'Constraints' section of map file");
   }
   delete [] constraint_type;
 }
@@ -2861,7 +2889,7 @@ void FixBondReact::open(char *file)
   fp = fopen(file,"r");
   if (fp == NULL) {
     char str[128];
-    snprintf(str,128,"Cannot open superimpose file %s",file);
+    snprintf(str,128,"Bond/react: Cannot open map file %s",file);
     error->one(FLERR,str);
   }
 }
@@ -2874,7 +2902,7 @@ void FixBondReact::readline(char *line)
     else n = strlen(line) + 1;
   }
   MPI_Bcast(&n,1,MPI_INT,0,world);
-  if (n == 0) error->all(FLERR,"Unexpected end of superimpose file");
+  if (n == 0) error->all(FLERR,"Bond/react: Unexpected end of map file");
   MPI_Bcast(line,n,MPI_CHAR,0,world);
 }
 
diff --git a/src/USER-MISC/fix_bond_react.h b/src/USER-MISC/fix_bond_react.h
index 74d53b8f21265ff7726ee3971001a64e6de49a11..1ac8d624a926226c7ac49d596d7f951e07cd037f 100644
--- a/src/USER-MISC/fix_bond_react.h
+++ b/src/USER-MISC/fix_bond_react.h
@@ -67,6 +67,7 @@ class FixBondReact : public Fix {
   int *groupbits;
 
   int rxnID; // integer ID for identifying current bond/react
+  char **rxn_name; // name of reaction
   int *reaction_count;
   int *reaction_count_total;
   int nmax; // max num local atoms
@@ -189,47 +190,60 @@ Self-explanatory.  Check the input script syntax and compare to the
 documentation for the command.  You can use -echo screen as a
 command-line option when running LAMMPS to see the offending line.
 
-E: Invalid exclude group name
+E: Bond/react: Cannot use fix bond/react with non-molecular systems
 
-Exclude group name should not previously be defined.
+Only systems with bonds that can be changed can be used. Atom_style
+template does not qualify.
 
-E: Cannot use fix bond/react with non-molecular systems
+E: Bond/react: Rmax cutoff is longer than pairwise cutoff
 
-Only systems with bonds that can be changed can be used.  Atom_style
-template does not qualify.
+This is not allowed because bond creation is done using the pairwise
+neighbor list.
 
-E: Fix bond/react cutoff is longer than pairwise cutoff
+E: Bond/react: Molecule template ID for fix bond/react does not exist
 
-This is not allowed because bond creation is done using the
-pairwise neighbor list.
+A valid molecule template must have been created with the molecule
+command.
 
-E: Molecule template ID for fix bond/react does not exist
+E: Bond/react: Reaction templates must contain the same number of atoms
 
-A valid molecule template must have been created with the molecule command.
+There should be a one-to-one correspondence between atoms in the
+pre-reacted and post-reacted templates, as specified by the map file.
 
-E: Superimpose file errors:
+E: Bond/react: Unknown section in map file
 
-Please ensure superimpose file is properly formatted.
+Please ensure reaction map files are properly formatted.
 
-E: Atom affected by reaction too close to template edge
+E or W: Bond/react: Atom affected by reaction %s too close to template edge
 
-This means an atom which changes type during the reaction is too close
-to an 'edge' atom defined in the superimpose file. This could cause incorrect
-assignment of bonds, angle, etc. Generally, this means you must include
-more atoms in your templates, such that there are at least two atoms
-between each atom involved in the reaction and an edge atom.
+This means an atom which changes type or connectivity during the
+reaction is too close to an 'edge' atom defined in the superimpose
+file. This could cause incorrect assignment of bonds, angle, etc.
+Generally, this means you must include more atoms in your templates,
+such that there are at least two atoms between each atom involved in
+the reaction and an edge atom.
 
-E: Fix bond/react needs ghost atoms from farther away
+E: Bond/react: Fix bond/react needs ghost atoms from farther away
 
 This is because a processor needs to superimpose the entire unreacted
-molecule template onto simulation atoms it can 'see.' The comm_modify cutoff
-command can be used to extend the communication range.
+molecule template onto simulation atoms it knows about. The
+comm_modify cutoff command can be used to extend the communication
+range.
+
+E: Bond/react: A deleted atom cannot remain bonded to an atom that is not deleted
+
+Self-explanatory.
+
+E: Bond/react special bond generation overflow
+
+The number of special bonds per-atom created by a reaction exceeds the
+system setting. See the read_data or create_box command for how to
+specify this value.
 
-E: Excessive iteration of superimpose algorithm
+E: Bond/react topology/atom exceed system topology/atom
 
-You may have discovered a bug! But first, please double check that your
-molecule template atom types, bond types, etc. are consistent with your simulation,
-and that all atoms affected by a reaction are sufficently separated from edge atoms.
-If this issue persists, please contact the developer.
+The number of bonds, angles etc per-atom created by a reaction exceeds
+the system setting. See the read_data or create_box command for how to
+specify this value.
 
 */
diff --git a/src/USER-MISC/fix_electron_stopping.cpp b/src/USER-MISC/fix_electron_stopping.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0831ebcf898e1ec214f62ea27c47d18c9cb702f3
--- /dev/null
+++ b/src/USER-MISC/fix_electron_stopping.cpp
@@ -0,0 +1,303 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   Electronic stopping power
+   Contributing authors: K. Avchaciov and T. Metspalu
+   Information: k.avchachov@gmail.com
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstring>
+#include "fix_electron_stopping.h"
+#include "mpi.h"
+#include "atom.h"
+#include "update.h"
+#include "domain.h"
+#include "region.h"
+#include "group.h"
+#include "force.h"
+#include "fix.h"
+#include "memory.h"
+#include "comm.h"
+#include "error.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+#define MAXLINE 1024
+
+/* ---------------------------------------------------------------------- */
+
+FixElectronStopping::FixElectronStopping(LAMMPS *lmp, int narg, char **arg) :
+  Fix(lmp, narg, arg)
+{
+  scalar_flag = 1;  // Has compute_scalar
+  global_freq = 1;  // SeLoss computed every step
+  extscalar = 0;    // SeLoss compute_scalar is intensive
+  nevery = 1;       // Run fix every step
+
+
+  // args: 0 = fix ID, 1 = group ID,  2 = "electron/stopping"
+  //       3 = Ecut,   4 = file path
+  // optional rest: "region" <region name>
+  //                "minneigh" <min number of neighbors>
+
+  if (narg < 5) error->all(FLERR,
+      "Illegal fix electron/stopping command: too few arguments");
+
+  Ecut = force->numeric(FLERR, arg[3]);
+  if (Ecut <= 0.0) error->all(FLERR,
+      "Illegal fix electron/stopping command: Ecut <= 0");
+
+  int iarg = 5;
+  iregion = -1;
+  minneigh = 1;
+  bool minneighflag = false;
+
+  while (iarg < narg) {
+    if (strcmp(arg[iarg], "region") == 0) {
+      if (iregion >= 0) error->all(FLERR,
+          "Illegal fix electron/stopping command: region given twice");
+      if (iarg+2 > narg) error->all(FLERR,
+          "Illegal fix electron/stopping command: region name missing");
+      iregion = domain->find_region(arg[iarg+1]);
+      if (iregion < 0) error->all(FLERR,
+          "Region ID for fix electron/stopping does not exist");
+      iarg += 2;
+    }
+    else if (strcmp(arg[iarg], "minneigh") == 0) {
+      if (minneighflag) error->all(FLERR,
+          "Illegal fix electron/stopping command: minneigh given twice");
+      minneighflag = true;
+      if (iarg+2 > narg) error->all(FLERR,
+          "Illegal fix electron/stopping command: minneigh number missing");
+      minneigh = force->inumeric(FLERR, arg[iarg+1]);
+      if (minneigh < 0) error->all(FLERR,
+          "Illegal fix electron/stopping command: minneigh < 0");
+      iarg += 2;
+    }
+    else error->all(FLERR,
+        "Illegal fix electron/stopping command: unknown argument");
+  }
+
+
+  // Read the input file for energy ranges and stopping powers.
+  // First proc 0 reads the file, then bcast to others.
+  const int ncol = atom->ntypes + 1;
+  if (comm->me == 0) {
+    maxlines = 300;
+    memory->create(elstop_ranges, ncol, maxlines, "electron/stopping:table");
+    read_table(arg[4]);
+  }
+
+  MPI_Bcast(&maxlines, 1 , MPI_INT, 0, world);
+  MPI_Bcast(&table_entries, 1 , MPI_INT, 0, world);
+
+  if (comm->me != 0)
+    memory->create(elstop_ranges, ncol, maxlines, "electron/stopping:table");
+
+  MPI_Bcast(&elstop_ranges[0][0], ncol*maxlines, MPI_DOUBLE, 0, world);
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixElectronStopping::~FixElectronStopping()
+{
+  memory->destroy(elstop_ranges);
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixElectronStopping::setmask()
+{
+  int mask = 0;
+  mask |= POST_FORCE;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixElectronStopping::init()
+{
+  SeLoss_sync_flag = 0;
+  SeLoss = 0.0;
+
+  // need an occasional full neighbor list
+  int irequest = neighbor->request(this, instance_me);
+  neighbor->requests[irequest]->pair = 0;
+  neighbor->requests[irequest]->fix = 1;
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->occasional = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixElectronStopping::init_list(int /*id*/, NeighList *ptr)
+{
+  list = ptr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixElectronStopping::post_force(int /*vflag*/)
+{
+  SeLoss_sync_flag = 0;
+
+  double **x = atom->x;
+  double **v = atom->v;
+  double **f = atom->f;
+  double dt = update->dt;
+
+  int *type = atom->type;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  neighbor->build_one(list);
+  int *numneigh = list->numneigh;
+
+  for (int i = 0; i < nlocal; ++i) {
+
+    // Do fast checks first, only then the region check
+    if (!(mask[i] & groupbit)) continue;
+
+    // Avoid atoms outside bulk material
+    if (numneigh[i] < minneigh) continue;
+
+    int itype = type[i];
+    double massone = (atom->rmass) ? atom->rmass[i] : atom->mass[itype];
+    double v2 = v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2];
+    double energy = 0.5 * force->mvv2e * massone * v2;
+
+    if (energy < Ecut) continue;
+    if (energy < elstop_ranges[0][0]) continue;
+    if (energy > elstop_ranges[0][table_entries - 1]) error->one(FLERR,
+          "Atom kinetic energy too high for fix electron/stopping");
+
+    if (iregion >= 0) {
+      // Only apply in the given region
+      if (domain->regions[iregion]->match(x[i][0], x[i][1], x[i][2]) != 1)
+        continue;
+    }
+
+    // Binary search to find correct energy range
+    int iup = table_entries - 1;
+    int idown = 0;
+    while (true) {
+      int ihalf = idown + (iup - idown) / 2;
+      if (ihalf == idown) break;
+      if (elstop_ranges[0][ihalf] < energy) idown = ihalf;
+      else iup = ihalf;
+    }
+
+    double Se_lo = elstop_ranges[itype][idown];
+    double Se_hi = elstop_ranges[itype][iup];
+    double E_lo = elstop_ranges[0][idown];
+    double E_hi = elstop_ranges[0][iup];
+
+    // Get electronic stopping with a simple linear interpolation
+    double Se = (Se_hi - Se_lo) / (E_hi - E_lo) * (energy - E_lo) + Se_lo;
+
+    double vabs = sqrt(v2);
+    double factor = -Se / vabs;
+
+    f[i][0] += v[i][0] * factor;
+    f[i][1] += v[i][1] * factor;
+    f[i][2] += v[i][2] * factor;
+
+    SeLoss += Se * vabs * dt; // very rough approx
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+double FixElectronStopping::compute_scalar()
+{
+  // only sum across procs when changed since last call
+
+  if (SeLoss_sync_flag == 0) {
+    MPI_Allreduce(&SeLoss, &SeLoss_all, 1, MPI_DOUBLE, MPI_SUM, world);
+    SeLoss_sync_flag = 1;
+  }
+  return SeLoss_all;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixElectronStopping::read_table(const char *file)
+{
+  char line[MAXLINE];
+
+  FILE *fp = force->open_potential(file);
+  if (fp == NULL) {
+    char str[128];
+    snprintf(str, 128, "Cannot open stopping range table %s", file);
+    error->one(FLERR, str);
+  }
+
+  const int ncol = atom->ntypes + 1;
+
+  int l = 0;
+  while (true) {
+    if (fgets(line, MAXLINE, fp) == NULL) break; // end of file
+    if (line[0] == '#') continue; // comment
+
+    char *pch = strtok(line, " \t\n\r");
+    if (pch == NULL) continue; // blank line
+
+    if (l >= maxlines) grow_table();
+
+    int i = 0;
+    for ( ; i < ncol && pch != NULL; i++) {
+      elstop_ranges[i][l] = force->numeric(FLERR, pch);
+      pch = strtok(NULL, " \t\n\r");
+    }
+
+    if (i != ncol || pch != NULL) // too short or too long
+      error->one(FLERR, "fix electron/stopping: Invalid table line");
+
+    if (l >= 1 && elstop_ranges[0][l] <= elstop_ranges[0][l-1])
+      error->one(FLERR,
+          "fix electron/stopping: Energies must be in ascending order");
+
+    l++;
+  }
+  table_entries = l;
+
+  if (table_entries == 0)
+    error->one(FLERR, "Did not find any data in electron/stopping table file");
+
+  fclose(fp);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixElectronStopping::grow_table()
+{
+  const int ncol = atom->ntypes + 1;
+  int new_maxlines = 2 * maxlines;
+
+  double **new_array;
+  memory->create(new_array, ncol, new_maxlines, "electron/stopping:table");
+
+  for (int i = 0; i < ncol; i++)
+    memcpy(new_array[i], elstop_ranges[i], maxlines*sizeof(double));
+
+  memory->destroy(elstop_ranges);
+  elstop_ranges = new_array;
+  maxlines = new_maxlines;
+}
diff --git a/src/USER-MISC/fix_electron_stopping.h b/src/USER-MISC/fix_electron_stopping.h
new file mode 100644
index 0000000000000000000000000000000000000000..f0f47698c6fdd097768e5d2ee0264f6d133def89
--- /dev/null
+++ b/src/USER-MISC/fix_electron_stopping.h
@@ -0,0 +1,105 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   Electronic stopping power
+   Contributing authors: K. Avchaciov and T. Metspalu
+   Information: k.avchachov@gmail.com
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(electron/stopping,FixElectronStopping)
+
+#else
+
+#ifndef LMP_FIX_ELECTRON_STOPPING_H
+#define LMP_FIX_ELECTRON_STOPPING_H
+
+#include "fix.h"
+
+
+namespace LAMMPS_NS {
+
+class FixElectronStopping : public Fix {
+ public:
+  FixElectronStopping(class LAMMPS *, int, char **);
+  ~FixElectronStopping();
+  int setmask();
+  void init();
+  void post_force(int);
+  void init_list(int, class NeighList *);
+  double compute_scalar();
+
+ private:
+  void read_table(const char *);
+  void grow_table();
+
+  double Ecut;               // cutoff energy
+  double SeLoss, SeLoss_all; // electronic energy loss
+  int SeLoss_sync_flag;      // sync done since last change?
+
+  int maxlines;           // max number of lines in table
+  int table_entries;      // number of table entries actually read
+  double **elstop_ranges; // [ 0][i]: energies
+                          // [>0][i]: stopping powers per type
+
+  int iregion; // region index if used, else -1
+  int minneigh; // minimum number of neighbors
+
+  class NeighList *list;
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Region ID for fix electron/stopping does not exist
+
+Self-explanatory.
+
+E: Atom kinetic energy too high for fix electron/stopping
+
+The group given in the fix electron/stopping command includes an atom
+that has a kinetic energy higher than the largest energy in the stopping
+table. Reconsider whether the table is physically applicable to your system.
+
+E: Cannot open stopping range table ...
+
+The file containing the electronic stopping table could not be opened.
+Check the given path and the file's permissions.
+
+E: fix electron/stopping: Invalid table line
+
+A line in the stopping table file contained too many or too few columns.
+
+E: fix electron/stopping: Energies must be in ascending order
+
+The first column in the stopping table must be sorted from the smallest
+energy to the largest.
+
+E: Did not find any data in electronic stopping table file
+
+Parsing the stopping table file produced no lines that were identifiable
+as energies/stopping powers. Most likely the file is empty or contains
+only comments.
+
+*/
diff --git a/src/USER-MISC/fix_pimd.cpp b/src/USER-MISC/fix_pimd.cpp
index eba8ed5d0c7d86477c8ba288931ef7b2357abddb..3929d47d6b0fb627c6cb6332ac6f406286474a61 100644
--- a/src/USER-MISC/fix_pimd.cpp
+++ b/src/USER-MISC/fix_pimd.cpp
@@ -637,14 +637,14 @@ void FixPIMD::comm_exec(double **ptr)
     if(nsend > max_nsend)
     {
       max_nsend = nsend+200;
-      tag_send = (int*) memory->srealloc(tag_send, sizeof(int)*max_nsend, "FixPIMD:tag_send");
+      tag_send = (tagint*) memory->srealloc(tag_send, sizeof(tagint)*max_nsend, "FixPIMD:tag_send");
       buf_send = (double*) memory->srealloc(buf_send, sizeof(double)*max_nsend*3, "FixPIMD:x_send");
     }
 
     // send tags
 
-    MPI_Sendrecv( atom->tag, nlocal, MPI_INT, plan_send[iplan], 0,
-                  tag_send,  nsend,  MPI_INT, plan_recv[iplan], 0, universe->uworld, MPI_STATUS_IGNORE);
+    MPI_Sendrecv( atom->tag, nlocal, MPI_LMP_TAGINT, plan_send[iplan], 0,
+                  tag_send,  nsend,  MPI_LMP_TAGINT, plan_recv[iplan], 0, universe->uworld, MPI_STATUS_IGNORE);
 
     // wrap positions
 
@@ -661,7 +661,7 @@ void FixPIMD::comm_exec(double **ptr)
 
         sprintf(error_line, "Atom " TAGINT_FORMAT " is missing at world [%d] "
                 "rank [%d] required by  rank [%d] (" TAGINT_FORMAT ", "
-                TAGINT_FORMAT ", " TAGINT_FORMAT ").\n",tag_send[i],
+                TAGINT_FORMAT ", " TAGINT_FORMAT ").\n", tag_send[i],
                 universe->iworld, comm->me, plan_recv[iplan],
                 atom->tag[0], atom->tag[1], atom->tag[2]);
 
diff --git a/src/USER-MISC/fix_pimd.h b/src/USER-MISC/fix_pimd.h
index 411fa42c817a741e93e08f25d0f2b428dac1636d..c298af0b692095f551088b072b9e9c442520a7a4 100644
--- a/src/USER-MISC/fix_pimd.h
+++ b/src/USER-MISC/fix_pimd.h
@@ -68,7 +68,7 @@ class FixPIMD : public Fix {
   /* inter-partition communication */
 
   int max_nsend;
-  int* tag_send;
+  tagint* tag_send;
   double *buf_send;
 
   int max_nlocal;
diff --git a/src/USER-MISC/improper_cossq.cpp b/src/USER-MISC/improper_cossq.cpp
index 2483840e4234f37c14636937e4d1efe4d0498ced..c8eb0808fb3c759f21514b65ca9c283b210de4e8 100644
--- a/src/USER-MISC/improper_cossq.cpp
+++ b/src/USER-MISC/improper_cossq.cpp
@@ -63,8 +63,7 @@ void ImproperCossq::compute(int eflag, int vflag)
 
 
    eimproper = 0.0;
-   if (eflag || vflag) ev_setup(eflag,vflag);
-   else evflag = 0;
+   ev_init(eflag,vflag);
 
    double **x = atom->x;
    double **f = atom->f;
diff --git a/src/USER-MISC/improper_distance.cpp b/src/USER-MISC/improper_distance.cpp
index 2edf37ec5c7b712c3c46a3da330ed4482edcd91d..50babcc84eb0e6f537dca30e8cdac17650c8ada7 100644
--- a/src/USER-MISC/improper_distance.cpp
+++ b/src/USER-MISC/improper_distance.cpp
@@ -67,8 +67,7 @@ void ImproperDistance::compute(int eflag, int vflag)
   double domega,a;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/improper_fourier.cpp b/src/USER-MISC/improper_fourier.cpp
index 927478fa1a9245f640e40562d84033001bd2afba..288d888d122104d949bd45b3e86ab3351698c491 100644
--- a/src/USER-MISC/improper_fourier.cpp
+++ b/src/USER-MISC/improper_fourier.cpp
@@ -59,8 +59,7 @@ void ImproperFourier::compute(int eflag, int vflag)
   int i1,i2,i3,i4,n,type;
   double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   int **improperlist = neighbor->improperlist;
diff --git a/src/USER-MISC/improper_ring.cpp b/src/USER-MISC/improper_ring.cpp
index 70124b2ed1d91de9d900aacdea1c0c828303c7fc..36ba73af0f818f62d4fa179c4e4540e5780ce8f4 100644
--- a/src/USER-MISC/improper_ring.cpp
+++ b/src/USER-MISC/improper_ring.cpp
@@ -95,8 +95,7 @@ void ImproperRing::compute(int eflag, int vflag)
    double   cjiji, ckjji, ckjkj, fix, fiy, fiz, fjx, fjy, fjz, fkx, fky, fkz;
 
    eimproper = 0.0;
-   if (eflag || vflag) ev_setup(eflag,vflag);
-   else evflag = 0;
+   ev_init(eflag,vflag);
 
    /* References to simulation data. */
    double **x = atom->x;
diff --git a/src/USER-MISC/pair_agni.cpp b/src/USER-MISC/pair_agni.cpp
index 0277969d151e4e0a160ec79e498bb6e17c4175b2..21a6f1deee85c6c1ee7cd9b8b5a5a0c0da8aa6f8 100644
--- a/src/USER-MISC/pair_agni.cpp
+++ b/src/USER-MISC/pair_agni.cpp
@@ -136,8 +136,7 @@ void PairAGNI::compute(int eflag, int vflag)
   double rsq;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_buck_mdf.cpp b/src/USER-MISC/pair_buck_mdf.cpp
index 38de1c7c50a9b44532176393b665ab6f6b881e16..afd15d7fdb1ab40beb0382786b95bafdfab337de 100644
--- a/src/USER-MISC/pair_buck_mdf.cpp
+++ b/src/USER-MISC/pair_buck_mdf.cpp
@@ -52,7 +52,6 @@ PairBuckMDF::~PairBuckMDF()
     memory->destroy(rhoinv);
     memory->destroy(buck1);
     memory->destroy(buck2);
-    memory->destroy(offset);
   }
 }
 
@@ -68,8 +67,7 @@ void PairBuckMDF::compute(int eflag, int vflag)
   double dp, d, tt, dt, dd;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -178,7 +176,6 @@ void PairBuckMDF::allocate()
   memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
   memory->create(buck1,n+1,n+1,"pair:buck1");
   memory->create(buck2,n+1,n+1,"pair:buck2");
-  memory->create(offset,n+1,n+1,"pair:offset");
 }
 
 /* ----------------------------------------------------------------------
@@ -208,7 +205,8 @@ void PairBuckMDF::settings(int narg, char **arg)
 
 void PairBuckMDF::coeff(int narg, char **arg)
 {
-  if (narg != 5 && narg != 7) error->all(FLERR,"Incorrect args for pair coefficients");
+  if (narg != 5 && narg != 7)
+    error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
 
   int ilo,ihi,jlo,jhi;
@@ -259,11 +257,6 @@ double PairBuckMDF::init_one(int i, int j)
   buck1[i][j] = a[i][j]/rho[i][j];
   buck2[i][j] = 6.0*c[i][j];
 
-  if (offset_flag && (cut[i][j] > 0.0)) {
-    double rexp = exp(-cut[i][j]/rho[i][j]);
-    offset[i][j] = a[i][j]*rexp - c[i][j]/pow(cut[i][j],6.0);
-  } else offset[i][j] = 0.0;
-
   cut_inner[j][i] = cut_inner[i][j];
   cut_inner_sq[i][j] = cut_inner[i][j]*cut_inner[i][j];
   cut_inner_sq[j][i] = cut_inner_sq[i][j];
@@ -273,36 +266,6 @@ double PairBuckMDF::init_one(int i, int j)
   rhoinv[j][i] = rhoinv[i][j];
   buck1[j][i] = buck1[i][j];
   buck2[j][i] = buck2[i][j];
-  offset[j][i] = offset[i][j];
-
-  // compute I,J contribution to long-range tail correction
-  // count total # of atoms of type I and J via Allreduce
-
-  if (tail_flag) {
-    int *type = atom->type;
-    int nlocal = atom->nlocal;
-
-    double count[2],all[2];
-    count[0] = count[1] = 0.0;
-    for (int k = 0; k < nlocal; k++) {
-      if (type[k] == i) count[0] += 1.0;
-      if (type[k] == j) count[1] += 1.0;
-    }
-    MPI_Allreduce(count,all,2,MPI_DOUBLE,MPI_SUM,world);
-
-    double rho1 = rho[i][j];
-    double rho2 = rho1*rho1;
-    double rho3 = rho2*rho1;
-    double rc = cut[i][j];
-    double rc2 = rc*rc;
-    double rc3 = rc2*rc;
-    etail_ij = 2.0*MY_PI*all[0]*all[1]*
-      (a[i][j]*exp(-rc/rho1)*rho1*(rc2 + 2.0*rho1*rc + 2.0*rho2) -
-       c[i][j]/(3.0*rc3));
-    ptail_ij = (-1/3.0)*2.0*MY_PI*all[0]*all[1]*
-      (-a[i][j]*exp(-rc/rho1)*
-       (rc3 + 3.0*rho1*rc2 + 6.0*rho2*rc + 6.0*rho3) + 2.0*c[i][j]/rc3);
-  }
 
   return cut[i][j];
 }
diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp
index 0154e8973171fe2675fa349235ba50507fdb2727..a86921d2961fee2a06670cc12a13d5c1307572ab 100644
--- a/src/USER-MISC/pair_coul_diel.cpp
+++ b/src/USER-MISC/pair_coul_diel.cpp
@@ -58,8 +58,7 @@ void PairCoulDiel::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/USER-MISC/pair_coul_shield.cpp
index 11df975c1903acf861bd16c7d8749dc03bfab0f8..f74dcfe7d866270b21c4adc73f6dfd51891da18a 100644
--- a/src/USER-MISC/pair_coul_shield.cpp
+++ b/src/USER-MISC/pair_coul_shield.cpp
@@ -64,8 +64,7 @@ void PairCoulShield::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_drip.cpp b/src/USER-MISC/pair_drip.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..118c033b5cfc3f63203eb6850fe109785972075a
--- /dev/null
+++ b/src/USER-MISC/pair_drip.cpp
@@ -0,0 +1,1107 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Mingjian Wen (University of Minnesota)
+   e-mail: wenxx151@umn.edu, wenxx151@gmail.com
+
+   This implements the DRIP model as described in
+   M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor,
+   Phys. Rev. B, 98, 235404 (2018).
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include <mpi.h>
+#include "pair_drip.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "my_page.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define MAXLINE 1024
+#define DELTA 4
+#define HALF 0.5
+
+/* ---------------------------------------------------------------------- */
+
+PairDRIP::PairDRIP(LAMMPS *lmp) : Pair(lmp)
+{
+  single_enable = 0;
+  restartinfo = 0;
+  manybody_flag = 1;
+
+  params = NULL;
+  nearest3neigh = NULL;
+  elements = NULL;
+  elem2param = NULL;
+  map = NULL;
+  nelements = 0;
+  cutmax = 0.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairDRIP::~PairDRIP()
+{
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    delete [] map;
+  }
+
+  if (elements != NULL) {
+    for (int i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+    elements = NULL;
+  }
+  memory->destroy(params);
+  memory->destroy(elem2param);
+  memory->destroy(nearest3neigh);
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairDRIP::init_style()
+{
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Pair style drip requires newton pair on");
+  if (!atom->molecule_flag)
+    error->all(FLERR,"Pair style drip requires atom attribute molecule");
+
+  // need a full neighbor list, including neighbors of ghosts
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->ghost = 1;
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairDRIP::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+  map = new int[n+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairDRIP::settings(int narg, char ** /* arg */)
+{
+  if (narg != 0) error->all(FLERR,"Illegal pair_style command");
+  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
+    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairDRIP::coeff(int narg, char **arg)
+{
+  int i,j,n;
+
+  if (!allocated) allocate();
+
+  if (narg != 3 + atom->ntypes)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+  // insure I,J args are * *
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+  // read args that map atom types to elements in potential file
+  // map[i] = which element the Ith atom type is, -1 if NULL
+  // nelements = # of unique elements
+  // elements = list of element names
+
+  if (elements) {
+    for (i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+  }
+  elements = new char*[atom->ntypes];
+  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
+
+  nelements = 0;
+  for (i = 3; i < narg; i++) {
+    if (strcmp(arg[i],"NULL") == 0) {
+      map[i-2] = -1;
+      continue;
+    }
+    for (j = 0; j < nelements; j++)
+      if (strcmp(arg[i],elements[j]) == 0) break;
+    map[i-2] = j;
+    if (j == nelements) {
+      n = strlen(arg[i]) + 1;
+      elements[j] = new char[n];
+      strcpy(elements[j],arg[i]);
+      nelements++;
+    }
+  }
+
+  read_file(arg[2]);
+
+
+  // clear setflag since coeff() called once with I,J = * *
+  n = atom->ntypes;
+  for (i = 1; i <= n; i++)
+    for (j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  int count = 0;
+  for (i = 1; i <= n; i++)
+    for (j = i; j <= n; j++)
+      if (map[i] >= 0 && map[j] >= 0) {
+        setflag[i][j] = 1;
+        count++;
+      }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairDRIP::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  int itype = map[i];
+  int jtype = map[j];
+  int iparam_ij = elem2param[itype][jtype];
+  Param& p = params[iparam_ij];
+
+  // max cutoff is the main cutoff plus the normal cutoff such that
+  double cutmax = p.rcut + p.ncut;
+
+  return cutmax;
+}
+
+/* ----------------------------------------------------------------------
+   read DRIP file
+------------------------------------------------------------------------- */
+
+void PairDRIP::read_file(char *filename)
+{
+  int params_per_line = 15;
+  char **words = new char*[params_per_line+1];
+  memory->sfree(params);
+  int nparams = 0;
+  int maxparam = 0;
+
+  // open file on proc 0
+
+  FILE *fp;
+  if (comm->me == 0) {
+    fp = force->open_potential(filename);
+    if (fp == NULL) {
+      char str[128];
+      snprintf(str,128,"Cannot open DRIP potential file %s",filename);
+      error->one(FLERR,str);
+    }
+  }
+
+  // read each line out of file, skipping blank lines or leading '#'
+  // store line of params if all 3 element tags are in element list
+
+  int i,j,n,m,nwords,ielement,jelement;
+  char line[MAXLINE],*ptr;
+  int eof = 0;
+
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nwords = atom->count_words(line);
+    if (nwords == 0) continue;
+
+    // concatenate additional lines until have params_per_line words
+
+    while (nwords < params_per_line) {
+      n = strlen(line);
+      if (comm->me == 0) {
+        ptr = fgets(&line[n],MAXLINE-n,fp);
+        if (ptr == NULL) {
+          eof = 1;
+          fclose(fp);
+        } else n = strlen(line) + 1;
+      }
+      MPI_Bcast(&eof,1,MPI_INT,0,world);
+      if (eof) break;
+      MPI_Bcast(&n,1,MPI_INT,0,world);
+      MPI_Bcast(line,n,MPI_CHAR,0,world);
+      if ((ptr = strchr(line,'#'))) *ptr = '\0';
+      nwords = atom->count_words(line);
+    }
+
+    if (nwords != params_per_line)
+      error->all(FLERR,"Insufficient format in DRIP potential file");
+
+    // words = ptrs to all words in line
+
+    nwords = 0;
+    words[nwords++] = strtok(line," \t\n\r\f");
+    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+
+    // ielement,jelement = 1st args
+    // if these 2 args are in element list, then parse this line
+    // else skip to next line (continue)
+
+    for (ielement = 0; ielement < nelements; ielement++)
+      if (strcmp(words[0],elements[ielement]) == 0) break;
+    if (ielement == nelements) continue;
+    for (jelement = 0; jelement < nelements; jelement++)
+      if (strcmp(words[1],elements[jelement]) == 0) break;
+    if (jelement == nelements) continue;
+
+    // load up parameter settings and error check their values
+
+    if (nparams == maxparam) {
+      maxparam += DELTA;
+      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
+                                          "pair:params");
+    }
+
+    params[nparams].ielement = ielement;
+    params[nparams].jelement = jelement;
+    params[nparams].C0       = atof(words[2]);
+    params[nparams].C2       = atof(words[3]);
+    params[nparams].C4       = atof(words[4]);
+    params[nparams].C        = atof(words[5]);
+    params[nparams].delta    = atof(words[6]);
+    params[nparams].lambda   = atof(words[7]);
+    params[nparams].A        = atof(words[8]);
+    params[nparams].z0       = atof(words[9]);
+    params[nparams].B        = atof(words[10]);
+    params[nparams].eta      = atof(words[11]);
+    params[nparams].rhocut   = atof(words[12]);
+    params[nparams].rcut     = atof(words[13]);
+    params[nparams].ncut     = atof(words[14]);
+
+    // convenient precomputations
+    params[nparams].rhocutsq = params[nparams].rhocut * params[nparams].rhocut;
+    params[nparams].rcutsq   = params[nparams].rcut * params[nparams].rcut;
+    params[nparams].ncutsq   = params[nparams].ncut * params[nparams].ncut;
+
+    nparams++;
+  }
+
+  memory->destroy(elem2param);
+  memory->create(elem2param,nelements,nelements,"pair:elem2param");
+  for (i = 0; i < nelements; i++) {
+    for (j = 0; j < nelements; j++) {
+      n = -1;
+      for (m = 0; m < nparams; m++) {
+        if (i == params[m].ielement && j == params[m].jelement) {
+          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
+          n = m;
+        }
+      }
+      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
+      elem2param[i][j] = n;
+    }
+  }
+  delete [] words;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairDRIP::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,rsq;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double ni[DIM];
+  double dni_dri[DIM][DIM], dni_drnb1[DIM][DIM];
+  double dni_drnb2[DIM][DIM], dni_drnb3[DIM][DIM];
+
+  ev_init(eflag,vflag);
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  find_nearest3neigh();
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    if (nearest3neigh[i][0] == -1) {
+      continue;
+    }
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = map[type[i]];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    // normal and its derivatives w.r.t. atom i and its 3 nearest neighbors
+    calc_normal(i, ni, dni_dri,dni_drnb1, dni_drnb2, dni_drnb3);
+
+    double fi[DIM] = {0., 0., 0.};
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      if (nearest3neigh[j][0] == -1) {
+        continue;
+      }
+      jtype = map[type[j]];
+
+      delx = x[j][0] - xtmp;
+      dely = x[j][1] - ytmp;
+      delz = x[j][2] - ztmp;
+      rsq = delx*delx + dely*dely + delz*delz;
+      int iparam_ij = elem2param[itype][jtype];
+      Param& p = params[iparam_ij];
+      double rcutsq = p.rcutsq;
+
+      // only include the interation between different layers
+      if (rsq < rcutsq && atom->molecule[i] != atom->molecule[j]) {
+
+        double fj[DIM] = {0., 0., 0.};
+        double rvec[DIM] = {delx, dely, delz};
+
+        double phi_attr = calc_attractive(p, rsq, rvec, fi, fj);
+
+        double phi_repul = calc_repulsive(i, j, p, rsq, rvec,
+            ni, dni_dri, dni_drnb1, dni_drnb2, dni_drnb3, fi, fj);
+
+        if (eflag) evdwl = HALF * (phi_repul + phi_attr);
+        else evdwl = 0.0;
+        if (evflag) ev_tally(i,j,nlocal,newton_pair, evdwl,0.0,0,0,0,0);
+
+        f[j][0] += fj[0];
+        f[j][1] += fj[1];
+        f[j][2] += fj[2];
+
+        // multiply 2 since v_tally has a 0.5 coeff
+        fj[0] *= 2; fj[1] *= 2; fj[2] *= 2;
+        if (vflag_atom) v_tally(j, fj, x[j]);
+
+      }
+    }  //loop over jj
+
+    f[i][0] += fi[0];
+    f[i][1] += fi[1];
+    f[i][2] += fi[2];
+
+    // multiply 2 since v_tally has a 0.5 coeff
+    fi[0] *= 2; fi[1] *= 2; fi[2] *= 2;
+    if (vflag_atom) v_tally(i, fi, x[i]);
+
+  }  // loop over ii
+
+
+if (vflag_fdotr)
+  virial_fdotr_compute();
+
+}
+
+/* ----------------------------------------------------------------------
+   Attractive part, i.e. the r^(-6) part
+------------------------------------------------------------------------- */
+
+double PairDRIP::calc_attractive(Param& p, double const rsq, double const *rvec,
+                                 double *const fi, double *const fj)
+{
+  double const z0 = p.z0;
+  double const A = p.A;
+  double const cutoff = p.rcut;
+  double const r = sqrt(rsq);
+
+  double roz0_sq = rsq / (z0 * z0);
+  double dtp;
+  double tp = tap(r, cutoff, dtp);
+  double r6 = A / (roz0_sq * roz0_sq * roz0_sq);
+  double dr6 = -6 * r6 / r;
+  double phi = -r6 * tp;
+
+  double fpair = -HALF * (r6 * dtp + dr6 * tp);
+
+  fi[0] += rvec[0] * fpair / r;
+  fi[1] += rvec[1] * fpair / r;
+  fi[2] += rvec[2] * fpair / r;
+  fj[0] -= rvec[0] * fpair / r;
+  fj[1] -= rvec[1] * fpair / r;
+  fj[2] -= rvec[2] * fpair / r;
+
+  return phi;
+}
+
+/* ----------------------------------------------------------------------
+   Repulsive part that depends on transverse distance and dihedral angle
+------------------------------------------------------------------------- */
+
+double PairDRIP::calc_repulsive(int const i, int const j, Param& p,
+    double const rsq, double const *rvec, double const *ni,
+    V3 const *dni_dri, V3 const *dni_drnb1, V3 const *dni_drnb2,
+    V3 const *dni_drnb3, double *const fi, double *const fj)
+{
+  double **f = atom->f;
+  double **x = atom->x;
+
+  double C0 = p.C0;
+  double C2 = p.C2;
+  double C4 = p.C4;
+  double C = p.C;
+  double delta = p.delta;
+  double lambda = p.lambda;
+  double z0 = p.z0;
+  double cutoff = p.rcut;
+
+  // nearest 3 neighbors of atoms i and j
+  int nbi1 = nearest3neigh[i][0];
+  int nbi2 = nearest3neigh[i][1];
+  int nbi3 = nearest3neigh[i][2];
+  int nbj1 = nearest3neigh[j][0];
+  int nbj2 = nearest3neigh[j][1];
+  int nbj3 = nearest3neigh[j][2];
+
+  double fnbi1[DIM];
+  double fnbi2[DIM];
+  double fnbi3[DIM];
+  double fnbj1[DIM];
+  double fnbj2[DIM];
+  double fnbj3[DIM];
+  V3 dgij_dri;
+  V3 dgij_drj;
+  V3 dgij_drk1;
+  V3 dgij_drk2;
+  V3 dgij_drk3;
+  V3 dgij_drl1;
+  V3 dgij_drl2;
+  V3 dgij_drl3;
+  V3 drhosqij_dri;
+  V3 drhosqij_drj;
+  V3 drhosqij_drnb1;
+  V3 drhosqij_drnb2;
+  V3 drhosqij_drnb3;
+
+  double r = sqrt(rsq);
+
+  // derivative of rhosq w.r.t. atoms i j and the nearests 3 neighs of i
+  get_drhosqij(rvec, ni, dni_dri, dni_drnb1, dni_drnb2, dni_drnb3, drhosqij_dri,
+      drhosqij_drj, drhosqij_drnb1, drhosqij_drnb2, drhosqij_drnb3);
+
+  // transverse decay function f(rho) and its derivative w.r.t. rhosq
+  double rhosqij;
+  double dtdij;
+  double tdij = td(C0, C2, C4, delta, rvec, r, ni, rhosqij, dtdij);
+
+  // dihedral angle function and its derivateives
+  double dgij_drhosq;
+  double gij = dihedral(i, j, p, rhosqij, dgij_drhosq, dgij_dri, dgij_drj,
+      dgij_drk1, dgij_drk2, dgij_drk3, dgij_drl1, dgij_drl2, dgij_drl3);
+
+  double V2 = C + tdij + gij;
+
+  // tap part
+  double dtp;
+  double tp = tap(r, cutoff, dtp);
+
+  // exponential part
+  double V1 = exp(-lambda * (r - z0));
+  double dV1 = -V1 * lambda;
+
+  // total energy
+  double phi = tp * V1 * V2;
+
+  for (int k = 0; k < DIM; k++) {
+    // forces due to derivatives of tap and V1
+    double tmp = HALF * (dtp * V1 + tp * dV1) * V2 * rvec[k] / r;
+    fi[k] += tmp;
+    fj[k] -= tmp;
+
+    // contributions from transverse decay part tdij and the dihedral part gij
+
+    // derivative of V2 contribute to atoms i, j
+    fi[k] -= HALF*tp*V1*((dtdij+dgij_drhosq)*drhosqij_dri[k]+dgij_dri[k]);
+    fj[k] -= HALF*tp*V1*((dtdij+dgij_drhosq)*drhosqij_drj[k]+dgij_drj[k]);
+    // derivative of V2 contribute to nearest 3 neighs of atom i
+    fnbi1[k] = -HALF*tp*V1*((dtdij+dgij_drhosq)*drhosqij_drnb1[k]+dgij_drk1[k]);
+    fnbi2[k] = -HALF*tp*V1*((dtdij+dgij_drhosq)*drhosqij_drnb2[k]+dgij_drk2[k]);
+    fnbi3[k] = -HALF*tp*V1*((dtdij+dgij_drhosq)*drhosqij_drnb3[k]+dgij_drk3[k]);
+    // derivative of V2 contribute to nearest 3 neighs of atom j
+    fnbj1[k] = -HALF * tp * V1 * dgij_drl1[k];
+    fnbj2[k] = -HALF * tp * V1 * dgij_drl2[k];
+    fnbj3[k] = -HALF * tp * V1 * dgij_drl3[k];
+  }
+
+  for (int k = 0; k < DIM; k++) {
+    f[nbi1][k] += fnbi1[k];
+    f[nbi2][k] += fnbi2[k];
+    f[nbi3][k] += fnbi3[k];
+    f[nbj1][k] += fnbj1[k];
+    f[nbj2][k] += fnbj2[k];
+    f[nbj3][k] += fnbj3[k];
+  }
+
+  if (vflag_atom) {
+    // multiply since v_tally has a 0.5 coeff
+    for (int k = 0; k < DIM; k++) {
+      fnbi1[k] *= 2;
+      fnbi2[k] *= 2;
+      fnbi3[k] *= 2;
+      fnbj1[k] *= 2;
+      fnbj2[k] *= 2;
+      fnbj3[k] *= 2;
+    }
+    v_tally(nbi1, fnbi1, x[nbi1]);
+    v_tally(nbi2, fnbi2, x[nbi2]);
+    v_tally(nbi3, fnbi3, x[nbi3]);
+    v_tally(nbj1, fnbj1, x[nbj1]);
+    v_tally(nbj2, fnbj2, x[nbj2]);
+    v_tally(nbj3, fnbj3, x[nbj3]);
+  }
+
+  return phi;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairDRIP::find_nearest3neigh()
+{
+  int i, j, ii, jj, allnum, inum, jnum, itype, jtype, size;
+  double xtmp, ytmp, ztmp, delx, dely, delz, rsq;
+  int *ilist, *jlist, *numneigh, **firstneigh;
+
+  double **x = atom->x;
+  int *type = atom->type;
+
+
+  allnum = list->inum + list->gnum;
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  size = allnum;
+  memory->destroy(nearest3neigh);
+  memory->create(nearest3neigh, size, 3, "pair:nearest3neigh");
+
+  for (ii = 0; ii < allnum; ii++) {
+    i = ilist[ii];
+
+    // If "NULL" used in pair_coeff, i could be larger than allnum
+    if (i >= size) {
+      size = i+1;
+      memory->grow(nearest3neigh, size, 3, "pair:nearest3neigh");
+    }
+
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = map[type[i]];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    // init nb1 to be the 1st nearest neigh, nb3 the 3rd nearest
+    int nb1 = -1;
+    int nb2 = -1;
+    int nb3 = -1;
+    double nb1_rsq = 1.0e10 + 1;
+    double nb2_rsq = 2.0e10;
+    double nb3_rsq = 3.0e10;
+
+    for (jj = 0; jj < jnum; jj++) {
+
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = map[type[j]];
+      delx = x[j][0] - xtmp;
+      dely = x[j][1] - ytmp;
+      delz = x[j][2] - ztmp;
+      rsq = delx * delx + dely * dely + delz * delz;
+
+      int iparam_ij = elem2param[itype][jtype];
+      double ncutsq = params[iparam_ij].ncutsq;
+
+      if (rsq < ncutsq && atom->molecule[i] == atom->molecule[j]) {
+        // find the 3 nearest neigh
+        if (rsq < nb1_rsq) {
+          nb3 = nb2;
+          nb2 = nb1;
+          nb1 = j;
+          nb3_rsq = nb2_rsq;
+          nb2_rsq = nb1_rsq;
+          nb1_rsq = rsq;
+        }
+        else if (rsq < nb2_rsq) {
+          nb3 = nb2;
+          nb2 = j;
+          nb3_rsq = nb2_rsq;
+          nb2_rsq = rsq;
+        }
+        else if (rsq < nb3_rsq) {
+          nb3 = j;
+          nb3_rsq = rsq;
+        }
+
+      }
+    }  // loop over jj
+
+    // store neighbors to be used later to compute normal
+    if (nb3_rsq >= 1.0e10) {
+      if (i<inum) {
+        error->one(FLERR, "No enough neighbors to construct normal. Check the "
+        "configuration to see whether atoms fly away.");
+      } else {
+        // This only happens for ghost atoms that are near the boundary of the
+        // domain (i.e. r > r_cut + n_cut). These ghost atoms will not be
+        // the i j atoms in the compute function, but only neighbors of j atoms.
+        // It is allowed not to have three neighbors for these atoms, since
+        // their normals are not needed.
+        nearest3neigh[i][0] = -1;
+        nearest3neigh[i][1] = -1;
+        nearest3neigh[i][2] = -1;
+      }
+    }
+    else{
+      nearest3neigh[i][0] = nb1;
+      nearest3neigh[i][1] = nb2;
+      nearest3neigh[i][2] = nb3;
+    }
+  } // loop over ii
+
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairDRIP::calc_normal(int const i, double *const normal,
+    V3 *const dn_dri, V3 *const dn_drk1, V3 *const dn_drk2, V3 *const dn_drk3)
+{
+  int k1 = nearest3neigh[i][0];
+  int k2 = nearest3neigh[i][1];
+  int k3 = nearest3neigh[i][2];
+
+  // normal does not depend on i, setting to zero
+  for (int j = 0; j < DIM; j++) {
+    for (int k = 0; k < DIM; k++) {
+      dn_dri[j][k] = 0.0;
+    }
+  }
+
+  // get normal and derives of normal w.r.t to its 3 nearest neighbors
+  double **x = atom->x;
+  deriv_cross(x[k1], x[k2], x[k3], normal, dn_drk1, dn_drk2, dn_drk3);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairDRIP::get_drhosqij(double const *rij, double const *ni,
+    V3 const *dni_dri, V3 const *dni_drn1, V3 const *dni_drn2,
+    V3 const *dni_drn3, double *const drhosq_dri, double *const drhosq_drj,
+    double *const drhosq_drn1, double *const drhosq_drn2,
+    double *const drhosq_drn3)
+{
+  int k;
+  double ni_dot_rij = 0;
+  double dni_dri_dot_rij[DIM];
+  double dni_drn1_dot_rij[DIM];
+  double dni_drn2_dot_rij[DIM];
+  double dni_drn3_dot_rij[DIM];
+
+  ni_dot_rij = dot(ni, rij);
+  mat_dot_vec(dni_dri, rij, dni_dri_dot_rij);
+  mat_dot_vec(dni_drn1, rij, dni_drn1_dot_rij);
+  mat_dot_vec(dni_drn2, rij, dni_drn2_dot_rij);
+  mat_dot_vec(dni_drn3, rij, dni_drn3_dot_rij);
+
+  for (k = 0; k < DIM; k++) {
+    drhosq_dri[k] = -2*rij[k] - 2 * ni_dot_rij * (-ni[k] + dni_dri_dot_rij[k]);
+    drhosq_drj[k] = 2 * rij[k] - 2 * ni_dot_rij * ni[k];
+    drhosq_drn1[k] = -2 * ni_dot_rij * dni_drn1_dot_rij[k];
+    drhosq_drn2[k] = -2 * ni_dot_rij * dni_drn2_dot_rij[k];
+    drhosq_drn3[k] = -2 * ni_dot_rij * dni_drn3_dot_rij[k];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   derivartive of transverse decay function f(rho) w.r.t. rho
+------------------------------------------------------------------------- */
+
+double PairDRIP::td(double C0, double C2, double C4, double delta,
+    double const *const rvec, double r, const double *const n,
+    double& rho_sq, double& dtd)
+{
+  double n_dot_r = dot(n, rvec);
+
+  rho_sq = r * r - n_dot_r * n_dot_r;
+
+  // in case n is [0, 0, 1] and rho_sq is negative due to numerical error
+  if (rho_sq < 0) {
+    rho_sq = 0;
+  }
+
+  double del_sq = delta * delta;
+  double rod_sq = rho_sq / del_sq;
+  double td = exp(-rod_sq) * (C0 + rod_sq * (C2 + rod_sq * C4));
+  dtd = -td / del_sq + exp(-rod_sq) * (C2 + 2 * C4 * rod_sq) / del_sq;
+
+  return td;
+}
+
+/* ----------------------------------------------------------------------
+   derivartive of dihedral angle func gij w.r.t rho, and atom positions
+------------------------------------------------------------------------- */
+
+double PairDRIP::dihedral(const int i, const int j, Param& p,
+    double const rhosq, double& d_drhosq,
+    double *const d_dri, double *const d_drj,
+    double *const d_drk1, double *const d_drk2, double *const d_drk3,
+    double *const d_drl1, double *const d_drl2, double *const d_drl3)
+{
+  double **x = atom->x;
+
+  // get parameter
+  double B = p.B;
+  double eta = p.eta;
+  double cut_rhosq = p.rhocutsq;
+
+  // local vars
+  double cos_kl[3][3];          // cos_omega_k1ijl1, cos_omega_k1ijl2 ...
+  double d_dcos_kl[3][3];       // deriv of dihedral w.r.t to cos_omega_kijl
+  double dcos_kl[3][3][4][DIM]; // 4 indicates k, i, j, l. e.g. dcoskl[0][1][0]
+                                // means dcos_omega_k1ijl2 / drk
+
+
+  // if larger than cutoff of rho, return 0
+  if (rhosq >= cut_rhosq) {
+    d_drhosq = 0;
+    for (int dim = 0; dim < DIM; dim++) {
+      d_dri[dim] = 0;
+      d_drj[dim] = 0;
+      d_drk1[dim] = 0;
+      d_drk2[dim] = 0;
+      d_drk3[dim] = 0;
+      d_drl1[dim] = 0;
+      d_drl2[dim] = 0;
+      d_drl3[dim] = 0;
+    }
+    double dihe = 0.0;
+    return dihe;
+  }
+  // 3 neighs of atoms i and j
+  int k[3];
+  int l[3];
+  for (int m = 0; m < 3; m++) {
+    k[m] = nearest3neigh[i][m];
+    l[m] = nearest3neigh[j][m];
+  }
+
+  // cos_omega_kijl and the derivatives w.r.t coordinates
+  for (int m = 0; m < 3; m++) {
+    for (int n = 0; n < 3; n++) {
+      cos_kl[m][n] = deriv_cos_omega(x[k[m]], x[i], x[j], x[l[n]],
+          dcos_kl[m][n][0], dcos_kl[m][n][1],
+          dcos_kl[m][n][2], dcos_kl[m][n][3]);
+    }
+  }
+
+  double epart1 = exp(-eta * cos_kl[0][0] * cos_kl[0][1] * cos_kl[0][2]);
+  double epart2 = exp(-eta * cos_kl[1][0] * cos_kl[1][1] * cos_kl[1][2]);
+  double epart3 = exp(-eta * cos_kl[2][0] * cos_kl[2][1] * cos_kl[2][2]);
+  double D2 = epart1 + epart2 + epart3;
+
+  // cutoff function
+  double d_drhosq_tap;
+  double D0 = B * tap_rho(rhosq, cut_rhosq, d_drhosq_tap);
+
+  // dihedral energy
+  double dihe = D0 * D2;
+
+  // deriv of dihedral w.r.t rhosq
+  d_drhosq = B * d_drhosq_tap * D2;
+
+  // deriv of dihedral w.r.t cos_omega_kijl
+  d_dcos_kl[0][0] = -D0 * epart1 * eta * cos_kl[0][1] * cos_kl[0][2];
+  d_dcos_kl[0][1] = -D0 * epart1 * eta * cos_kl[0][0] * cos_kl[0][2];
+  d_dcos_kl[0][2] = -D0 * epart1 * eta * cos_kl[0][0] * cos_kl[0][1];
+  d_dcos_kl[1][0] = -D0 * epart2 * eta * cos_kl[1][1] * cos_kl[1][2];
+  d_dcos_kl[1][1] = -D0 * epart2 * eta * cos_kl[1][0] * cos_kl[1][2];
+  d_dcos_kl[1][2] = -D0 * epart2 * eta * cos_kl[1][0] * cos_kl[1][1];
+  d_dcos_kl[2][0] = -D0 * epart3 * eta * cos_kl[2][1] * cos_kl[2][2];
+  d_dcos_kl[2][1] = -D0 * epart3 * eta * cos_kl[2][0] * cos_kl[2][2];
+  d_dcos_kl[2][2] = -D0 * epart3 * eta * cos_kl[2][0] * cos_kl[2][1];
+
+  // initialization to be zero and later add values
+  for (int dim = 0; dim < DIM; dim++) {
+    d_drk1[dim] = 0.;
+    d_drk2[dim] = 0.;
+    d_drk3[dim] = 0.;
+    d_dri[dim] = 0.;
+    d_drj[dim] = 0.;
+    d_drl1[dim] = 0.;
+    d_drl2[dim] = 0.;
+    d_drl3[dim] = 0.;
+  }
+
+  for (int m = 0; m < 3; m++) {
+    for (int dim = 0; dim < 3; dim++) {
+      d_drk1[dim] += d_dcos_kl[0][m] * dcos_kl[0][m][0][dim];
+      d_drk2[dim] += d_dcos_kl[1][m] * dcos_kl[1][m][0][dim];
+      d_drk3[dim] += d_dcos_kl[2][m] * dcos_kl[2][m][0][dim];
+      d_drl1[dim] += d_dcos_kl[m][0] * dcos_kl[m][0][3][dim];
+      d_drl2[dim] += d_dcos_kl[m][1] * dcos_kl[m][1][3][dim];
+      d_drl3[dim] += d_dcos_kl[m][2] * dcos_kl[m][2][3][dim];
+    }
+    for (int n = 0; n < 3; n++) {
+      for (int dim = 0; dim < 3; dim++) {
+        d_dri[dim] += d_dcos_kl[m][n] * dcos_kl[m][n][1][dim];
+        d_drj[dim] += d_dcos_kl[m][n] * dcos_kl[m][n][2][dim];
+      }
+    }
+  }
+
+  return dihe;
+}
+
+/* ----------------------------------------------------------------------
+   compute cos(omega_kijl) and the derivateives
+------------------------------------------------------------------------- */
+
+double PairDRIP::deriv_cos_omega(double const *rk, double const *ri,
+    double const *rj, double const *rl, double *const dcos_drk,
+    double *const dcos_dri, double *const dcos_drj, double *const dcos_drl)
+{
+  double ejik[DIM];
+  double eijl[DIM];
+  double tmp1[DIM];
+  double tmp2[DIM];
+  double dejik_dri[DIM][DIM];
+  double dejik_drj[DIM][DIM];
+  double dejik_drk[DIM][DIM];
+  double deijl_dri[DIM][DIM];
+  double deijl_drj[DIM][DIM];
+  double deijl_drl[DIM][DIM];
+
+
+  // ejik and derivatives
+  // Note the returned dejik_dri ... are actually the transpose
+  deriv_cross(ri, rj, rk, ejik, dejik_dri, dejik_drj, dejik_drk);
+
+  // flip sign
+  // deriv_cross computes rij cross rik, here we need rji cross rik
+  for (int m = 0; m < DIM; m++) {
+    ejik[m] = -ejik[m];
+    for (int n = 0; n < DIM; n++) {
+      dejik_dri[m][n] = -dejik_dri[m][n];
+      dejik_drj[m][n] = -dejik_drj[m][n];
+      dejik_drk[m][n] = -dejik_drk[m][n];
+    }
+  }
+
+  // eijl and derivatives
+  deriv_cross(rj, ri, rl, eijl, deijl_drj, deijl_dri, deijl_drl);
+  // flip sign
+  for (int m = 0; m < DIM; m++) {
+    eijl[m] = -eijl[m];
+    for (int n = 0; n < DIM; n++) {
+      deijl_drj[m][n] = -deijl_drj[m][n];
+      deijl_dri[m][n] = -deijl_dri[m][n];
+      deijl_drl[m][n] = -deijl_drl[m][n];
+    }
+  }
+
+  // dcos_drk
+  mat_dot_vec(dejik_drk, eijl, dcos_drk);
+  // dcos_dri
+  mat_dot_vec(dejik_dri, eijl, tmp1);
+  mat_dot_vec(deijl_dri, ejik, tmp2);
+  for (int m = 0; m < DIM; m++) {
+    dcos_dri[m] = tmp1[m] + tmp2[m];
+  }
+  // dcos_drj
+  mat_dot_vec(dejik_drj, eijl, tmp1);
+  mat_dot_vec(deijl_drj, ejik, tmp2);
+  for (int m = 0; m < DIM; m++) {
+    dcos_drj[m] = tmp1[m] + tmp2[m];
+  }
+  // dcos drl
+  mat_dot_vec(deijl_drl, ejik, dcos_drl);
+
+  // cos_oemga_kijl
+  double cos_omega = dot(ejik, eijl);
+
+  return cos_omega;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairDRIP::tap(double r, double cutoff, double& dtap)
+{
+  double t;
+  double r_min = 0;
+
+  if (r <= r_min) {
+    t = 1;
+    dtap = 0;
+  }
+  else {
+    double roc = (r - r_min) / (cutoff - r_min);
+    double roc_sq = roc * roc;
+    t = roc_sq*roc_sq*(-35.0 + 84.0 * roc + roc_sq * (-70.0 + 20.0 * roc)) + 1;
+    dtap = roc_sq * roc / (cutoff - r_min)
+           * (-140.0 + 420.0 * roc + roc_sq * (-420.0 + 140.0 * roc));
+  }
+
+  return t;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairDRIP::tap_rho(double rhosq, double cut_rhosq, double& drhosq)
+{
+  double roc_sq;
+  double roc;
+  double t;
+
+  roc_sq = rhosq / cut_rhosq;
+  roc = sqrt(roc_sq);
+  t = roc_sq*roc_sq*(-35.0 + 84.0 * roc + roc_sq * (-70.0 + 20.0 * roc)) + 1;
+
+  // Note this dtap/drho_sq not dtap/drho
+  drhosq = roc_sq/cut_rhosq*(-70.0 + 210.0*roc + roc_sq*(-210.0 + 70.0*roc));
+
+  return t;
+}
+
+/* ----------------------------------------------------------------------
+   Compute the normalized cross product of two vector rkl, rkm, and the
+   derivates w.r.t rk, rl, rm.
+   Note, the returned dcross_drk, dcross_drl, and dcross_drm are actually the
+   transpose.
+------------------------------------------------------------------------- */
+
+void PairDRIP::deriv_cross(double const *rk, double const *rl,
+    double const *rm, double *const cross,
+    V3 *const dcross_drk, V3 *const dcross_drl, V3 *const dcross_drm)
+{
+  double x[DIM];
+  double y[DIM];
+  double p[DIM];
+  double q;
+  double q_cubic;
+  double d_invq_d_x0;
+  double d_invq_d_x1;
+  double d_invq_d_x2;
+  double d_invq_d_y0;
+  double d_invq_d_y1;
+  double d_invq_d_y2;
+
+  int i, j;
+
+
+  // get x = rkl and y = rkm
+  for (i = 0; i < DIM; i++) {
+    x[i] = rl[i] - rk[i];
+    y[i] = rm[i] - rk[i];
+  }
+
+  // cross product
+  p[0] = x[1] * y[2] - x[2] * y[1];
+  p[1] = x[2] * y[0] - x[0] * y[2];
+  p[2] = x[0] * y[1] - x[1] * y[0];
+
+  q = sqrt(p[0] * p[0] + p[1] * p[1] + p[2] * p[2]);
+
+  // normalized cross
+  cross[0] = p[0] / q;
+  cross[1] = p[1] / q;
+  cross[2] = p[2] / q;
+
+  // compute derivatives
+  // derivative of inverse q (i.e. 1/q) w.r.t x and y
+  q_cubic = q * q * q;
+  d_invq_d_x0 = (+p[1] * y[2] - p[2] * y[1]) / q_cubic;
+  d_invq_d_x1 = (-p[0] * y[2] + p[2] * y[0]) / q_cubic;
+  d_invq_d_x2 = (p[0] * y[1] - p[1] * y[0]) / q_cubic;
+  d_invq_d_y0 = (-p[1] * x[2] + p[2] * x[1]) / q_cubic;
+  d_invq_d_y1 = (p[0] * x[2] - p[2] * x[0]) / q_cubic;
+  d_invq_d_y2 = (-p[0] * x[1] + p[1] * x[0]) / q_cubic;
+
+  // dcross/drl transposed
+  dcross_drl[0][0] = p[0] * d_invq_d_x0;
+  dcross_drl[0][1] = -y[2] / q + p[1] * d_invq_d_x0;
+  dcross_drl[0][2] = y[1] / q + p[2] * d_invq_d_x0;
+
+  dcross_drl[1][0] = y[2] / q + p[0] * d_invq_d_x1;
+  dcross_drl[1][1] = p[1] * d_invq_d_x1;
+  dcross_drl[1][2] = -y[0] / q + p[2] * d_invq_d_x1;
+
+  dcross_drl[2][0] = -y[1] / q + p[0] * d_invq_d_x2;
+  dcross_drl[2][1] = y[0] / q + p[1] * d_invq_d_x2;
+  dcross_drl[2][2] = p[2] * d_invq_d_x2;
+
+  // dcross/drm transposed
+  dcross_drm[0][0] = p[0] * d_invq_d_y0;
+  dcross_drm[0][1] = x[2] / q + p[1] * d_invq_d_y0;
+  dcross_drm[0][2] = -x[1] / q + p[2] * d_invq_d_y0;
+
+  dcross_drm[1][0] = -x[2] / q + p[0] * d_invq_d_y1;
+  dcross_drm[1][1] = p[1] * d_invq_d_y1;
+  dcross_drm[1][2] = x[0] / q + p[2] * d_invq_d_y1;
+
+  dcross_drm[2][0] = x[1] / q + p[0] * d_invq_d_y2;
+  dcross_drm[2][1] = -x[0] / q + p[1] * d_invq_d_y2;
+  dcross_drm[2][2] = p[2] * d_invq_d_y2;
+
+  // dcross/drk transposed
+  for (i = 0; i < DIM; i++) {
+    for (j = 0; j < DIM; j++) {
+      dcross_drk[i][j] = -(dcross_drl[i][j] + dcross_drm[i][j]);
+    }
+  }
+}
diff --git a/src/USER-MISC/pair_drip.h b/src/USER-MISC/pair_drip.h
new file mode 100644
index 0000000000000000000000000000000000000000..0a8f90dfc2fd54f8096748843c9e9b05e1f8610c
--- /dev/null
+++ b/src/USER-MISC/pair_drip.h
@@ -0,0 +1,148 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Mingjian Wen (University of Minnesota)
+   e-mail: wenxx151@umn.edu
+
+   This implements the DRIP model as described in
+   M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor,
+   Phys. Rev. B, 98, 235404 (2018).
+------------------------------------------------------------------------- */
+
+
+#ifdef PAIR_CLASS
+
+PairStyle(drip, PairDRIP)
+
+#else
+
+#ifndef LMP_PAIR_DRIP_H
+#define LMP_PAIR_DRIP_H
+
+#include "pair.h"
+#include "my_page.h"
+#include <cmath>
+
+namespace LAMMPS_NS {
+
+#define DIM 3
+typedef double   V3[3];
+
+
+class PairDRIP : public Pair {
+public:
+  PairDRIP(class LAMMPS *);
+  virtual ~PairDRIP();
+
+  virtual void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+  void init_style();
+
+protected:
+  struct Param
+  {
+    int    ielement, jelement;
+    double C0, C2, C4, C, delta, lambda, A, z0, B, eta, rhocut, rcut, ncut;
+    double rhocutsq, rcutsq, ncutsq;
+  };
+  Param *params;         // parameter set for I-J interactions
+  int **nearest3neigh;   // nearest 3 neighbors of atoms
+  char **elements;       // names of unique elements
+  int **elem2param;      // mapping from element pairs to parameters
+  int *map;              // mapping from atom types to elements
+  int nelements;         // # of unique elements
+  double cutmax;         // max cutoff for all species
+
+  void read_file(char *);
+  void allocate();
+
+  // DRIP specific functions
+  double calc_attractive(Param&, double const, double const *,
+                         double *const, double *const);
+
+  double calc_repulsive(int const, int const, Param&, double const,
+      double const *, double const *, V3 const *, V3 const *, V3 const *,
+      V3 const *, double *const, double *const);
+
+  void find_nearest3neigh();
+
+  void calc_normal(int const, double *const, V3 *const, V3 *const, V3 *const,
+      V3 *const);
+
+  void get_drhosqij(double const *, double const *, V3 const *, V3 const *,
+      V3 const *, V3 const *, double *const, double *const, double *const,
+      double *const, double *const);
+
+  double td(double, double, double, double, double const *const, double,
+      const double *const, double&, double&);
+
+  double dihedral(const int, const int, Param&, double const, double&,
+      double *const, double *const, double *const, double *const, double *const,
+      double *const, double *const, double *const);
+
+  double deriv_cos_omega(double const *, double const *, double const *,
+      double const *, double *const, double *const, double *const,
+      double *const);
+
+  double tap(double, double, double&);
+
+  double tap_rho(double, double, double&);
+
+  void deriv_cross(double const *, double const *, double const *,
+      double *const, V3 *const, V3 *const, V3 *const);
+
+  // inline functions
+  inline double dot(double const *x, double const *y) const
+  {
+    return x[0]*y[0]+x[1]*y[1]+x[2]*y[2];
+  }
+
+  inline void mat_dot_vec(V3 const *X, double const *y, double *const z) const
+  {
+    for (int k = 0; k < 3; k++) {
+      z[k] = X[k][0]*y[0]+X[k][1]*y[1]+X[k][2]*y[2];
+    }
+  }
+
+};
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: All pair coeffs are not set
+
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
+
+E: No enough neighbors to construct normal
+
+Cannot find three neighbors within cutoff of the target atom.
+Check the configuration.
+
+*/
diff --git a/src/USER-MISC/pair_e3b.cpp b/src/USER-MISC/pair_e3b.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..43b472594a16907a188973fd774fe0fe2d4098ea
--- /dev/null
+++ b/src/USER-MISC/pair_e3b.cpp
@@ -0,0 +1,696 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+
+   contributing authors: Steven E Strong and Nicholas J Hestand
+   contact: stevene.strong at gmail dot com
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+
+#include "pair_e3b.h"
+
+#include "atom.h"
+#include "neighbor.h"
+#include "neigh_request.h"
+#include "neigh_list.h"
+#include "force.h"
+#include "comm.h"
+#include "memory.h"
+#include "error.h"
+#include "update.h"
+#include "domain.h"
+#include "citeme.h"
+
+//these are defined here to avoid confusing hardcoded indicies, but
+//they do not allow flexibility. If they are changed the code will break
+#define DIM 3
+#define NUMH 2  //number of hydrogen atoms per water molecule
+#define NUMO 2  //number of oxygen atoms per pair of water molecules
+#define BOND_DELTA 1.01   //buffer for OH bonds that aren't perfectly rigid
+
+using namespace LAMMPS_NS;
+/* ---------------------------------------------------------------------- */
+
+PairE3B::PairE3B(LAMMPS *lmp) : Pair(lmp),pairPerAtom(10)
+{
+  single_enable = 0;
+  restartinfo = 0;
+  one_coeff = 1;
+  nextra=4;       //store and tally pot energy terms eA, eB, eC, and e2
+  pvector = new double[nextra];
+
+  allocatedE3B = false;
+  pairO  = NULL;
+  pairH  = NULL;
+  exps   = NULL;
+  del3   = NULL;
+  fpair3 = NULL;
+  sumExp = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   check if allocated, since class can be destructed when incomplete
+------------------------------------------------------------------------- */
+
+PairE3B::~PairE3B()
+{
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+  }
+  if (allocatedE3B) {
+    memory->destroy(pairO);
+    memory->destroy(pairH);
+    memory->destroy(exps);
+    memory->destroy(del3);
+    memory->destroy(fpair3);
+    memory->destroy(sumExp);
+  }
+
+  delete[] pvector;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairE3B::compute(int eflag, int vflag)
+{
+  int i,j,k,h,ii,jj,hh,kk,inum,jnum,otherO;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,rsq,tmpexp;
+  double fxtmp,fytmp,fztmp,fix,fiy,fiz;
+  double delxh,delyh,delzh,rsqh,tmpr;
+  double scFact1,scFact2,scEng,scDer;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  bool addedH;
+
+  if (natoms != atom->natoms)
+    error->all(FLERR,"pair E3B requires a fixed number of atoms");
+
+  //clear sumExp array
+  memset(sumExp,0.0,nbytes);
+
+  evdwl = 0.0;
+  pvector[0]=pvector[1]=pvector[2]=pvector[3]=0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  tagint *tag = atom->tag;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  int npair = 0;
+  // loop over half neighbor list of my atoms
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    if (type[i]!=typeO)
+      continue;
+
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    fix = fiy = fiz = 0.0;
+
+    // two-body interactions
+    jlist = firstneigh[i];
+    jnum  = numneigh[i];
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      //skip unless O-O interaction
+      if (type[j]!=typeO)
+        continue;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq  = delx*delx + dely*dely + delz*delz; //OO distance
+
+      //two body interaction
+      //not shifted b/c k2=4.87/A, so at cutoff (5.2A) e^(-kr) = 1e-11
+      if (rsq < rc2sq) {
+        tmpr    = sqrt(rsq);
+        tmpexp  = e2 * exp(-k2*tmpr);
+        fpair   = k2 * tmpexp / tmpr;
+
+        fxtmp    = delx*fpair;
+        fytmp    = dely*fpair;
+        fztmp    = delz*fpair;
+        fix     += fxtmp;
+        fiy     += fytmp;
+        fiz     += fztmp;
+        f[j][0] -= fxtmp;
+        f[j][1] -= fytmp;
+        f[j][2] -= fztmp;
+
+        if (evflag) {
+          ev_tally(i,j,nlocal,newton_pair,tmpexp,0.0,fpair,delx,dely,delz);
+          pvector[0] += tmpexp;
+        }
+      } //end if rsq<rc2sq
+
+      //accumulate info about each OH pair for later 3body stuff
+      //test OO distance with augmented cutoff to account for dangling Hs
+      if (rsq < rc3deltaSq) {
+        //pairO and pairH are set here even if no Hs are within the cutoff
+        //in that case, npair is not incremented and they will be overwritten
+        pairO[npair][0] = i;
+        pairO[npair][1] = j;
+        addedH = false;
+
+        for (kk=0; kk<NUMO; kk++) {
+          k  = pairO[npair][kk];
+          otherO = pairO[npair][(kk+1)%2];
+          for (hh=0; hh<NUMH; hh++) {
+            h=atom->map(tag[otherO]+hh+1);
+            //if hydrogen atom is missing, bond potential or shake will
+            //catch this, so don't need to check here
+            //if (h<0)
+            //  error->one(FLERR,"hydrogen atom missing");
+            h = domain->closest_image(otherO,h);
+            pairH[npair][kk][hh] = h;
+
+            delxh = x[k][0] - x[h][0];
+            delyh = x[k][1] - x[h][1];
+            delzh = x[k][2] - x[h][2];
+            rsqh = delxh*delxh + delyh*delyh + delzh*delzh;
+
+            if (rsqh < rc3sq) {
+
+              tmpr         = sqrt(rsqh);
+              tmpexp       = exp(-k3*tmpr);
+              if (tmpr > rs) {
+                scFact1    = rc3-tmpr;
+                scFact2    = sc_num + 2*tmpr;
+                scEng      = scFact1*scFact1*scFact2*sc_denom;
+                scDer      = k3*scEng - 6*scFact1*(rs-tmpr)*sc_denom;
+              } else  {
+                scDer = k3;
+                scEng = 1.0;
+              }
+
+              //need to keep fpair3 separate from del3 for virial
+              fpair3[npair][kk][hh]  = scDer*tmpexp/tmpr;
+              tmpexp                *= scEng;
+              exps[npair][kk][hh]    = tmpexp;
+              del3[npair][kk][hh][0] = delxh;
+              del3[npair][kk][hh][1] = delyh;
+              del3[npair][kk][hh][2] = delzh;
+
+              //accumulate global vector of sum(e^kr)
+              //tags start at 1, so subtract one to index sumExp
+              sumExp[tag[k]-1] += tmpexp;
+              sumExp[tag[h]-1] += tmpexp;
+
+              addedH = true;
+            } else {
+              exps  [npair][kk][hh] = 0.0;
+              fpair3[npair][kk][hh] = 0.0;
+            } //if < rc3sq
+          } //end loop through 2 Hs
+        } //end for kk in NUMO
+        //if added a pair, check if array is too small and grow
+        if (addedH) {
+          npair++;
+          if (npair >= pairmax)
+            error->one(FLERR,"neigh is too small");
+        }
+      } //end if < rc3deltaSq
+    } //end for jj neigh
+
+    //add 2-body forces on i
+    f[i][0] += fix;
+    f[i][1] += fiy;
+    f[i][2] += fiz;
+  } //end for ii
+
+  //communicate sumExp array
+  //tested that no change in speed with MPI_IN_PLACE
+  MPI_Allreduce(MPI_IN_PLACE,sumExp,maxID,MPI_DOUBLE,MPI_SUM,world);
+
+  //now loop through list of pairs, calculating 3body forces
+  int j2,otherH;
+  double partA,partB,partC;
+  for (ii = 0; ii < npair; ii++) {
+
+    for (kk=0; kk<NUMO; kk++) {
+      i      = pairO[ii][kk];
+      otherO = (kk+1)%2;
+      partB = eb*(  sumExp[tag[pairO[ii][otherO]   ]-1]
+                    + sumExp[tag[pairH[ii][otherO][0]]-1]
+                    + sumExp[tag[pairH[ii][otherO][1]]-1]
+                    - 2*(exps[ii][otherO][0] + exps[ii][otherO][1]));
+      partC = ec*(sumExp[tag[i]-1] - exps[ii][kk][0] - exps[ii][kk][1]);
+
+      for (hh=0; hh<NUMH; hh++) {
+        j  = pairH[ii][kk][hh];
+
+        //type A
+        otherH = (hh+1)%2;
+        j2 = pairH[ii][kk][otherH];
+
+        partA = ea*(sumExp[tag[j2]-1] - exps[ii][kk][otherH]); //not full energy yet
+        fpair = partA*fpair3[ii][kk][hh];
+        fxtmp = fpair*del3[ii][kk][hh][0];
+        fytmp = fpair*del3[ii][kk][hh][1];
+        fztmp = fpair*del3[ii][kk][hh][2];
+
+        f[i][0] += fxtmp;
+        f[i][1] += fytmp;
+        f[i][2] += fztmp;
+        f[j][0] -= fxtmp;
+        f[j][1] -= fytmp;
+        f[j][2] -= fztmp;
+
+        if (evflag) {
+          evdwl = partA*exps[ii][kk][hh]*0.5; //mult by exp on this H
+          ev_tally(i,j,nlocal,newton_pair,evdwl, 0.0,fpair,
+                   del3[ii][kk][hh][0],del3[ii][kk][hh][1],del3[ii][kk][hh][2]);
+          pvector[1] += evdwl;
+        }
+
+        //type B
+        fpair = partB*fpair3[ii][kk][hh];
+        fxtmp = fpair*del3[ii][kk][hh][0];
+        fytmp = fpair*del3[ii][kk][hh][1];
+        fztmp = fpair*del3[ii][kk][hh][2];
+
+        f[i][0] += fxtmp;
+        f[i][1] += fytmp;
+        f[i][2] += fztmp;
+        f[j][0] -= fxtmp;
+        f[j][1] -= fytmp;
+        f[j][2] -= fztmp;
+
+        if (evflag) {
+          evdwl = partB*exps[ii][kk][hh]*0.5; //mult by exp on this H
+          ev_tally(i,j,nlocal,newton_pair,evdwl, 0.0,fpair,
+                   del3[ii][kk][hh][0],del3[ii][kk][hh][1],del3[ii][kk][hh][2]);
+          pvector[2] += evdwl;
+        }
+
+        //type C
+        fpair = partC*fpair3[ii][kk][hh];
+        fxtmp = fpair*del3[ii][kk][hh][0];
+        fytmp = fpair*del3[ii][kk][hh][1];
+        fztmp = fpair*del3[ii][kk][hh][2];
+
+        f[i][0] += fxtmp;
+        f[i][1] += fytmp;
+        f[i][2] += fztmp;
+        f[j][0] -= fxtmp;
+        f[j][1] -= fytmp;
+        f[j][2] -= fztmp;
+
+        if (evflag) {
+          evdwl = partC*exps[ii][kk][hh]*0.5; //mult by exp on this H
+          ev_tally(i,j,nlocal,newton_pair,evdwl, 0.0,fpair,
+                   del3[ii][kk][hh][0],del3[ii][kk][hh][1],del3[ii][kk][hh][2]);
+          pvector[3] += evdwl;
+        }
+      } //end for hh in NUMH
+    } //end for kk in NUMO
+  } //end for ii in npairs
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairE3B::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+}
+
+void PairE3B::allocateE3B()
+{
+  allocatedE3B = true;
+
+  //TODO: get memory->grow working for 4d arrays
+  pairmax = atom->nlocal*pairPerAtom;    //initial guess for size of pair lists
+  memory->create(pairO ,pairmax,NUMO         ,"pair:pairO");
+  memory->create(pairH ,pairmax,NUMO,NUMH    ,"pair:pairH");
+  memory->create(exps  ,pairmax,NUMO,NUMH    ,"pair:exps");
+  memory->create(fpair3,pairmax,NUMO,NUMH    ,"pair:fpair3");
+  memory->create(del3  ,pairmax,NUMO,NUMH,DIM,"pair:del3");
+
+  //set del3 to zero to silence valgrind memcheck errors
+  //don't need to do this in every call to compute() because we set
+  //exps and fpair3 to zero, and all uses of del3 are multiplied by one of those
+  int ii,jj,kk,ll;
+  for (ii=0; ii<pairmax; ii++)
+    for (jj=0; jj<NUMO; jj++)
+      for (kk=0; kk<NUMH; kk++)
+        for (ll=0; ll<DIM; ll++)
+          del3[ii][jj][kk][ll] = 0.0;
+
+  natoms=atom->natoms;
+  maxID=find_maxID();
+  if (!natoms)
+    error->all(FLERR,"No atoms found");
+  memory->create(sumExp,maxID,"pair:sumExp");
+  nbytes = sizeof(double) * maxID;
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairE3B::settings(int narg, char **arg)
+{
+  if (narg != 1) error->all(FLERR,"Illegal pair_style command");
+  typeO=force->inumeric(FLERR,arg[0]);
+  if (typeO<1 || typeO>atom->ntypes)
+    error->all(FLERR,"Invalid Otype: out of bounds");
+}
+
+/* ----------------------------------------------------------------------
+   coeffs must be * * keyword/value
+   keyword/values set the potential parameters
+------------------------------------------------------------------------- */
+void PairE3B::coeff(int narg, char **arg)
+{
+  if (!allocated) allocate();
+
+  //1=* 2=* 3/4=1st keyword/value
+  if (narg < 4)
+    error->all(FLERR,"There must be at least one keyword given to pair_coeff");
+
+  // ensure I,J args are * *
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+ // clear setflag since coeff() called once with I,J = * *
+  int n = atom->ntypes;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  setflag[typeO][typeO]=1;
+
+  //parse keyword/value pairs
+  double bondL=0.0; //OH bond length
+  bool repeatFlag=false;
+  int presetFlag;
+
+  //clear parameters
+  e2=ea=eb=ec=k3=k2=NAN;
+  rs=rc3=rc2=0.0;
+
+  int iarg = 2; //beginning of keyword/value pairs
+  while(iarg < narg) {
+    char *keyword = arg[iarg++];
+    if (checkKeyword(keyword,"Ea",1,narg-iarg))
+      ea=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"Eb",1,narg-iarg))
+      eb=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"Ec",1,narg-iarg))
+      ec=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"K3",1,narg-iarg))
+      k3=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"Rs",1,narg-iarg))
+      rs=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"Rc3",1,narg-iarg))
+      rc3=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"Rc2",1,narg-iarg))
+      rc2=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"bondL",1,narg-iarg))
+      bondL=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"E2",1,narg-iarg))
+      e2=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"K2",1,narg-iarg))
+      k2=force->numeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"neigh",1,narg-iarg))
+      pairPerAtom=force->inumeric(FLERR,arg[iarg++]);
+    else if (checkKeyword(keyword,"preset",1,narg-iarg)) {
+      presetFlag=force->inumeric(FLERR,arg[iarg++]);
+      presetParam(presetFlag,repeatFlag,bondL);
+    } else {
+      char str[256];
+      snprintf(str,256,"Keyword %s is unknown",keyword);
+      error->all(FLERR,str);
+    }
+  }
+
+  checkInputs(bondL);
+
+  //cutmax for neighbor listing
+  cutmax = std::max(rc2,rc3);
+  rc2sq  = rc2*rc2;
+  rc3sq  = rc3*rc3;
+  rc3deltaSq = (rc3+bondL)*(rc3+bondL);
+
+  double tmpfact=1.0/(rc3-rs);
+  sc_denom=tmpfact*tmpfact*tmpfact;
+  sc_num=rc3-3*rs;
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair styles
+------------------------------------------------------------------------- */
+
+void PairE3B::init_style()
+{
+  if (atom->tag_enable == 0)
+    error->all(FLERR,"Pair style E3B requires atom IDs");
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Pair style E3B requires newton pair on");
+
+  // need a half neighbor list
+  neighbor->request(this,instance_me);
+
+  if (!force->pair_match("tip4p",false,0))
+    if (comm->me==0) error->warning(FLERR,"E3B pair_style is designed for use with hybrid/overlay tip4p style");
+
+  if (!allocatedE3B) allocateE3B();
+}
+
+
+static const char cite_E3B1[] =
+  "Explicit Three-Body (E3B) potential for water:\n\n"
+  "@article{kumar_water_2008,\n"
+  "title = {Water Simulation Model with Explicit Three-Molecule Interactions},\n"
+  "volume = {112},\n"
+  "doi = {10.1021/jp8009468},\n"
+  "number = {28},\n"
+  "journal = {J Phys. Chem. B},\n"
+  "author = {Kumar, R. and Skinner, J. L.},\n"
+  "year = {2008},\n"
+  "pages = {8311--8318}\n"
+  "}\n\n";
+
+static const char cite_E3B2[] =
+  "Explicit Three-Body (E3B) potential for water:\n\n"
+  "@article{tainter_robust_2011,\n"
+  "title = {Robust three-body water simulation model},\n"
+  "volume = {134},\n"
+  "doi = {10.1063/1.3587053},\n"
+  "number = {18},\n"
+  "journal = {J. Chem. Phys},\n"
+  "author = {Tainter, C. J. and Pieniazek, P. A. and Lin, Y.-S. and Skinner, J. L.},\n"
+  "year = {2011},\n"
+  "pages = {184501}\n"
+  "}\n\n";
+
+static const char cite_E3B3[] =
+  "Explicit Three-Body (E3B) potential for water:\n\n"
+  "@article{tainter_reparametrized_2015,\n"
+  "title = {Reparametrized {E3B} (Explicit Three-Body) Water Model Using the {TIP4P/2005} Model as a Reference},\n"
+  "volume = {11},\n"
+  "doi = {10.1021/acs.jctc.5b00117},\n"
+  "number = {5},\n"
+  "journal = {J. Chem. Theory Comput.},\n"
+  "author = {Tainter, Craig J. and Shi, Liang and Skinner, James L.},\n"
+  "year = {2015},\n"
+  "pages = {2268--2277}\n"
+  "}\n\n";
+
+void PairE3B::presetParam(const int flag,bool &repeatFlag,double &bondL) {
+  if (repeatFlag) {
+    error->all(FLERR,
+               "Cannot request two different sets of preset parameters");
+  }
+  repeatFlag=true;
+
+  if (!std::isnan(ea) || !std::isnan(eb) || !std::isnan(ec) ||
+      !std::isnan(e2) || !std::isnan(k3) || !std::isnan(k2) ||
+      bondL!=0.0 || rs!=0.0 || rc3!=0.0 || rc2!=0.0 )
+    error->all(FLERR,"Preset keyword will overwrite another keyword setting");
+
+  double econv,lconv;
+  if (strcmp(update->unit_style,"real") == 0) {
+    econv=1.0/4.184;
+    lconv=1.0;
+  } else if (strcmp(update->unit_style,"metal") == 0) {
+    econv=0.103653271;
+    lconv=1.0;
+  } else if (strcmp(update->unit_style,"si") == 0) {
+    econv=1.660578e-21;
+    lconv=1e-10;
+  } else if (strcmp(update->unit_style,"cgs") == 0) {
+    econv=1.660578e-14;
+    lconv=1e-8;
+  } else {
+    char str[256];
+    snprintf(str,256,
+             "Pre-defined E3B parameters have not been set for %s units.",
+             update->unit_style);
+      error->all(FLERR,str);
+  }
+
+  //here parameters are defined in kJ/mol and A
+  //they will be converted to the lammps units after
+  if (flag==2008) {
+    error->all(FLERR,"\"preset 2008\" is not yet supported, because this would require distinct k3 coefficients, use \"preset 2011\" or \"preset 2015\"");
+    if (lmp->citeme) lmp->citeme->add(cite_E3B1);
+    ea  = 4699.6;
+    eb  =-2152.9;
+    ec  = 1312.7;
+    //ka  = 1.0/1.88;
+    //kb  = 1.0/1.71;
+    //kc  = 1.0/1.56;
+    e2  = 1.925e6;
+    k2  = 4.67;
+    rs  = 5.0;
+    rc3 = 5.2;
+    rc2 = 5.2;
+    bondL = 0.9572;
+  } else if (flag==2011) {
+    if (lmp->citeme) lmp->citeme->add(cite_E3B2);
+    ea  = 1745.7;
+    eb  =-4565.0;
+    ec  = 7606.8;
+    k3  = 1.907;
+    e2  = 2.349e6;
+    k2  = 4.872;
+    rs  = 5.0;
+    rc3 = 5.2;
+    rc2 = 5.2;
+    bondL = 0.9572;
+  } else if (flag==2015) {
+    if (lmp->citeme) lmp->citeme->add(cite_E3B3);
+    ea  = 150.0;
+    eb  =-1005.0;
+    ec  = 1880.0;
+    k3  = 1.907;
+    e2  = 0.453e6;
+    k2  = 4.872;
+    rs  = 5.0;
+    rc3 = 5.2;
+    rc2 = 5.2;
+    bondL = 0.9572;
+  } else
+    error->all(FLERR,"Unknown argument: preset only takes 2011 or 2015 as arguments");
+
+  //convert units
+  ea *= econv;
+  eb *= econv;
+  ec *= econv;
+  e2 *= econv;
+  k3 /= lconv;
+  k2 /= lconv;
+  rs *= lconv;
+  rc2 *= lconv;
+  rc3 *= lconv;
+  bondL *= lconv*BOND_DELTA;
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+//pair.cpp::init uses this to set cutsq array, used for neighboring, etc
+double PairE3B::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  return cutmax;
+}
+
+bool PairE3B::checkKeyword(const char *thiskey,const char *test,const int nVal, const int nRem) {
+  if (strcmp(thiskey,test) == 0) {
+    if(nRem<nVal) {
+      char str[256];
+      snprintf(str,256,"Too few arguments to \"%s\" keyword.",test);
+      error->all(FLERR,str);
+    }
+    return true;
+  }
+  return false;
+}
+
+//find max atom ID for all atoms
+//from fix_deposit.cpp
+tagint PairE3B::find_maxID()
+{
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+
+  tagint max = 0;
+  tagint maxID;
+  for (int i = 0; i < nlocal; i++) max = MAX(max,tag[i]);
+  MPI_Allreduce(&max,&maxID,1,MPI_LMP_TAGINT,MPI_MAX,world);
+
+  return maxID;
+}
+
+void PairE3B::checkInputs(const double &bondL) {
+  //first check that all necessary values were set
+  if (rc2==0.0)
+    error->all(FLERR,"rc2 keyword missing");
+  if (rs==0.0)
+    error->all(FLERR,"Rs keyword missing");
+  if (rc3==0.0)
+    error->all(FLERR,"Rc3 keyword missing");
+  if (bondL==0.0)
+    error->all(FLERR,"bondL keyword missing");
+  if (std::isnan(ea))
+    error->all(FLERR,"Ea keyword missing");
+  if (std::isnan(eb))
+    error->all(FLERR,"Eb keyword missing");
+  if (std::isnan(ec))
+    error->all(FLERR,"Ec keyword missing");
+  if (std::isnan(k3))
+    error->all(FLERR,"K3 keyword missing");
+  if (std::isnan(e2))
+    error->all(FLERR,"E2 keyword missing");
+  if (std::isnan(k2))
+    error->all(FLERR,"K2 keyword missing");
+
+  //now test that values are within acceptable ranges
+  if (k2 < 0.0 or k3 < 0.0)
+    error->all(FLERR,"exponential decay is negative");
+  if (bondL<0.0)
+    error->all(FLERR,"OH bond length is negative");
+  if (rc2 < 0.0 || rc3 < 0.0 || rs < 0.0)
+    error->all(FLERR,"potential cutoff is negative");
+  if (rs > rc3)
+    error->all(FLERR,"potential switching distance is larger than cutoff");
+  if (rs==rc3)
+    error->warning(FLERR,"potential switching distance is equal to cutoff: this is untested and not conserve energy");
+  if (pairPerAtom<0)
+    error->all(FLERR,"neigh is negative");
+}
diff --git a/src/USER-MISC/pair_e3b.h b/src/USER-MISC/pair_e3b.h
new file mode 100644
index 0000000000000000000000000000000000000000..b37eee57f6529379efd5465fb01a81d188cd74db
--- /dev/null
+++ b/src/USER-MISC/pair_e3b.h
@@ -0,0 +1,68 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(e3b,PairE3B)
+
+#else
+
+#ifndef LMP_PAIR_E3B_H
+#define LMP_PAIR_E3B_H
+
+#include "pair.h"
+
+namespace LAMMPS_NS {
+
+class PairE3B : public Pair {
+ public:
+  PairE3B(class LAMMPS *);
+  virtual ~PairE3B();
+  virtual void compute(int, int);
+  void settings(int, char **);
+  virtual void coeff(int, char **);
+  virtual double init_one(int, int);
+  virtual void init_style();
+
+protected:
+  //potential parameters
+  int typeO;
+  double ea,eb,ec;      //three body energies
+  double k3;            //three body exponential decay (units inverse length)
+  double rs,rc3,rc2;    //rs: switching cutuff, rc3: cutoff for 3-body
+  double e2,k2;         //2-body energy and exp decay
+  double cutmax;   //max cutoff of all interactions
+  double rc2sq,rc3sq,rc3deltaSq;
+  double sc_denom,sc_num;
+
+  //list of indexes of Os and Hs in each pair
+  int pairmax,pairPerAtom;      // size of pair list
+  int **pairO,***pairH;         // pair lists
+  double ***exps,****del3,***fpair3,*sumExp;
+  int maxID;  //size of global sumExp array
+  size_t nbytes;     //size of sumExp array in bytes
+  int natoms;        //to make sure number of atoms is constant
+
+  virtual void allocate();
+  void allocateE3B();
+  bool allocatedE3B;
+  //for reading settings from pair_style input
+  bool checkKeyword(const char *,const char *,const int, const int);
+  void checkInputs(const double &bondL);
+  void presetParam(const int flag,bool &repeatFlag,double &bondL);
+  tagint find_maxID();
+};
+}
+
+#endif
+#endif
diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp
index 491268567fbdf53b6048ee7bad8c207e93b65bb8..0b5220fdfd055ab07b0dea4ff13bd4ae58a306ed 100644
--- a/src/USER-MISC/pair_edip.cpp
+++ b/src/USER-MISC/pair_edip.cpp
@@ -149,8 +149,7 @@ void PairEDIP::compute(int eflag, int vflag)
   double potential2B_factor;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_edip_multi.cpp b/src/USER-MISC/pair_edip_multi.cpp
index f56650d2f6ccf951845b79dba9375c1a82cde9a3..ab48fbaa73fa49b166907f04cd8aa96363dcbd43 100644
--- a/src/USER-MISC/pair_edip_multi.cpp
+++ b/src/USER-MISC/pair_edip_multi.cpp
@@ -118,8 +118,7 @@ void PairEDIPMulti::compute(int eflag, int vflag)
  // vflag != 0 means compute virial contributions in this step
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_extep.cpp b/src/USER-MISC/pair_extep.cpp
index 364fd45016d1c8e68566b3c266deb7d6c2c3114f..bd5da71f4ab88345a72683e2536d5332670c43fc 100644
--- a/src/USER-MISC/pair_extep.cpp
+++ b/src/USER-MISC/pair_extep.cpp
@@ -19,6 +19,7 @@
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
+#include <cctype>
 #include "pair_extep.h"
 #include "atom.h"
 #include "neighbor.h"
@@ -190,8 +191,7 @@ void PairExTeP::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   SR_neigh();
 
@@ -706,7 +706,7 @@ void PairExTeP::read_file(char *file)
       error->all(FLERR,"Illegal ExTeP parameter");
 
     nparams++;
-    if (nparams >= pow(atom->ntypes,3)) break;
+    if (nparams >= pow(nelements,3)) break;
   }
 
   // deallocate words array
@@ -747,14 +747,24 @@ void PairExTeP::read_file(char *file)
     nwords = atom->count_words(line);
     if (nwords == 0) continue;
 
-    if (nwords != params_per_line)
-      error->all(FLERR,"Incorrect format in ExTeP potential file");
-
     // words = ptrs to all words in line
 
     nwords = 0;
     words[nwords++] = strtok(line," \t\n\r\f");
-    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+    while ((nwords < params_per_line)
+           && (words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+
+    // skip line if it is a leftover from the previous section,
+    // which can be identified by having 3 elements (instead of 2)
+    // as first words.
+     
+    if (isupper(words[0][0]) && isupper(words[1][0]) && isupper(words[2][0]))
+      continue;
+
+    // need to have two elements followed by a number in each line
+    if (!(isupper(words[0][0]) && isupper(words[1][0])
+        && !isupper(words[2][0])))
+      error->all(FLERR,"Incorrect format in ExTeP potential file");
 
     // ielement,jelement = 1st args
     // if all 3 args are in element list, then parse this line
@@ -1075,8 +1085,8 @@ void PairExTeP::costheta_d(double *rij_hat, double rij,
 // initialize spline for F_corr (based on PairLCBOP::F_conj)
 
 void PairExTeP::spline_init() {
-  for ( int iel=0; iel<atom->ntypes; iel++) {
-    for ( int jel=0; jel<atom->ntypes; jel++) {
+  for ( int iel=0; iel<nelements; iel++) {
+    for ( int jel=0; jel<nelements; jel++) {
       for ( int N_ij=0; N_ij<4; N_ij++ ) {
         for ( int N_ji=0; N_ji<4; N_ji++ ) {
           TF_corr_param &f = F_corr_param[iel][jel][N_ij][N_ji];
diff --git a/src/USER-MISC/pair_gauss_cut.cpp b/src/USER-MISC/pair_gauss_cut.cpp
index a000eff028ccb7e153f4837e04c5512905f8bad1..24d0b191d86b5109699d08968fe58ccd1732f950 100644
--- a/src/USER-MISC/pair_gauss_cut.cpp
+++ b/src/USER-MISC/pair_gauss_cut.cpp
@@ -69,8 +69,7 @@ void PairGaussCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
index 6257c1d72b903eccaa5de4f0422e0e5a44dba1bb..a41c660b7b9e8f5aed17ba27553e3f82ab24cb32 100644
--- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp
+++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
@@ -47,6 +47,7 @@ using namespace LAMMPS_NS;
 PairILPGrapheneHBN::PairILPGrapheneHBN(LAMMPS *lmp) : Pair(lmp)
 {
   restartinfo = 0;
+  one_coeff = 1;
 
   // initialize element to parameter maps
   nelements = 0;
@@ -71,7 +72,7 @@ PairILPGrapheneHBN::PairILPGrapheneHBN(LAMMPS *lmp) : Pair(lmp)
   // always compute energy offset
   offset_flag = 1;
 
-  // set comm size needed by this Pair
+  // set comm size needed by this pair style
   comm_forward = 39;
   tap_flag = 1;
 }
@@ -111,14 +112,13 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
   tagint itag,jtag;
   double prodnorm1,prodnorm2,fkcx,fkcy,fkcz;
   double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1,fpair2;
-  double rsq,r,Rcut,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vkc;
+  double rsq,r,Rcut,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vilp;
   double frho1,frho2,TSvdw,TSvdw2inv,Erep,fsum,rdsq1,rdsq2;
   int *ilist,*jlist,*numneigh,**firstneigh;
   int *ILP_neighs_i,*ILP_neighs_j;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -132,6 +132,10 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
   double fp2[3] = {0.0, 0.0, 0.0};
   double fprod1[3] = {0.0, 0.0, 0.0};
   double fprod2[3] = {0.0, 0.0, 0.0};
+  double fk[3] = {0.0, 0.0, 0.0};
+  double fl[3] = {0.0, 0.0, 0.0};
+  double delkj[3] = {0.0, 0.0, 0.0};
+  double delli[3] = {0.0, 0.0, 0.0};
 
   inum = list->inum;
   ilist = list->ilist;
@@ -214,7 +218,7 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
         frho1 = exp1*p.C;
         frho2 = exp2*p.C;
         Erep = p.epsilon + frho1 + frho2;
-        Vkc = -p.C6*r6inv/TSvdw + exp0*Erep;
+        Vilp = -p.C6*r6inv/TSvdw + exp0*Erep;
 
         // derivatives
         fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw-1.0)*TSvdw2inv*r8inv*r + p.lambda*exp0/r*Erep;
@@ -241,9 +245,9 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
         fprod2[0] = prodnorm2*dprodnorm2[0]*fpair2;
         fprod2[1] = prodnorm2*dprodnorm2[1]*fpair2;
         fprod2[2] = prodnorm2*dprodnorm2[2]*fpair2;
-        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vkc*dTap*delx/r;
-        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vkc*dTap*dely/r;
-        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vkc*dTap*delz/r;
+        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vilp*dTap*delx/r;
+        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vilp*dTap*dely/r;
+        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vilp*dTap*delz/r;
 
         f[i][0] += fkcx - fprod1[0]*Tap;
         f[i][1] += fkcy - fprod1[1]*Tap;
@@ -261,9 +265,16 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
           dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
           dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
           dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
-          f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
-          f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
-          f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+          fk[0] = (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
+          fk[1] = (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
+          fk[2] = (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+          f[k][0] += fk[0];
+          f[k][1] += fk[1];
+          f[k][2] += fk[2];
+          delkj[0] = x[k][0] - x[j][0];
+          delkj[1] = x[k][1] - x[j][1];
+          delkj[2] = x[k][2] - x[j][2];
+          if (evflag) ev_tally_xyz(k,j,nlocal,newton_pair,0.0,0.0,fk[0],fk[1],fk[2],delkj[0],delkj[1],delkj[2]);
         }
 
         // calculate the forces acted on the neighbors of atom j from atom i
@@ -275,20 +286,24 @@ void PairILPGrapheneHBN::compute(int eflag, int vflag)
           dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
           dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
           dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
-          f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
-          f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
-          f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+          fl[0] = (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
+          fl[1] = (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
+          fl[2] = (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+          f[l][0] += fl[0];
+          f[l][1] += fl[1];
+          f[l][2] += fl[2];
+          delli[0] = x[l][0] - x[i][0];
+          delli[1] = x[l][1] - x[i][1];
+          delli[2] = x[l][2] - x[i][2];
+          if (evflag) ev_tally_xyz(l,i,nlocal,newton_pair,0.0,0.0,fl[0],fl[1],fl[2],delli[0],delli[1],delli[2]);
         }
 
         if (eflag) {
-          if (tap_flag) evdwl = Tap*Vkc;
-          else  evdwl = Vkc - offset[itype][jtype];
+          if (tap_flag) evdwl = Tap*Vilp;
+          else  evdwl = Vilp - offset[itype][jtype];
         }
 
-        if (evflag){
-          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
-                       fkcx,fkcy,fkcz,delx,dely,delz);
-        }
+        if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0.0,fkcx,fkcy,fkcz,delx,dely,delz);
       }
     }
   }
@@ -434,7 +449,7 @@ void PairILPGrapheneHBN::calc_normal()
       // the magnitude of the normal vector
       nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
       nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
       // the unit normal vector
       normal[i][0] = n1[0]/nn;
       normal[i][1] = n1[1]/nn;
@@ -577,7 +592,7 @@ void PairILPGrapheneHBN::calc_normal()
       // the magnitude of the normal vector
       nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
       nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
       // the unit normal vector
       normal[i][0] = n1[0]/nn;
       normal[i][1] = n1[1]/nn;
@@ -617,7 +632,7 @@ void PairILPGrapheneHBN::calc_normal()
       }
     }
     else {
-      error->all(FLERR,"There are too many neighbors for calculating normals");
+      error->one(FLERR,"There are too many neighbors for calculating normals");
     }
 
 //##############################################################################################
@@ -724,8 +739,7 @@ void PairILPGrapheneHBN::ILP_neigh()
 
     ILP_firstneigh[i] = neighptr;
     ILP_numneigh[i] = n;
-    if (n == 0) error->all(FLERR,"Could not build neighbor list to calculate normals, please check your configuration");
-    if (n > 3) error->all(FLERR,"There are too many neighbors for some atoms, please check your configuration");
+    if (n > 3) error->one(FLERR,"There are too many neighbors for some atoms, please check your configuration");
     ipage->vgot(n);
     if (ipage->status())
       error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
@@ -788,9 +802,10 @@ void PairILPGrapheneHBN::coeff(int narg, char **arg)
     error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
 
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+  // insure I,J args are * *
+
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
 
   // read args that map atom types to elements in potential file
   // map[i] = which element the Ith atom type is, -1 if NULL
@@ -824,16 +839,23 @@ void PairILPGrapheneHBN::coeff(int narg, char **arg)
 
   read_file(arg[2]);
 
-  double cut_one = cut_global;
+  // clear setflag since coeff() called once with I,J = * *
+
+  n = atom->ntypes;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  // set setflag i,j for type pairs where both are mapped to elements
 
   int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      if (map[i] >= 0 && map[j] >= 0) {
+        setflag[i][j] = 1;
+        cut[i][j] = cut_global;
+        count++;
+      }
 
   if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 }
@@ -846,6 +868,8 @@ void PairILPGrapheneHBN::coeff(int narg, char **arg)
 double PairILPGrapheneHBN::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  if (!offset_flag)
+    error->all(FLERR,"Must use 'pair_modify shift yes' with this pair style");
 
   if (offset_flag  && (cut[i][j] > 0.0)) {
     int iparam_ij = elem2param[map[i]][map[j]];
@@ -1011,7 +1035,7 @@ double PairILPGrapheneHBN::single(int /*i*/, int /*j*/, int itype, int jtype, do
                          double &fforce)
 {
   double r,r2inv,r6inv,r8inv,forcelj,philj,fpair;
-  double Tap,dTap,Vkc,TSvdw,TSvdw2inv;
+  double Tap,dTap,Vilp,TSvdw,TSvdw2inv;
 
   int iparam_ij = elem2param[map[itype]][map[jtype]];
   Param& p = params[iparam_ij];
@@ -1029,13 +1053,13 @@ double PairILPGrapheneHBN::single(int /*i*/, int /*j*/, int itype, int jtype, do
 
   TSvdw = 1.0 + exp(-p.d*(r/p.seff - 1.0));
   TSvdw2inv = pow(TSvdw,-2.0);
-  Vkc = -p.C6*r6inv/TSvdw;
+  Vilp = -p.C6*r6inv/TSvdw;
   // derivatives
   fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw - 1.0)*r6inv*TSvdw2inv/r;
   forcelj = fpair;
-  fforce = factor_lj*(forcelj*Tap - Vkc*dTap/r);
+  fforce = factor_lj*(forcelj*Tap - Vilp*dTap/r);
 
-  philj = Vkc*Tap;
+  philj = Vilp*Tap;
   return factor_lj*philj;
 }
 
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
index cbcf6c7934b29e822ea797c7ac797e04b321ea64..e73278968d66a1b87ff8510d7bf11a897853cc7f 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
@@ -46,6 +46,9 @@ using namespace LAMMPS_NS;
 
 PairKolmogorovCrespiFull::PairKolmogorovCrespiFull(LAMMPS *lmp) : Pair(lmp)
 {
+  restartinfo = 0;
+  one_coeff = 1;
+
   // initialize element to parameter maps
   nelements = 0;
   elements = NULL;
@@ -115,8 +118,7 @@ void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
   int *KC_neighs_i,*KC_neighs_j;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -130,6 +132,10 @@ void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
   double fp2[3] = {0.0, 0.0, 0.0};
   double fprod1[3] = {0.0, 0.0, 0.0};
   double fprod2[3] = {0.0, 0.0, 0.0};
+  double fk[3] = {0.0, 0.0, 0.0};
+  double fl[3] = {0.0, 0.0, 0.0};
+  double delkj[3] = {0.0, 0.0, 0.0};
+  double delli[3] = {0.0, 0.0, 0.0};
 
   inum = list->inum;	
   ilist = list->ilist;
@@ -253,30 +259,44 @@ void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
 
 	// calculate the forces acted on the neighbors of atom i from atom j
 	KC_neighs_i = KC_firstneigh[i];
-  	for (kk = 0; kk < KC_numneigh[i]; kk++) {
+	for (kk = 0; kk < KC_numneigh[i]; kk++) {
 	  k = KC_neighs_i[kk];
           if (k == i) continue;
           // derivatives of the product of rij and ni respect to rk, k=0,1,2, where atom k is the neighbors of atom i
           dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
           dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
           dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
-	  f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
-	  f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
-	  f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+          fk[0] = (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
+          fk[1] = (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
+          fk[2] = (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+          f[k][0] += fk[0];
+          f[k][1] += fk[1];
+          f[k][2] += fk[2];
+          delkj[0] = x[k][0] - x[j][0];
+          delkj[1] = x[k][1] - x[j][1];
+          delkj[2] = x[k][2] - x[j][2];
+          if (evflag) ev_tally_xyz(k,j,nlocal,newton_pair,0.0,0.0,fk[0],fk[1],fk[2],delkj[0],delkj[1],delkj[2]);
 	}
 
 	// calculate the forces acted on the neighbors of atom j from atom i
 	KC_neighs_j = KC_firstneigh[j];
-  	for (ll = 0; ll < KC_numneigh[j]; ll++) {
+	for (ll = 0; ll < KC_numneigh[j]; ll++) {
 	  l = KC_neighs_j[ll];
           if (l == j) continue;
           // derivatives of the product of rji and nj respect to rl, l=0,1,2, where atom l is the neighbors of atom j
           dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
           dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
           dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
-	  f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
-	  f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
-	  f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+          fl[0] = (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
+          fl[1] = (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
+          fl[2] = (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+          f[l][0] += fl[0];
+          f[l][1] += fl[1];
+          f[l][2] += fl[2];
+          delli[0] = x[l][0] - x[i][0];
+          delli[1] = x[l][1] - x[i][1];
+          delli[2] = x[l][2] - x[i][2];
+          if (evflag) ev_tally_xyz(l,i,nlocal,newton_pair,0.0,0.0,fl[0],fl[1],fl[2],delli[0],delli[1],delli[2]);
 	}
 
         if (eflag) {
@@ -284,10 +304,7 @@ void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
           else  evdwl = Vkc - offset[itype][jtype];
         }
 
-        if (evflag){
-          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
-                       fkcx,fkcy,fkcz,delx,dely,delz);
-        }
+        if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,fkcx,fkcy,fkcz,delx,dely,delz);
       }
     }
   }
@@ -432,7 +449,7 @@ void PairKolmogorovCrespiFull::calc_normal()
       // the magnitude of the normal vector
       nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
       nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
       // the unit normal vector
       normal[i][0] = n1[0]/nn;
       normal[i][1] = n1[1]/nn;
@@ -580,7 +597,7 @@ void PairKolmogorovCrespiFull::calc_normal()
       // the magnitude of the normal vector
       nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
       nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      if (nn == 0) error->one(FLERR,"The magnitude of the normal vector is zero");
       // the unit normal vector
       normal[i][0] = n1[0]/nn;
       normal[i][1] = n1[1]/nn;
@@ -620,7 +637,7 @@ void PairKolmogorovCrespiFull::calc_normal()
       }
     }
     else {
-      error->all(FLERR,"There are too many neighbors for calculating normals");
+      error->one(FLERR,"There are too many neighbors for calculating normals");
     }
 
 //##############################################################################################
@@ -728,8 +745,7 @@ void PairKolmogorovCrespiFull::KC_neigh()
 
     KC_firstneigh[i] = neighptr;
     KC_numneigh[i] = n;
-    if (n == 0) error->all(FLERR,"Could not build neighbor list to calculate normals, please check your configuration");
-    if (n > 3) error->all(FLERR,"There are too many neighbors for some atoms, please check your configuration");
+    if (n > 3) error->one(FLERR,"There are too many neighbors for some atoms, please check your configuration");
     ipage->vgot(n);
     if (ipage->status())
       error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
@@ -792,9 +808,10 @@ void PairKolmogorovCrespiFull::coeff(int narg, char **arg)
     error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
 
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+  // insure I,J args are * *
+
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
 
   // read args that map atom types to elements in potential file
   // map[i] = which element the Ith atom type is, -1 if NULL
@@ -828,16 +845,23 @@ void PairKolmogorovCrespiFull::coeff(int narg, char **arg)
 
   read_file(arg[2]);
 
-  double cut_one = cut_global;
+  // clear setflag since coeff() called once with I,J = * *
+
+  n = atom->ntypes;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  // set setflag i,j for type pairs where both are mapped to elements
 
   int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      if (map[i] >= 0 && map[j] >= 0) {
+        setflag[i][j] = 1;
+        cut[i][j] = cut_global;
+        count++;
+      }
 
   if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 }
@@ -850,6 +874,8 @@ void PairKolmogorovCrespiFull::coeff(int narg, char **arg)
 double PairKolmogorovCrespiFull::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  if (!offset_flag)
+    error->all(FLERR,"Must use 'pair_modify shift yes' with this pair style");
 
   if (offset_flag && (cut[i][j] > 0.0)) {
     int iparam_ij = elem2param[map[i]][map[j]];
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
index e9583032fe28195a4f85be9957219c77893756ad..79d6aa3daf465a916ac868621a98d101bec760a3 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
@@ -87,8 +87,7 @@ void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -260,17 +259,18 @@ void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
     }
   }
 
-
   read_file(arg[2]);
 
-  double cut_one = cut_global;
+  // set setflag only for i,j pairs where both are mapped to elements
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {
     for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
+      if ((map[i] >=0) && (map[j] >= 0)) {
+        cut[i][j] = cut_global;
+        setflag[i][j] = 1;
+        count++;
+      }
     }
   }
 
@@ -285,6 +285,8 @@ void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
 double PairKolmogorovCrespiZ::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  if (!offset_flag)
+    error->all(FLERR,"Must use 'pair_modify shift yes' with this pair style");
 
   if (offset_flag && (cut[i][j] > 0.0)) {
     int iparam_ij = elem2param[map[i]][map[j]];
diff --git a/src/USER-MISC/pair_lebedeva_z.cpp b/src/USER-MISC/pair_lebedeva_z.cpp
index 5153857c2f2519d691089792024e0573cea6a069..c9d90e2850cfba58b7f9031d03fc1833d1cf9870 100644
--- a/src/USER-MISC/pair_lebedeva_z.cpp
+++ b/src/USER-MISC/pair_lebedeva_z.cpp
@@ -44,6 +44,7 @@ using namespace LAMMPS_NS;
 PairLebedevaZ::PairLebedevaZ(LAMMPS *lmp) : Pair(lmp)
 {
   single_enable = 0;
+  restartinfo = 0;
 
   // initialize element to parameter maps
   nelements = 0;
@@ -87,8 +88,7 @@ void PairLebedevaZ::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -255,17 +255,18 @@ void PairLebedevaZ::coeff(int narg, char **arg)
     }
   }
 
-
   read_file(arg[2]);
 
-  double cut_one = cut_global;
+  // set setflag only for i,j pairs where both are mapped to elements
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {
     for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
+      if ((map[i] >= 0) && (map[j] >= 0)) {
+        cut[i][j] = cut_global;
+        setflag[i][j] = 1;
+        count++;
+      }
     }
   }
 
@@ -280,6 +281,8 @@ void PairLebedevaZ::coeff(int narg, char **arg)
 double PairLebedevaZ::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+  if (!offset_flag)
+    error->all(FLERR,"Must use 'pair_modify shift yes' with this pair style");
 
   if (offset_flag && (cut[i][j] > 0.0)) {
     int iparam_ij = elem2param[map[i]][map[j]];
diff --git a/src/USER-MISC/pair_lennard_mdf.cpp b/src/USER-MISC/pair_lennard_mdf.cpp
index 4bc2da23f8060285b3e7f5be0cfae03e766c9ed7..e2e81e49438babcf3a7368f74d22868c234dcdca 100644
--- a/src/USER-MISC/pair_lennard_mdf.cpp
+++ b/src/USER-MISC/pair_lennard_mdf.cpp
@@ -65,8 +65,7 @@ void PairLJ_AB_MDF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -252,13 +251,7 @@ void PairLJ_AB_MDF::coeff(int narg, char **arg)
 
 double PairLJ_AB_MDF::init_one(int i, int j)
 {
-  if (setflag[i][j] == 0) {
-    aparm[i][j] = mix_energy(aparm[i][i],aparm[j][j],
-                               bparm[i][i],bparm[j][j]);
-    bparm[i][j] = mix_distance(bparm[i][i],bparm[j][j]);
-    cut_inner[i][j] = mix_distance(cut_inner[i][i],cut_inner[j][j]);
-    cut[i][j] = mix_distance(cut[i][i],cut[j][j]);
-  }
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
 
   cut_inner_sq[i][j] = cut_inner[i][j]*cut_inner[i][j];
 
diff --git a/src/USER-MISC/pair_list.cpp b/src/USER-MISC/pair_list.cpp
index aaeb586c1d544dca1916e9d1d0aceae7581c586c..562a60aa9939d4c8b92197fb2df91bbee37f8218 100644
--- a/src/USER-MISC/pair_list.cpp
+++ b/src/USER-MISC/pair_list.cpp
@@ -80,9 +80,7 @@ PairList::~PairList()
 
 void PairList::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global =
-         vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int newton_pair = force->newton_pair;
diff --git a/src/USER-MISC/pair_lj_expand_coul_long.cpp b/src/USER-MISC/pair_lj_expand_coul_long.cpp
index 79a3c2a49791346e5e22e5f3f5fbc9ca22294316..fe21538f2dfcc8c2d2e0098312ea671be1443190 100644
--- a/src/USER-MISC/pair_lj_expand_coul_long.cpp
+++ b/src/USER-MISC/pair_lj_expand_coul_long.cpp
@@ -91,8 +91,7 @@ void PairLJExpandCoulLong::compute(int eflag, int vflag)
   double rsq,rshift,rshiftsq,rshift2inv;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -412,8 +411,7 @@ void PairLJExpandCoulLong::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp
index 4cd21b1dbe51c2275c2f5ea000f1369437d5b337..cfe125f21fa8eeab6aabc723dd1aae0004a7f744 100644
--- a/src/USER-MISC/pair_lj_mdf.cpp
+++ b/src/USER-MISC/pair_lj_mdf.cpp
@@ -33,7 +33,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairLJMDF::PairLJMDF(LAMMPS *lmp) : Pair(lmp) {}
+PairLJMDF::PairLJMDF(LAMMPS *lmp) : Pair(lmp) {
+  writedata = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -65,8 +67,7 @@ void PairLJMDF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -350,6 +351,29 @@ void PairLJMDF::read_restart_settings(FILE *fp)
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
 }
 
+/* ----------------------------------------------------------------------
+   proc 0 writes to data file
+------------------------------------------------------------------------- */
+
+void PairLJMDF::write_data(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    fprintf(fp,"%d %g %g\n",i,epsilon[i][i],sigma[i][i]);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes all pairs to data file
+------------------------------------------------------------------------- */
+
+void PairLJMDF::write_data_all(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    for (int j = i; j <= atom->ntypes; j++)
+      fprintf(fp,"%d %d %g %g %g %g\n",
+              i,j,epsilon[i][j],sigma[i][j],
+              cut_inner[i][j],cut[i][j]);
+}
+
 /* ---------------------------------------------------------------------- */
 
 double PairLJMDF::single(int /*i*/, int /*j*/, int itype, int jtype,
diff --git a/src/USER-MISC/pair_lj_mdf.h b/src/USER-MISC/pair_lj_mdf.h
index c6236a923c5e809e535edf0f70c6387c38f565b0..6ce6fdda2c5c8adef81d44cd2688ddc78569079d 100644
--- a/src/USER-MISC/pair_lj_mdf.h
+++ b/src/USER-MISC/pair_lj_mdf.h
@@ -37,6 +37,8 @@ class PairLJMDF : public Pair {
   void read_restart(FILE *);
   void write_restart_settings(FILE *);
   void read_restart_settings(FILE *);
+  void write_data(FILE *);
+  void write_data_all(FILE *);
   double single(int, int, int, int, double, double, double, double &);
   void *extract(const char *, int &);
 
diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
index 523b2ca71a7b466f35939a67c7b5e9ac77501cac..af7d23370d162107a4dea8c3455d64dabe575008 100644
--- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
+++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
@@ -79,8 +79,7 @@ void PairLJSFDipoleSF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp
index 0300e2c7a28ba1a2271e955d2941beacf82dd14b..f09919ce0f14984a1825648d935950c9e0d63634 100644
--- a/src/USER-MISC/pair_meam_spline.cpp
+++ b/src/USER-MISC/pair_meam_spline.cpp
@@ -103,12 +103,7 @@ void PairMEAMSpline::compute(int eflag, int vflag)
   double* const * const forces = atom->f;
   const int ntypes = atom->ntypes;
 
-  if (eflag || vflag) {
-    ev_setup(eflag, vflag);
-  } else {
-    evflag = vflag_fdotr = eflag_global = 0;
-    vflag_global = eflag_atom = vflag_atom = 0;
-  }
+  ev_init(eflag, vflag);
 
   // Grow per-atom array if necessary
 
diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp
index e17c13865de93c3eea5a53e46fd59aea52fb26d2..af1e8788bddcebfa709b894d255eaf05739fac65 100644
--- a/src/USER-MISC/pair_meam_sw_spline.cpp
+++ b/src/USER-MISC/pair_meam_sw_spline.cpp
@@ -85,9 +85,7 @@ PairMEAMSWSpline::~PairMEAMSWSpline()
 
 void PairMEAMSWSpline::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag, vflag);
-  else evflag = vflag_fdotr =
-         eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag, vflag);
 
   double cutforcesq = cutoff*cutoff;
 
diff --git a/src/USER-MISC/pair_momb.cpp b/src/USER-MISC/pair_momb.cpp
index 927181ebf6362a0982de2ad8875fbd7dba85bb83..1716149a986cefbdc744ab817597117fcd986a7e 100644
--- a/src/USER-MISC/pair_momb.cpp
+++ b/src/USER-MISC/pair_momb.cpp
@@ -81,8 +81,7 @@ void PairMomb::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_morse_smooth_linear.cpp b/src/USER-MISC/pair_morse_smooth_linear.cpp
index a88e7a1a274dd852dccb871c2828acc64d687706..7c7973f830f954b30ff3ab8283ae8bc7ede409f7 100644
--- a/src/USER-MISC/pair_morse_smooth_linear.cpp
+++ b/src/USER-MISC/pair_morse_smooth_linear.cpp
@@ -60,8 +60,7 @@ void PairMorseSmoothLinear::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp
index 8f34e846c5a1aa0693fbc434321dcf334fb55079..01deaf0fbe01d20fdafcf3232ccc58cbcd267239 100644
--- a/src/USER-MISC/pair_srp.cpp
+++ b/src/USER-MISC/pair_srp.cpp
@@ -143,10 +143,7 @@ void PairSRP::compute(int eflag, int vflag)
 
 {
     // setup energy and virial
-    if (eflag || vflag)
-        ev_setup(eflag, vflag);
-    else
-        evflag = vflag_fdotr = 0;
+    ev_init(eflag, vflag);
 
     double **x = atom->x;
     double **f = atom->f;
diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp
index d1044cc3362f0c292acef9235d05ed3fd8b4c8fd..e0985d1dce00e6e4b0f6db5af13d2fef813d0d39 100644
--- a/src/USER-MISC/pair_tersoff_table.cpp
+++ b/src/USER-MISC/pair_tersoff_table.cpp
@@ -117,8 +117,7 @@ void PairTersoffTable::compute(int eflag, int vflag)
 
   double evdwl = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MOFFF/angle_class2_p6.cpp b/src/USER-MOFFF/angle_class2_p6.cpp
index d2a6e21e6be42c3e877e988a0fed430fde9c3aba..e8e6f279def7751d890acf08055cd8886f178f39 100644
--- a/src/USER-MOFFF/angle_class2_p6.cpp
+++ b/src/USER-MOFFF/angle_class2_p6.cpp
@@ -79,8 +79,7 @@ void AngleClass2P6::compute(int eflag, int vflag)
   double vx11,vx12,vy11,vy12,vz11,vz12,vx21,vx22,vy21,vy22,vz21,vz22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MOFFF/angle_cosine_buck6d.cpp b/src/USER-MOFFF/angle_cosine_buck6d.cpp
index f3580978023edd627399b682173c2e22a08b403c..3829d2b8dc3aa577302f50726c8f9be3f7bce6f8 100644
--- a/src/USER-MOFFF/angle_cosine_buck6d.cpp
+++ b/src/USER-MOFFF/angle_cosine_buck6d.cpp
@@ -69,8 +69,7 @@ void AngleCosineBuck6d::compute(int eflag, int vflag)
   double rcu,rqu,sme,smf;
 
   eangle = evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-3 virial contribution
 
diff --git a/src/USER-MOFFF/improper_inversion_harmonic.cpp b/src/USER-MOFFF/improper_inversion_harmonic.cpp
index 8404984b53a8d012dd37b73fe6949b05007d3c1e..3f1e61e54a16d45d25e964b1c32f6a0d931ba3b7 100644
--- a/src/USER-MOFFF/improper_inversion_harmonic.cpp
+++ b/src/USER-MOFFF/improper_inversion_harmonic.cpp
@@ -66,8 +66,7 @@ void ImproperInversionHarmonic::compute(int eflag, int vflag)
   double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z;
   double rrvb1,rrvb2,rrvb3,rr2vb1,rr2vb2,rr2vb3;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   int **improperlist = neighbor->improperlist;
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
index 1fc4644420801f7699e5d4b801a67363af2d51ad..282bb0c58f4aa60111ac2ee0677a06a3823fdc9d 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
@@ -48,29 +48,29 @@ PairBuck6dCoulGaussDSF::PairBuck6dCoulGaussDSF(LAMMPS *lmp) : Pair(lmp)
 
 PairBuck6dCoulGaussDSF::~PairBuck6dCoulGaussDSF()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(alpha_ij);
-      memory->destroy(f_shift_ij);
-      memory->destroy(e_shift_ij);
-      memory->destroy(buck6d1);
-      memory->destroy(buck6d2);
-      memory->destroy(buck6d3);
-      memory->destroy(buck6d4);
-      memory->destroy(c0);
-      memory->destroy(c1);
-      memory->destroy(c2);
-      memory->destroy(c3);
-      memory->destroy(c4);
-      memory->destroy(c5);
-      memory->destroy(rsmooth_sq);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(alpha_ij);
+    memory->destroy(f_shift_ij);
+    memory->destroy(e_shift_ij);
+    memory->destroy(buck6d1);
+    memory->destroy(buck6d2);
+    memory->destroy(buck6d3);
+    memory->destroy(buck6d4);
+    memory->destroy(c0);
+    memory->destroy(c1);
+    memory->destroy(c2);
+    memory->destroy(c3);
+    memory->destroy(c4);
+    memory->destroy(c5);
+    memory->destroy(rsmooth_sq);
+    memory->destroy(offset);
   }
 }
 
@@ -87,8 +87,7 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
index 1ca42d864e7abc53c1b73c4403db82f5582c96b6..d6a4121d21015d9ed39b2b2af2bea7118957b555 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
@@ -51,27 +51,27 @@ PairBuck6dCoulGaussLong::PairBuck6dCoulGaussLong(LAMMPS *lmp) : Pair(lmp)
 
 PairBuck6dCoulGaussLong::~PairBuck6dCoulGaussLong()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(alpha_ij);
-      memory->destroy(buck6d1);
-      memory->destroy(buck6d2);
-      memory->destroy(buck6d3);
-      memory->destroy(buck6d4);
-      memory->destroy(c0);
-      memory->destroy(c1);
-      memory->destroy(c2);
-      memory->destroy(c3);
-      memory->destroy(c4);
-      memory->destroy(c5);
-      memory->destroy(rsmooth_sq);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(alpha_ij);
+    memory->destroy(buck6d1);
+    memory->destroy(buck6d2);
+    memory->destroy(buck6d3);
+    memory->destroy(buck6d4);
+    memory->destroy(c0);
+    memory->destroy(c1);
+    memory->destroy(c2);
+    memory->destroy(c3);
+    memory->destroy(c4);
+    memory->destroy(c5);
+    memory->destroy(rsmooth_sq);
+    memory->destroy(offset);
   }
 }
 
@@ -89,8 +89,7 @@ void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-OMP/angle_charmm_omp.cpp b/src/USER-OMP/angle_charmm_omp.cpp
index 1f24438df3e44fb274f4e458fc4a873c96c5bdd6..118ba00226ae8f81ebacad7b63cbfff89587ae11 100644
--- a/src/USER-OMP/angle_charmm_omp.cpp
+++ b/src/USER-OMP/angle_charmm_omp.cpp
@@ -44,10 +44,7 @@ using namespace MathConst;
 
 void AngleCharmmOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_class2_omp.cpp b/src/USER-OMP/angle_class2_omp.cpp
index bd13e20bcc5827ef547370999b1654de4304942b..e072d136e19f02ac31b851992288d07fa419b358 100644
--- a/src/USER-OMP/angle_class2_omp.cpp
+++ b/src/USER-OMP/angle_class2_omp.cpp
@@ -44,10 +44,7 @@ AngleClass2OMP::AngleClass2OMP(class LAMMPS *lmp)
 
 void AngleClass2OMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_delta_omp.cpp b/src/USER-OMP/angle_cosine_delta_omp.cpp
index b3bb3e1f8a7e0f42c792929f962d8be05fc8ef0d..a6dfb20433f9b6723c8d914ffe7c0626c49ec7dc 100644
--- a/src/USER-OMP/angle_cosine_delta_omp.cpp
+++ b/src/USER-OMP/angle_cosine_delta_omp.cpp
@@ -44,10 +44,7 @@ AngleCosineDeltaOMP::AngleCosineDeltaOMP(class LAMMPS *lmp)
 
 void AngleCosineDeltaOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_omp.cpp b/src/USER-OMP/angle_cosine_omp.cpp
index 04b3870bc4e0220f631511a0d48d0e483f9878a9..9097c8569c3c013136c37df68696c73fbacb4794 100644
--- a/src/USER-OMP/angle_cosine_omp.cpp
+++ b/src/USER-OMP/angle_cosine_omp.cpp
@@ -44,10 +44,7 @@ AngleCosineOMP::AngleCosineOMP(class LAMMPS *lmp)
 
 void AngleCosineOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_periodic_omp.cpp b/src/USER-OMP/angle_cosine_periodic_omp.cpp
index 8060ebec7b0ef1fbad1c3a896009ec8fdd9dc56c..3fcea7ad1d1023cc5415c49e9067455e372c0ae0 100644
--- a/src/USER-OMP/angle_cosine_periodic_omp.cpp
+++ b/src/USER-OMP/angle_cosine_periodic_omp.cpp
@@ -46,10 +46,7 @@ AngleCosinePeriodicOMP::AngleCosinePeriodicOMP(class LAMMPS *lmp)
 
 void AngleCosinePeriodicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
index 3e00681ec930aef234a266d803bc3fb22ee95147..6bd2feb023b008840b352b5066dfb692e6a56850 100644
--- a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
@@ -44,10 +44,7 @@ AngleCosineShiftExpOMP::AngleCosineShiftExpOMP(class LAMMPS *lmp)
 
 void AngleCosineShiftExpOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_shift_omp.cpp b/src/USER-OMP/angle_cosine_shift_omp.cpp
index 0ab3df43594cc5caceeb0b760651bdc2e064f415..56486faac1dd7362ce285a02f779999cfc6be03e 100644
--- a/src/USER-OMP/angle_cosine_shift_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_omp.cpp
@@ -44,10 +44,7 @@ AngleCosineShiftOMP::AngleCosineShiftOMP(class LAMMPS *lmp)
 
 void AngleCosineShiftOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_cosine_squared_omp.cpp b/src/USER-OMP/angle_cosine_squared_omp.cpp
index a1b1ffdf1a9ee121f1aa3b0dce09a78bd5ded27c..6dd2a3bb3b8217167f5e61045de48857771a2b97 100644
--- a/src/USER-OMP/angle_cosine_squared_omp.cpp
+++ b/src/USER-OMP/angle_cosine_squared_omp.cpp
@@ -44,10 +44,7 @@ AngleCosineSquaredOMP::AngleCosineSquaredOMP(class LAMMPS *lmp)
 
 void AngleCosineSquaredOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_dipole_omp.cpp b/src/USER-OMP/angle_dipole_omp.cpp
index 92a5ba092edf1d5ad3c0ce0e19b1ef033a12c246..da2e819ee2ef22754d6741d72cd69cfb3263a5f0 100644
--- a/src/USER-OMP/angle_dipole_omp.cpp
+++ b/src/USER-OMP/angle_dipole_omp.cpp
@@ -45,10 +45,7 @@ AngleDipoleOMP::AngleDipoleOMP(class LAMMPS *lmp)
 
 void AngleDipoleOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   if (!force->newton_bond)
     error->all(FLERR,"'newton' flag for bonded interactions must be 'on'");
diff --git a/src/USER-OMP/angle_fourier_omp.cpp b/src/USER-OMP/angle_fourier_omp.cpp
index dfc713c3728be3795ca98576666c89e69cf0f29d..b2f9b47e05446564b342f3e1a5b04b310a45dc9e 100644
--- a/src/USER-OMP/angle_fourier_omp.cpp
+++ b/src/USER-OMP/angle_fourier_omp.cpp
@@ -44,10 +44,7 @@ AngleFourierOMP::AngleFourierOMP(class LAMMPS *lmp)
 
 void AngleFourierOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_fourier_simple_omp.cpp b/src/USER-OMP/angle_fourier_simple_omp.cpp
index dea7a8872340a655c14929543ae39af665197b70..93532a30e560c78de51cf0c4998e3494c52ef2a6 100644
--- a/src/USER-OMP/angle_fourier_simple_omp.cpp
+++ b/src/USER-OMP/angle_fourier_simple_omp.cpp
@@ -44,10 +44,7 @@ AngleFourierSimpleOMP::AngleFourierSimpleOMP(class LAMMPS *lmp)
 
 void AngleFourierSimpleOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_harmonic_omp.cpp b/src/USER-OMP/angle_harmonic_omp.cpp
index 0a71e5c9dd2ca645c59bf8166bdd48055350440a..824b25428730a8deb9c1fd34a2c5ba6de9a0a236 100644
--- a/src/USER-OMP/angle_harmonic_omp.cpp
+++ b/src/USER-OMP/angle_harmonic_omp.cpp
@@ -44,10 +44,7 @@ AngleHarmonicOMP::AngleHarmonicOMP(class LAMMPS *lmp)
 
 void AngleHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_quartic_omp.cpp b/src/USER-OMP/angle_quartic_omp.cpp
index 97a9b14f1dac16c87ab681fac72fc0c4e8ef1037..fff08ddb3993e9a8ab82fdc3a824eea91fab8c7d 100644
--- a/src/USER-OMP/angle_quartic_omp.cpp
+++ b/src/USER-OMP/angle_quartic_omp.cpp
@@ -44,10 +44,7 @@ AngleQuarticOMP::AngleQuarticOMP(class LAMMPS *lmp)
 
 void AngleQuarticOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_sdk_omp.cpp b/src/USER-OMP/angle_sdk_omp.cpp
index 9383a9af83cda57631cf88fe77434461c5802000..e8c762092ceefd89ff642a3d57eb00b6c446cad4 100644
--- a/src/USER-OMP/angle_sdk_omp.cpp
+++ b/src/USER-OMP/angle_sdk_omp.cpp
@@ -46,10 +46,7 @@ AngleSDKOMP::AngleSDKOMP(class LAMMPS *lmp)
 
 void AngleSDKOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/angle_table_omp.cpp b/src/USER-OMP/angle_table_omp.cpp
index c3d2307489087fd412e67c94a238122aeea0194c..d9d80b744d3bf56a3874250ad8098726864a47b5 100644
--- a/src/USER-OMP/angle_table_omp.cpp
+++ b/src/USER-OMP/angle_table_omp.cpp
@@ -44,10 +44,7 @@ AngleTableOMP::AngleTableOMP(class LAMMPS *lmp)
 
 void AngleTableOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_class2_omp.cpp b/src/USER-OMP/bond_class2_omp.cpp
index 1f9bcaa3204b054595664a027ef477c920374adc..fdd73c20b003605ce33e337de78a8daa84b79ce2 100644
--- a/src/USER-OMP/bond_class2_omp.cpp
+++ b/src/USER-OMP/bond_class2_omp.cpp
@@ -40,10 +40,7 @@ BondClass2OMP::BondClass2OMP(class LAMMPS *lmp)
 
 void BondClass2OMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_fene_expand_omp.cpp b/src/USER-OMP/bond_fene_expand_omp.cpp
index d002d454dd912612cf777f680adede7547d95654..a8eec117608adc6f99ce73232d9143200311e472 100644
--- a/src/USER-OMP/bond_fene_expand_omp.cpp
+++ b/src/USER-OMP/bond_fene_expand_omp.cpp
@@ -41,10 +41,7 @@ BondFENEExpandOMP::BondFENEExpandOMP(class LAMMPS *lmp)
 
 void BondFENEExpandOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_fene_omp.cpp b/src/USER-OMP/bond_fene_omp.cpp
index ba958e1d6f3fc52f97bf3ea2adb60fde9b19121b..be7dcd4b49c6cc0907999c56655f5a315cb829b5 100644
--- a/src/USER-OMP/bond_fene_omp.cpp
+++ b/src/USER-OMP/bond_fene_omp.cpp
@@ -41,10 +41,7 @@ BondFENEOMP::BondFENEOMP(class LAMMPS *lmp)
 
 void BondFENEOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_gromos_omp.cpp b/src/USER-OMP/bond_gromos_omp.cpp
index bcfde436d5338e4d7e93fd20e2fc02b167f2989a..8f0926c0e96b5d9145f4228f73ce1abdda0a71f3 100644
--- a/src/USER-OMP/bond_gromos_omp.cpp
+++ b/src/USER-OMP/bond_gromos_omp.cpp
@@ -39,10 +39,7 @@ BondGromosOMP::BondGromosOMP(class LAMMPS *lmp)
 
 void BondGromosOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_harmonic_omp.cpp b/src/USER-OMP/bond_harmonic_omp.cpp
index 46a93cbbdd60f089b2952acab2e395bf7a39c672..a3bb69c53c2d6ab84bce3fe99cffa0104c2cdf82 100644
--- a/src/USER-OMP/bond_harmonic_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_omp.cpp
@@ -39,10 +39,7 @@ BondHarmonicOMP::BondHarmonicOMP(class LAMMPS *lmp)
 
 void BondHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
index 5f39bb1b64beeeb977689da7ab31884ae05f7793..5c16e27a32fffd14f967777f198cad1e76beb27f 100644
--- a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
@@ -39,10 +39,7 @@ BondHarmonicShiftCutOMP::BondHarmonicShiftCutOMP(class LAMMPS *lmp)
 
 void BondHarmonicShiftCutOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_harmonic_shift_omp.cpp b/src/USER-OMP/bond_harmonic_shift_omp.cpp
index 8c260bfc9b12558670f1528f482ca8199da3ce7e..39e957c137d5d190c313207faf54865350efadca 100644
--- a/src/USER-OMP/bond_harmonic_shift_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_omp.cpp
@@ -39,10 +39,7 @@ BondHarmonicShiftOMP::BondHarmonicShiftOMP(class LAMMPS *lmp)
 
 void BondHarmonicShiftOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_morse_omp.cpp b/src/USER-OMP/bond_morse_omp.cpp
index 0c3cded71aa2ec6fab7ea44e8e3c5aa33c92b8d7..c0203de0d6e71e33ea4dac17c39528d5ac2b63d5 100644
--- a/src/USER-OMP/bond_morse_omp.cpp
+++ b/src/USER-OMP/bond_morse_omp.cpp
@@ -39,10 +39,7 @@ BondMorseOMP::BondMorseOMP(class LAMMPS *lmp)
 
 void BondMorseOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_nonlinear_omp.cpp b/src/USER-OMP/bond_nonlinear_omp.cpp
index cdc70eac8d18947f585902ee74dce696e0c3da57..8fa3daf8abd77a69e3467c34b0f86884a2662cd3 100644
--- a/src/USER-OMP/bond_nonlinear_omp.cpp
+++ b/src/USER-OMP/bond_nonlinear_omp.cpp
@@ -39,10 +39,7 @@ BondNonlinearOMP::BondNonlinearOMP(class LAMMPS *lmp)
 
 void BondNonlinearOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/bond_quartic_omp.cpp b/src/USER-OMP/bond_quartic_omp.cpp
index b2b1696bb41853b1205e143effa55972aa5d6328..fd0ccaf79d3e921599583ff33bb962ef9f931f67 100644
--- a/src/USER-OMP/bond_quartic_omp.cpp
+++ b/src/USER-OMP/bond_quartic_omp.cpp
@@ -40,10 +40,7 @@ BondQuarticOMP::BondQuarticOMP(class LAMMPS *lmp)
 
 void BondQuarticOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/USER-OMP/bond_table_omp.cpp b/src/USER-OMP/bond_table_omp.cpp
index 71dc23749655e558a82ce2a0990518ecb994debb..1616988385a0861272c9749b7344c8993ef9ce1d 100644
--- a/src/USER-OMP/bond_table_omp.cpp
+++ b/src/USER-OMP/bond_table_omp.cpp
@@ -39,10 +39,7 @@ BondTableOMP::BondTableOMP(class LAMMPS *lmp)
 
 void BondTableOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_charmm_omp.cpp b/src/USER-OMP/dihedral_charmm_omp.cpp
index 1bed4497740c111386ec027469c04204662528f0..b09863613ed6a367953744d9ebb876e793bdeef9 100644
--- a/src/USER-OMP/dihedral_charmm_omp.cpp
+++ b/src/USER-OMP/dihedral_charmm_omp.cpp
@@ -45,10 +45,7 @@ DihedralCharmmOMP::DihedralCharmmOMP(class LAMMPS *lmp)
 
 void DihedralCharmmOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   // insure pair->ev_tally() will use 1-4 virial contribution
 
diff --git a/src/USER-OMP/dihedral_class2_omp.cpp b/src/USER-OMP/dihedral_class2_omp.cpp
index c7ae1572c766c2aaf0ad2c0ac036628049f9fd4e..03ac9d9babbdd50662579cf6b9cb7e085f71260f 100644
--- a/src/USER-OMP/dihedral_class2_omp.cpp
+++ b/src/USER-OMP/dihedral_class2_omp.cpp
@@ -43,10 +43,7 @@ DihedralClass2OMP::DihedralClass2OMP(class LAMMPS *lmp)
 
 void DihedralClass2OMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
index c43b9900281e54009ddf790a7b0c5bf6a895d540..c64cad9fc3c61a36274dee57124c6a3eff187607 100644
--- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
@@ -43,10 +43,7 @@ DihedralCosineShiftExpOMP::DihedralCosineShiftExpOMP(class LAMMPS *lmp)
 
 void DihedralCosineShiftExpOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_fourier_omp.cpp b/src/USER-OMP/dihedral_fourier_omp.cpp
index 319acb0beb038eddb13384dc0cad10c5108fc00d..94bdae3795c104a7ddaa952cc133586f6efc2a73 100644
--- a/src/USER-OMP/dihedral_fourier_omp.cpp
+++ b/src/USER-OMP/dihedral_fourier_omp.cpp
@@ -44,10 +44,7 @@ DihedralFourierOMP::DihedralFourierOMP(class LAMMPS *lmp)
 
 void DihedralFourierOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_harmonic_omp.cpp b/src/USER-OMP/dihedral_harmonic_omp.cpp
index bb659cf2621a2929692fb0bed6cd076dda68cf25..10ccbd3d9f67d2b9fe14018f8cc9e6f068e6b752 100644
--- a/src/USER-OMP/dihedral_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_harmonic_omp.cpp
@@ -43,10 +43,7 @@ DihedralHarmonicOMP::DihedralHarmonicOMP(class LAMMPS *lmp)
 
 void DihedralHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_helix_omp.cpp b/src/USER-OMP/dihedral_helix_omp.cpp
index e40f084e547be390b30136135da554ada43b9deb..8c8e29cac0e6f6b9002b2919d5bd59984b5e2136 100644
--- a/src/USER-OMP/dihedral_helix_omp.cpp
+++ b/src/USER-OMP/dihedral_helix_omp.cpp
@@ -46,10 +46,7 @@ DihedralHelixOMP::DihedralHelixOMP(class LAMMPS *lmp)
 
 void DihedralHelixOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
index e10fc7b94a0bcac42abd3350f4dbe320aeed1b10..38961e1746b197e55617c41ec207297fc89d4857 100644
--- a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
@@ -43,10 +43,7 @@ DihedralMultiHarmonicOMP::DihedralMultiHarmonicOMP(class LAMMPS *lmp)
 
 void DihedralMultiHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_nharmonic_omp.cpp b/src/USER-OMP/dihedral_nharmonic_omp.cpp
index ad758fc89231cd71cb8797cfb069081acde252ff..e74238265ddb65b8f3c787c5a08e8dd35788c808 100644
--- a/src/USER-OMP/dihedral_nharmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_nharmonic_omp.cpp
@@ -43,10 +43,7 @@ DihedralNHarmonicOMP::DihedralNHarmonicOMP(class LAMMPS *lmp)
 
 void DihedralNHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_opls_omp.cpp b/src/USER-OMP/dihedral_opls_omp.cpp
index 53fddf51cbd6fe01fc236812b7b4d0db80d4d3cb..64eaffe6fe00753804fe592929bd6352401387f9 100644
--- a/src/USER-OMP/dihedral_opls_omp.cpp
+++ b/src/USER-OMP/dihedral_opls_omp.cpp
@@ -44,10 +44,7 @@ DihedralOPLSOMP::DihedralOPLSOMP(class LAMMPS *lmp)
 
 void DihedralOPLSOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_quadratic_omp.cpp b/src/USER-OMP/dihedral_quadratic_omp.cpp
index f6110cd5050ec580749530da13d699d74307d5b8..8df622b8475792d6d1e44de4c3f4baa9a10b76a0 100644
--- a/src/USER-OMP/dihedral_quadratic_omp.cpp
+++ b/src/USER-OMP/dihedral_quadratic_omp.cpp
@@ -44,10 +44,7 @@ DihedralQuadraticOMP::DihedralQuadraticOMP(class LAMMPS *lmp)
 
 void DihedralQuadraticOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/dihedral_table_omp.cpp b/src/USER-OMP/dihedral_table_omp.cpp
index 1457f7b2bf037a3da31f452bb13bb829cced5f9c..792ee90c261394b5717cae06c2ca65b1af4226a9 100644
--- a/src/USER-OMP/dihedral_table_omp.cpp
+++ b/src/USER-OMP/dihedral_table_omp.cpp
@@ -111,10 +111,7 @@ DihedralTableOMP::DihedralTableOMP(class LAMMPS *lmp)
 
 void DihedralTableOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/ewald_omp.cpp b/src/USER-OMP/ewald_omp.cpp
index 1fece5c31b58646515d78c23bcfb6ef7495396e7..b56fc25142d45ebf7e6b8cf6d1bc5f91fd44bcf2 100644
--- a/src/USER-OMP/ewald_omp.cpp
+++ b/src/USER-OMP/ewald_omp.cpp
@@ -61,9 +61,7 @@ void EwaldOMP::compute(int eflag, int vflag)
 {
   // set energy/virial flags
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // extend size of per-atom arrays if necessary
 
diff --git a/src/USER-OMP/fix_wall_gran_omp.cpp b/src/USER-OMP/fix_wall_gran_omp.cpp
deleted file mode 100644
index f01513538541566c30ee891cb78344406ef340d8..0000000000000000000000000000000000000000
--- a/src/USER-OMP/fix_wall_gran_omp.cpp
+++ /dev/null
@@ -1,186 +0,0 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Axel Kohlmeyer (Temple U)
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include "fix_wall_gran_omp.h"
-#include "atom.h"
-#include "memory.h"
-#include "neighbor.h"
-#include "update.h"
-
-using namespace LAMMPS_NS;
-using namespace FixConst;
-
-enum{XPLANE=0,YPLANE=1,ZPLANE=2,ZCYLINDER,REGION};    // XYZ PLANE need to be 0,1,2
-enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,BONDED_HISTORY};
-
-#define BIG 1.0e20
-
-/* ---------------------------------------------------------------------- */
-
-FixWallGranOMP::FixWallGranOMP(LAMMPS *lmp, int narg, char **arg) :
-  FixWallGran(lmp, narg, arg) { }
-
-/* ---------------------------------------------------------------------- */
-
-void FixWallGranOMP::post_force(int /* vflag */)
-{
-  double vwall[3];
-
-  // if just reneighbored:
-  // update rigid body masses for owned atoms if using FixRigid
-  //   body[i] = which body atom I is in, -1 if none
-  //   mass_body = mass of each rigid body
-
-  if (neighbor->ago == 0 && fix_rigid) {
-    int tmp;
-    const int * const body = (const int *) fix_rigid->extract("body",tmp);
-    double *mass_body = (double *) fix_rigid->extract("masstotal",tmp);
-    if (atom->nmax > nmax) {
-      memory->destroy(mass_rigid);
-      nmax = atom->nmax;
-      memory->create(mass_rigid,nmax,"wall/gran:mass_rigid");
-    }
-    const int nlocal = atom->nlocal;
-    for (int i = 0; i < nlocal; i++) {
-      if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]];
-      else mass_rigid[i] = 0.0;
-    }
-  }
-
-  // set position of wall to initial settings and velocity to 0.0
-  // if wiggle or shear, set wall position and velocity accordingly
-
-  double wlo = lo;
-  double whi = hi;
-  vwall[0] = vwall[1] = vwall[2] = 0.0;
-  if (wiggle) {
-    double arg = omega * (update->ntimestep - time_origin) * dt;
-    if (wallstyle == axis) {
-      wlo = lo + amplitude - amplitude*cos(arg);
-      whi = hi + amplitude - amplitude*cos(arg);
-    }
-    vwall[axis] = amplitude*omega*sin(arg);
-  } else if (wshear) vwall[axis] = vshear;
-
-  // loop over all my atoms
-  // rsq = distance from wall
-  // dx,dy,dz = signed distance from wall
-  // for rotating cylinder, reset vwall based on particle position
-  // skip atom if not close enough to wall
-  //   if wall was set to NULL, it's skipped since lo/hi are infinity
-  // compute force and torque on atom if close enough to wall
-  //   via wall potential matched to pair potential
-  // set shear if pair potential stores history
-
-  double * const * const x = atom->x;
-  double * const * const v = atom->v;
-  double * const * const f = atom->f;
-  double * const * const omega = atom->omega;
-  double * const * const torque = atom->torque;
-  double * const radius = atom->radius;
-  double * const rmass = atom->rmass;
-  const int * const mask = atom->mask;
-  const int nlocal = atom->nlocal;
-
-  shearupdate = (update->setupflag) ? 0 : 1;
-
-  int i;
-#if defined(_OPENMP)
-#pragma omp parallel for private(i) default(none) firstprivate(vwall,wlo,whi)
-#endif
-  for (i = 0; i < nlocal; i++) {
-
-    if (mask[i] & groupbit) {
-      double dx,dy,dz,del1,del2,delxy,delr,rsq;
-      double rwall = 0.0;
-
-      dx = dy = dz = 0.0;
-
-      if (wallstyle == XPLANE) {
-        del1 = x[i][0] - wlo;
-        del2 = whi - x[i][0];
-        if (del1 < del2) dx = del1;
-        else dx = -del2;
-      } else if (wallstyle == YPLANE) {
-        del1 = x[i][1] - wlo;
-        del2 = whi - x[i][1];
-        if (del1 < del2) dy = del1;
-        else dy = -del2;
-      } else if (wallstyle == ZPLANE) {
-        del1 = x[i][2] - wlo;
-        del2 = whi - x[i][2];
-        if (del1 < del2) dz = del1;
-        else dz = -del2;
-      } else if (wallstyle == ZCYLINDER) {
-        delxy = sqrt(x[i][0]*x[i][0] + x[i][1]*x[i][1]);
-        delr = cylradius - delxy;
-        if (delr > radius[i]) {
-          dz = cylradius;
-          rwall = 0.0;
-        } else {
-          dx = -delr/delxy * x[i][0];
-          dy = -delr/delxy * x[i][1];
-          rwall = (delxy < cylradius) ? -2*cylradius : 2*cylradius;
-          if (wshear && axis != 2) {
-            vwall[0] += vshear * x[i][1]/delxy;
-            vwall[1] += -vshear * x[i][0]/delxy;
-            vwall[2] = 0.0;
-          }
-        }
-      }
-
-      rsq = dx*dx + dy*dy + dz*dz;
-
-      if (rsq > radius[i]*radius[i]) {
-        if (history)
-          for (int j = 0; j < sheardim; j++)
-            shearone[i][j] = 0.0;
-
-      } else {
-
-        // meff = effective mass of sphere
-        // if I is part of rigid body, use body mass
-
-        double meff = rmass[i];
-        if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
-
-        // invoke sphere/wall interaction
-
-        if (pairstyle == HOOKE)
-          hooke(rsq,dx,dy,dz,vwall,v[i],f[i],
-                omega[i],torque[i],radius[i],meff);
-        else if (pairstyle == HOOKE_HISTORY)
-          hooke_history(rsq,dx,dy,dz,vwall,v[i],f[i],
-                        omega[i],torque[i],radius[i],meff,shearone[i]);
-        else if (pairstyle == HERTZ_HISTORY)
-          hertz_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
-                        omega[i],torque[i],radius[i],meff,shearone[i]);
-        else if (pairstyle == BONDED_HISTORY)
-          bonded_history(rsq,dx,dy,dz,vwall,rwall,v[i],f[i],
-                         omega[i],torque[i],radius[i],meff,shearone[i]);
-      }
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void FixWallGranOMP::post_force_respa(int vflag, int ilevel, int /* iloop */)
-{
-  if (ilevel == nlevels_respa-1) post_force(vflag);
-}
diff --git a/src/USER-OMP/fix_wall_gran_omp.h b/src/USER-OMP/fix_wall_gran_omp.h
deleted file mode 100644
index cd26a7b40a3c4f4d7161b3f134c331ad40a4fe3c..0000000000000000000000000000000000000000
--- a/src/USER-OMP/fix_wall_gran_omp.h
+++ /dev/null
@@ -1,38 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef FIX_CLASS
-
-FixStyle(wall/gran/omp,FixWallGranOMP)
-
-#else
-
-#ifndef LMP_FIX_WALL_GRAN_OMP_H
-#define LMP_FIX_WALL_GRAN_OMP_H
-
-#include "fix_wall_gran.h"
-
-namespace LAMMPS_NS {
-
-class FixWallGranOMP : public FixWallGran {
-
- public:
-  FixWallGranOMP(class LAMMPS *, int, char **);
-  virtual void post_force(int);
-  virtual void post_force_respa(int, int, int);
-};
-
-}
-
-#endif
-#endif
diff --git a/src/USER-OMP/improper_class2_omp.cpp b/src/USER-OMP/improper_class2_omp.cpp
index 7184cbeb69b7800cc7477803b29df83e2af5fc10..c2b493f425b0df8a116b1d803f6f0b994d1eabcc 100644
--- a/src/USER-OMP/improper_class2_omp.cpp
+++ b/src/USER-OMP/improper_class2_omp.cpp
@@ -43,10 +43,7 @@ ImproperClass2OMP::ImproperClass2OMP(class LAMMPS *lmp)
 
 void ImproperClass2OMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_cossq_omp.cpp b/src/USER-OMP/improper_cossq_omp.cpp
index 022cfa6adf8216c80ce8ffd78068241ae35061be..3b328e5b78a054d9141658efccf303976147fd77 100644
--- a/src/USER-OMP/improper_cossq_omp.cpp
+++ b/src/USER-OMP/improper_cossq_omp.cpp
@@ -43,10 +43,7 @@ ImproperCossqOMP::ImproperCossqOMP(class LAMMPS *lmp)
 
 void ImproperCossqOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_cvff_omp.cpp b/src/USER-OMP/improper_cvff_omp.cpp
index 78c5a55e054da887354dc8707a026c9ddc9cb0da..fe1fc45bec8179f1c7c8bde19bcac4e469e99d44 100644
--- a/src/USER-OMP/improper_cvff_omp.cpp
+++ b/src/USER-OMP/improper_cvff_omp.cpp
@@ -43,10 +43,7 @@ ImproperCvffOMP::ImproperCvffOMP(class LAMMPS *lmp)
 
 void ImproperCvffOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_fourier_omp.cpp b/src/USER-OMP/improper_fourier_omp.cpp
index 77dd36b64f62d014bf3335178585bed290794b37..b5af428cb97caa9c3a9fa885752b0e810f55eafe 100644
--- a/src/USER-OMP/improper_fourier_omp.cpp
+++ b/src/USER-OMP/improper_fourier_omp.cpp
@@ -43,10 +43,7 @@ ImproperFourierOMP::ImproperFourierOMP(class LAMMPS *lmp)
 
 void ImproperFourierOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_harmonic_omp.cpp b/src/USER-OMP/improper_harmonic_omp.cpp
index 3f1895142df47ebc6a6cfd532ff53e12a2517cff..6e02d0968e832068ef8a344cdc11641f9216946d 100644
--- a/src/USER-OMP/improper_harmonic_omp.cpp
+++ b/src/USER-OMP/improper_harmonic_omp.cpp
@@ -43,10 +43,7 @@ ImproperHarmonicOMP::ImproperHarmonicOMP(class LAMMPS *lmp)
 
 void ImproperHarmonicOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_ring_omp.cpp b/src/USER-OMP/improper_ring_omp.cpp
index 7970de3839a8c98b92a68f65b8655110c3eda320..e198b993376154dacf288635517f9884eb45919d 100644
--- a/src/USER-OMP/improper_ring_omp.cpp
+++ b/src/USER-OMP/improper_ring_omp.cpp
@@ -45,10 +45,7 @@ ImproperRingOMP::ImproperRingOMP(class LAMMPS *lmp)
 
 void ImproperRingOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/improper_umbrella_omp.cpp b/src/USER-OMP/improper_umbrella_omp.cpp
index 69d41176c64287c55a3663f4db259df03bd5b319..ceaca3507472fe91770ac93301abd17560b98a91 100644
--- a/src/USER-OMP/improper_umbrella_omp.cpp
+++ b/src/USER-OMP/improper_umbrella_omp.cpp
@@ -43,10 +43,7 @@ ImproperUmbrellaOMP::ImproperUmbrellaOMP(class LAMMPS *lmp)
 
 void ImproperUmbrellaOMP::compute(int eflag, int vflag)
 {
-
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/msm_cg_omp.cpp b/src/USER-OMP/msm_cg_omp.cpp
index dee9fd85b61b2d27893e8f8472033ea35d789509..8a920e05d57f5a4927f8c40e4f56e648b5ae1be0 100644
--- a/src/USER-OMP/msm_cg_omp.cpp
+++ b/src/USER-OMP/msm_cg_omp.cpp
@@ -90,9 +90,7 @@ void MSMCGOMP::compute(int eflag, int vflag)
 
   // set energy/virial flags
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-    eflag_atom = vflag_atom = eflag_either = vflag_either = 0;
+  ev_init(eflag,vflag);
 
   // invoke allocate_peratom() if needed for first time
 
diff --git a/src/USER-OMP/pair_adp_omp.cpp b/src/USER-OMP/pair_adp_omp.cpp
index 264169773b9af8cb988377ebef73b187583013d2..645d6979944d03531ed0391b06b0ba4a53f5a30c 100644
--- a/src/USER-OMP/pair_adp_omp.cpp
+++ b/src/USER-OMP/pair_adp_omp.cpp
@@ -39,9 +39,7 @@ PairADPOMP::PairADPOMP(LAMMPS *lmp) :
 
 void PairADPOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_agni_omp.cpp b/src/USER-OMP/pair_agni_omp.cpp
index e8f003ea881674165d42e15053c2766b9be8a27e..854bcbebf33e4b2519782804b712290d74b0107e 100644
--- a/src/USER-OMP/pair_agni_omp.cpp
+++ b/src/USER-OMP/pair_agni_omp.cpp
@@ -42,9 +42,7 @@ PairAGNIOMP::PairAGNIOMP(LAMMPS *lmp) :
 
 void PairAGNIOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_airebo_morse_omp.cpp b/src/USER-OMP/pair_airebo_morse_omp.cpp
index b923775a272761da0fa1924542ab380efa2fb20b..5d5ac0b885bfaeccd9f714d7c3130d94d583784d 100644
--- a/src/USER-OMP/pair_airebo_morse_omp.cpp
+++ b/src/USER-OMP/pair_airebo_morse_omp.cpp
@@ -19,7 +19,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairAIREBOMorseOMP::PairAIREBOMorseOMP(LAMMPS *lmp) : PairAIREBOOMP(lmp) {}
+PairAIREBOMorseOMP::PairAIREBOMorseOMP(LAMMPS *lmp) : PairAIREBOOMP(lmp) {
+  variant = AIREBO_M;
+}
 
 /* ----------------------------------------------------------------------
    global settings
diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp
index ec5c02d7270bd642534ea17b152190c8df0a8619..bed6c81ee4ded6ca485cef1348283f5934104145 100644
--- a/src/USER-OMP/pair_airebo_omp.cpp
+++ b/src/USER-OMP/pair_airebo_omp.cpp
@@ -49,9 +49,7 @@ void PairAIREBOOMP::compute(int eflag, int vflag)
 {
   double pv0=0.0,pv1=0.0,pv2=0.0;
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   REBO_neigh_thr();
 
diff --git a/src/USER-OMP/pair_beck_omp.cpp b/src/USER-OMP/pair_beck_omp.cpp
index 1494ec2987e09864b7b69f01cec12b59197d5bd5..90c37779329a65c90bf4604bb43a59b2c9eb8547 100644
--- a/src/USER-OMP/pair_beck_omp.cpp
+++ b/src/USER-OMP/pair_beck_omp.cpp
@@ -38,9 +38,7 @@ PairBeckOMP::PairBeckOMP(LAMMPS *lmp) :
 
 void PairBeckOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_born_coul_long_omp.cpp b/src/USER-OMP/pair_born_coul_long_omp.cpp
index f1981844066c3eab95133ef67957a8b9786414a7..a5df8f81825ade442773177e1ae83eb658a1225d 100644
--- a/src/USER-OMP/pair_born_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_long_omp.cpp
@@ -44,9 +44,7 @@ PairBornCoulLongOMP::PairBornCoulLongOMP(LAMMPS *lmp) :
 
 void PairBornCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_born_coul_msm_omp.cpp b/src/USER-OMP/pair_born_coul_msm_omp.cpp
index 1b4757359f6a84b027a7e18078b8d7576993c64d..ad1e5e63cd03f1ed35fcf4778d4f365c47603303 100644
--- a/src/USER-OMP/pair_born_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_msm_omp.cpp
@@ -41,9 +41,7 @@ void PairBornCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
       "with OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.cpp b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
index 7904181ba594994be359c77c72dcf0be97d77082..567eddc9cb5e830e1ceefbeaf596f4e28b3c6e3d 100644
--- a/src/USER-OMP/pair_born_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
@@ -38,9 +38,7 @@ PairBornCoulWolfOMP::PairBornCoulWolfOMP(LAMMPS *lmp) :
 
 void PairBornCoulWolfOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_born_omp.cpp b/src/USER-OMP/pair_born_omp.cpp
index f75d4b9f35a6ba81467c382f6ce43f9052e0d4c6..fce2013745f4b241777f1c47a27473689249f6f3 100644
--- a/src/USER-OMP/pair_born_omp.cpp
+++ b/src/USER-OMP/pair_born_omp.cpp
@@ -36,9 +36,7 @@ PairBornOMP::PairBornOMP(LAMMPS *lmp) :
 
 void PairBornOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_brownian_omp.cpp b/src/USER-OMP/pair_brownian_omp.cpp
index b1af821bba876a95dd27919c5d4abef736aa4af0..cef9fb0955c7f313a572fdb8525b174be5c28cf2 100644
--- a/src/USER-OMP/pair_brownian_omp.cpp
+++ b/src/USER-OMP/pair_brownian_omp.cpp
@@ -68,9 +68,7 @@ PairBrownianOMP::~PairBrownianOMP()
 
 void PairBrownianOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int inum = list->inum;
diff --git a/src/USER-OMP/pair_brownian_poly_omp.cpp b/src/USER-OMP/pair_brownian_poly_omp.cpp
index 2e677ed535220e11bf13ccbe4068a5bffebb91f8..239a82024272cb5e60b92596df10280dc5db8c52 100644
--- a/src/USER-OMP/pair_brownian_poly_omp.cpp
+++ b/src/USER-OMP/pair_brownian_poly_omp.cpp
@@ -68,9 +68,7 @@ PairBrownianPolyOMP::~PairBrownianPolyOMP()
 
 void PairBrownianPolyOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int inum = list->inum;
diff --git a/src/USER-OMP/pair_buck_coul_cut_omp.cpp b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
index 8fa6be06b2ef595fd6d029e101d07e98e298632e..b9b77dc2b6bb83d087f7b568414589dea0954462 100644
--- a/src/USER-OMP/pair_buck_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
@@ -36,9 +36,7 @@ PairBuckCoulCutOMP::PairBuckCoulCutOMP(LAMMPS *lmp) :
 
 void PairBuckCoulCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_buck_coul_long_omp.cpp b/src/USER-OMP/pair_buck_coul_long_omp.cpp
index 4d30eb3e82d991be28bf00ba4fc7ec67b4216bc8..951ba0688c74df271340237b8df2373269c16013 100644
--- a/src/USER-OMP/pair_buck_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_long_omp.cpp
@@ -44,9 +44,7 @@ PairBuckCoulLongOMP::PairBuckCoulLongOMP(LAMMPS *lmp) :
 
 void PairBuckCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.cpp b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
index a8bca36394bd5b4415ce840a238cdaaa195ab8df..62261916279c53146ea5741d6d909d315acdae65 100644
--- a/src/USER-OMP/pair_buck_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
@@ -41,9 +41,7 @@ void PairBuckCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
       "with OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
index acb95ab76cd8c49f63940edb5c2300e9ae910aa1..20d380a464440d2b8f5e62516a4fad348e7cd55e 100644
--- a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
@@ -46,9 +46,8 @@ PairBuckLongCoulLongOMP::PairBuckLongCoulLongOMP(LAMMPS *lmp) :
 
 void PairBuckLongCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+
   const int order1 = ewald_order&(1<<1);
   const int order6 = ewald_order&(1<<6);
 
diff --git a/src/USER-OMP/pair_buck_omp.cpp b/src/USER-OMP/pair_buck_omp.cpp
index f3fa32a5ea231fc772c3edd6596c43e85a644ded..cc7e81b9c5084ed5c4145ef0d889197f73007ebf 100644
--- a/src/USER-OMP/pair_buck_omp.cpp
+++ b/src/USER-OMP/pair_buck_omp.cpp
@@ -36,9 +36,7 @@ PairBuckOMP::PairBuckOMP(LAMMPS *lmp) :
 
 void PairBuckOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_colloid_omp.cpp b/src/USER-OMP/pair_colloid_omp.cpp
index 536b7644bd4f12efcd0818ae18f57cdf656b0b6d..64613cb31d56e2874fb9b58b7600afce18ed2fbc 100644
--- a/src/USER-OMP/pair_colloid_omp.cpp
+++ b/src/USER-OMP/pair_colloid_omp.cpp
@@ -39,9 +39,7 @@ PairColloidOMP::PairColloidOMP(LAMMPS *lmp) :
 
 void PairColloidOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp
index 8a77ab955fdeba423203938e0bd50012b4228621..be641dd0b94c5c3784ecc7dcbcd400df558a4470 100644
--- a/src/USER-OMP/pair_comb_omp.cpp
+++ b/src/USER-OMP/pair_comb_omp.cpp
@@ -41,9 +41,7 @@ PairCombOMP::PairCombOMP(LAMMPS *lmp) :
 
 void PairCombOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_cut_omp.cpp b/src/USER-OMP/pair_coul_cut_omp.cpp
index b9ac72421ef874728a22ad24279840210fdefb7a..056daf210a5ce678620777ceff3f672df4fe95ff 100644
--- a/src/USER-OMP/pair_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_omp.cpp
@@ -36,9 +36,7 @@ PairCoulCutOMP::PairCoulCutOMP(LAMMPS *lmp) :
 
 void PairCoulCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
index c7e8c5e5603a0765e4911f5d34357cd1181089e3..70997da62bd45455a0796b4ac2183dc219df61b7 100644
--- a/src/USER-OMP/pair_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
@@ -36,9 +36,7 @@ PairCoulCutSoftOMP::PairCoulCutSoftOMP(LAMMPS *lmp) :
 
 void PairCoulCutSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_debye_omp.cpp b/src/USER-OMP/pair_coul_debye_omp.cpp
index cb7a9025ce718bf297bc83b1e718c20a32fd4a34..d202e314bfa65888960ccb19939abb89b3026734 100644
--- a/src/USER-OMP/pair_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_coul_debye_omp.cpp
@@ -36,9 +36,7 @@ PairCoulDebyeOMP::PairCoulDebyeOMP(LAMMPS *lmp) :
 
 void PairCoulDebyeOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_diel_omp.cpp b/src/USER-OMP/pair_coul_diel_omp.cpp
index c75e36b55ee842c05c8f9ca8de58875fa8c08ae8..f2bb6a46bfad6d1929d5dcf3d1f12f879642acb5 100644
--- a/src/USER-OMP/pair_coul_diel_omp.cpp
+++ b/src/USER-OMP/pair_coul_diel_omp.cpp
@@ -36,9 +36,7 @@ PairCoulDielOMP::PairCoulDielOMP(LAMMPS *lmp) :
 
 void PairCoulDielOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_dsf_omp.cpp b/src/USER-OMP/pair_coul_dsf_omp.cpp
index 740e3242ad2bcf3c0db313f3f2989dac2e32867a..217fb844c3f5d6e4466e34d336569bc0417e85a6 100644
--- a/src/USER-OMP/pair_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_coul_dsf_omp.cpp
@@ -46,9 +46,7 @@ PairCoulDSFOMP::PairCoulDSFOMP(LAMMPS *lmp) :
 
 void PairCoulDSFOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_long_omp.cpp b/src/USER-OMP/pair_coul_long_omp.cpp
index eb74bb9615cf2a5ac2f9d1118f3b1fb6a7263d92..1e3170c73ce997f519aa512a68fc017d488aa772 100644
--- a/src/USER-OMP/pair_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_omp.cpp
@@ -45,9 +45,7 @@ PairCoulLongOMP::PairCoulLongOMP(LAMMPS *lmp) :
 
 void PairCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_long_soft_omp.cpp b/src/USER-OMP/pair_coul_long_soft_omp.cpp
index 4e65483a17c7f4a6b7d9759781df748dcdc89561..dd1fc1030df094ae3254cdfa5dfa175e34b84080 100644
--- a/src/USER-OMP/pair_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_soft_omp.cpp
@@ -44,9 +44,7 @@ PairCoulLongSoftOMP::PairCoulLongSoftOMP(LAMMPS *lmp) :
 
 void PairCoulLongSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_msm_omp.cpp b/src/USER-OMP/pair_coul_msm_omp.cpp
index f4bc279532fe96386de8344d0797bd925e6104c9..9b50b869543663c98935f54b4c687e82c1fc876e 100644
--- a/src/USER-OMP/pair_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_coul_msm_omp.cpp
@@ -42,9 +42,7 @@ void PairCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' with "
       "OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_coul_wolf_omp.cpp b/src/USER-OMP/pair_coul_wolf_omp.cpp
index bc86cdbf5dae8e5d3378458ec11df65117c94a20..0913a2b188a8f62fbc2fd8110d563449509b7f38 100644
--- a/src/USER-OMP/pair_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_coul_wolf_omp.cpp
@@ -38,9 +38,7 @@ PairCoulWolfOMP::PairCoulWolfOMP(LAMMPS *lmp) :
 
 void PairCoulWolfOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_dpd_omp.cpp b/src/USER-OMP/pair_dpd_omp.cpp
index 29b5568defa983e9393358331dfb75fffc459b94..77db3d9183b9fd03537d7ad01b71b7e813c84214 100644
--- a/src/USER-OMP/pair_dpd_omp.cpp
+++ b/src/USER-OMP/pair_dpd_omp.cpp
@@ -55,9 +55,7 @@ PairDPDOMP::~PairDPDOMP()
 
 void PairDPDOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int inum = list->inum;
diff --git a/src/USER-OMP/pair_dpd_tstat_omp.cpp b/src/USER-OMP/pair_dpd_tstat_omp.cpp
index 0a9e96fa0cca4478b5364528f3d0a16f1fefecc6..d7233a16c57c90242c35232ee007b53f347f71e8 100644
--- a/src/USER-OMP/pair_dpd_tstat_omp.cpp
+++ b/src/USER-OMP/pair_dpd_tstat_omp.cpp
@@ -55,9 +55,7 @@ PairDPDTstatOMP::~PairDPDTstatOMP()
 
 void PairDPDTstatOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int inum = list->inum;
diff --git a/src/USER-OMP/pair_eam_cd_omp.cpp b/src/USER-OMP/pair_eam_cd_omp.cpp
index 68c01c83d21b48137b2d04c494f46fef4a1c9943..51b83f3bf5e33a868dc5cfe437dc38090ec164c0 100644
--- a/src/USER-OMP/pair_eam_cd_omp.cpp
+++ b/src/USER-OMP/pair_eam_cd_omp.cpp
@@ -55,9 +55,7 @@ PairEAMCDOMP::PairEAMCDOMP(LAMMPS *lmp, int _cdeamVersion) :
 
 void PairEAMCDOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_eam_omp.cpp b/src/USER-OMP/pair_eam_omp.cpp
index 492ff797692d19fba1de48296b98f4450037fc00..99417f27dabf123c6334a4e464fe979d6c4eec73 100644
--- a/src/USER-OMP/pair_eam_omp.cpp
+++ b/src/USER-OMP/pair_eam_omp.cpp
@@ -39,9 +39,7 @@ PairEAMOMP::PairEAMOMP(LAMMPS *lmp) :
 
 void PairEAMOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_edip_omp.cpp b/src/USER-OMP/pair_edip_omp.cpp
index 3392160d925f0e504b8a3fb8450f0202f681dd37..144d893c1c2566c0a6306098fae1c5577aee7eac 100644
--- a/src/USER-OMP/pair_edip_omp.cpp
+++ b/src/USER-OMP/pair_edip_omp.cpp
@@ -43,9 +43,7 @@ PairEDIPOMP::PairEDIPOMP(LAMMPS *lmp) :
 
 void PairEDIPOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_eim_omp.cpp b/src/USER-OMP/pair_eim_omp.cpp
index 6a3e0bc529d99f2201a6d0df25535acddffa08f5..2ecd6f8ec7d17f53bea7031059aa98e69269cbf1 100644
--- a/src/USER-OMP/pair_eim_omp.cpp
+++ b/src/USER-OMP/pair_eim_omp.cpp
@@ -39,9 +39,7 @@ PairEIMOMP::PairEIMOMP(LAMMPS *lmp) :
 
 void PairEIMOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_gauss_cut_omp.cpp b/src/USER-OMP/pair_gauss_cut_omp.cpp
index 9a41dcc87ef3a4024b1a4a1a19f6f87f8a6b41ca..928312240b5225a03ed4489fc1475ff6615aa94b 100644
--- a/src/USER-OMP/pair_gauss_cut_omp.cpp
+++ b/src/USER-OMP/pair_gauss_cut_omp.cpp
@@ -36,9 +36,7 @@ PairGaussCutOMP::PairGaussCutOMP(LAMMPS *lmp) :
 
 void PairGaussCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp
index 059c77c677aded43c3bfe1dcf4ca0cdedd15c851..159f1c3e31135cb9f74e44db9d540d64401c7ffb 100644
--- a/src/USER-OMP/pair_gauss_omp.cpp
+++ b/src/USER-OMP/pair_gauss_omp.cpp
@@ -37,9 +37,7 @@ PairGaussOMP::PairGaussOMP(LAMMPS *lmp) :
 
 void PairGaussOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_gayberne_omp.cpp b/src/USER-OMP/pair_gayberne_omp.cpp
index 5b0ff67afed9a8d5e3dfbb858a68c4f4e08ec477..cfa05745ff30c55c6de203f58bb2badc656bf0ca 100644
--- a/src/USER-OMP/pair_gayberne_omp.cpp
+++ b/src/USER-OMP/pair_gayberne_omp.cpp
@@ -38,9 +38,7 @@ PairGayBerneOMP::PairGayBerneOMP(LAMMPS *lmp) :
 
 void PairGayBerneOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_gran_hertz_history_omp.cpp b/src/USER-OMP/pair_gran_hertz_history_omp.cpp
index 9854b8f9ff5261cc5d2a2609a1e146971298a03d..271c70e9b9f7ef67ac51345fcb6f475d36ece3ba 100644
--- a/src/USER-OMP/pair_gran_hertz_history_omp.cpp
+++ b/src/USER-OMP/pair_gran_hertz_history_omp.cpp
@@ -40,9 +40,7 @@ PairGranHertzHistoryOMP::PairGranHertzHistoryOMP(LAMMPS *lmp) :
 
 void PairGranHertzHistoryOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_gran_hooke_history_omp.cpp b/src/USER-OMP/pair_gran_hooke_history_omp.cpp
index 2327fc815ac218709b28ad358c4d124f4393a3e5..9a0e8aab76894fc942db1b82939f7ea52e39a8ba 100644
--- a/src/USER-OMP/pair_gran_hooke_history_omp.cpp
+++ b/src/USER-OMP/pair_gran_hooke_history_omp.cpp
@@ -41,9 +41,7 @@ PairGranHookeHistoryOMP::PairGranHookeHistoryOMP(LAMMPS *lmp) :
 
 void PairGranHookeHistoryOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int shearupdate = (update->setupflag) ? 0 : 1;
 
diff --git a/src/USER-OMP/pair_gran_hooke_omp.cpp b/src/USER-OMP/pair_gran_hooke_omp.cpp
index 876fe9c4de5eb997a4c58b892a99f16728f87c6b..d226ceaa14b0af8d1e8f805828e97182d72f48c8 100644
--- a/src/USER-OMP/pair_gran_hooke_omp.cpp
+++ b/src/USER-OMP/pair_gran_hooke_omp.cpp
@@ -38,9 +38,7 @@ PairGranHookeOMP::PairGranHookeOMP(LAMMPS *lmp) :
 
 void PairGranHookeOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
index ec9da78b16dc06d14135ade0263f635ecc39f25e..ea56ff51b5fcfbe53a1af185bdee527c1049d353 100644
--- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
@@ -57,9 +57,7 @@ PairHbondDreidingLJOMP::~PairHbondDreidingLJOMP()
 
 void PairHbondDreidingLJOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
index 4965be43b84a6f1dd3809c2cd90a5816adf14124..1cff2de3b21afadd216464d668b13a485fa2d79b 100644
--- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
@@ -57,9 +57,7 @@ PairHbondDreidingMorseOMP::~PairHbondDreidingMorseOMP()
 
 void PairHbondDreidingMorseOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj96_cut_omp.cpp b/src/USER-OMP/pair_lj96_cut_omp.cpp
index 1cca6743690756f4e5f7300f425b4718999356ec..9ba8e09a549fb0232d78527940c71ee62ff97600 100644
--- a/src/USER-OMP/pair_lj96_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj96_cut_omp.cpp
@@ -37,9 +37,7 @@ PairLJ96CutOMP::PairLJ96CutOMP(LAMMPS *lmp) :
 
 void PairLJ96CutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
index 2f72f3851e244552b8b465ef05e7aca23a731872..3dc9b77c0f10bc6a1040149c245d9e94110843fa 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
@@ -36,9 +36,7 @@ PairLJCharmmCoulCharmmImplicitOMP::PairLJCharmmCoulCharmmImplicitOMP(LAMMPS *lmp
 
 void PairLJCharmmCoulCharmmImplicitOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
index b61a80a178b77c0b56ee696b30141b45f5b3e6eb..f9230996f05fb343e304dbfd3b5eb4ab8d437ea9 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
@@ -36,9 +36,7 @@ PairLJCharmmCoulCharmmOMP::PairLJCharmmCoulCharmmOMP(LAMMPS *lmp) :
 
 void PairLJCharmmCoulCharmmOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
index 5351ab9aeaa95571a0fbb59f057c7b5d27ad6a06..4bdaa3519ff10c135e171eee9c7de26da9f8042f 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
@@ -37,9 +37,7 @@ PairLJCharmmCoulLongOMP::PairLJCharmmCoulLongOMP(LAMMPS *lmp) :
 
 void PairLJCharmmCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
index ea5d739e49d2614f003571bc6128bca2c75d785c..1f6daf052c4b494c961ba2eaf84f7e2dc368363f 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
@@ -37,9 +37,7 @@ PairLJCharmmCoulLongSoftOMP::PairLJCharmmCoulLongSoftOMP(LAMMPS *lmp) :
 
 void PairLJCharmmCoulLongSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
index 3baa9597a8e28c3619fe1184c6fe937f0fd2012a..eab62d919e50d836b0ae3a260122c2aa69eb48ee 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
@@ -42,9 +42,7 @@ void PairLJCharmmCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
       "with OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
index 38390918c7da9644f10193d362300d7c34324a54..b9ffad134b5bf23b24914232d0932f25f8d11bac 100644
--- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
@@ -36,9 +36,7 @@ PairLJClass2CoulCutOMP::PairLJClass2CoulCutOMP(LAMMPS *lmp) :
 
 void PairLJClass2CoulCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
index f47672c9bc39d3f01f8af5733f923d38578359f4..e5995363adbe82a0982b09e47b569d4960c8ebc9 100644
--- a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
@@ -44,9 +44,7 @@ PairLJClass2CoulLongOMP::PairLJClass2CoulLongOMP(LAMMPS *lmp) :
 
 void PairLJClass2CoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_class2_omp.cpp b/src/USER-OMP/pair_lj_class2_omp.cpp
index 7ab4626c3e420ddf0e6dd633b8b8ca704568ae0e..67715572ae4f2eecb40b4abf1079457a07eb6167 100644
--- a/src/USER-OMP/pair_lj_class2_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_omp.cpp
@@ -36,9 +36,7 @@ PairLJClass2OMP::PairLJClass2OMP(LAMMPS *lmp) :
 
 void PairLJClass2OMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cubic_omp.cpp b/src/USER-OMP/pair_lj_cubic_omp.cpp
index 3e8adb33b85df9fda3fcee37f875971713166661..5fa4f92f45b6d4e4d7fec9ef628fcbd7e9ed87d0 100644
--- a/src/USER-OMP/pair_lj_cubic_omp.cpp
+++ b/src/USER-OMP/pair_lj_cubic_omp.cpp
@@ -37,9 +37,7 @@ PairLJCubicOMP::PairLJCubicOMP(LAMMPS *lmp) :
 
 void PairLJCubicOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
index ea560a09bf30382158a22fa5fadb575677ceb407..69cc2d304200d6192e91112c09332e6c659b87a4 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
@@ -36,9 +36,7 @@ PairLJCutCoulCutOMP::PairLJCutCoulCutOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
index 4ef12bb1bbe198439a2033ff8c5b9b5fdbcd8300..5dfa414bd43d1096a1caaa1ae6c42fc1c7d31a4b 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
@@ -36,9 +36,7 @@ PairLJCutCoulCutSoftOMP::PairLJCutCoulCutSoftOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulCutSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
index 9163e98eddeae433ca7d360518d4197d51cf5c80..4644e565a75e11acd4d48e09a207348bd335210d 100644
--- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
@@ -36,9 +36,7 @@ PairLJCutCoulDebyeOMP::PairLJCutCoulDebyeOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulDebyeOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
index 9d9c098f8744afa5817f91b2fce97aed0fb213f3..13d877ec07823b60ba260591c0ecbdab14c7eeb0 100644
--- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
@@ -46,9 +46,7 @@ PairLJCutCoulDSFOMP::PairLJCutCoulDSFOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulDSFOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
index d2eaae4ca4f640282ad2c6d6ef885db228fdf1f5..d4fe5fd2a7e24e6e57d5ccf0a7f0600304441476 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
@@ -45,9 +45,7 @@ PairLJCutCoulLongOMP::PairLJCutCoulLongOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
index 725bfe4724020e70298a9d7fe955f04ae624cd71..4a0ef73f60cfd162708b82c0b1ed72e150b3facc 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
@@ -45,9 +45,7 @@ PairLJCutCoulLongSoftOMP::PairLJCutCoulLongSoftOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulLongSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
index 234204af93f362a5d81ecbf888b9cffa587d0aab..4c34b73622eed6b9ad6f9042f4b86da4ca251d89 100644
--- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
@@ -42,9 +42,7 @@ void PairLJCutCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
       "with OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
index 36ef9d54f970741f0ab6638ca6d5d57c5b19528f..052be0a2fa44a4fb4051003885aa0632eea52ffd 100644
--- a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
@@ -38,9 +38,7 @@ PairLJCutCoulWolfOMP::PairLJCutCoulWolfOMP(LAMMPS *lmp) :
 
 void PairLJCutCoulWolfOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
index d4145d98350c1890ca15ff869a880062471eb3ca..55359db3bea3b4a75b8b82d16d1be584eb673fe8 100644
--- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
@@ -36,9 +36,7 @@ PairLJCutDipoleCutOMP::PairLJCutDipoleCutOMP(LAMMPS *lmp) :
 
 void PairLJCutDipoleCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_omp.cpp
index 319257b56b7f1800fd32c3624468b8cbaa08cb45..34068185d26c23ea6fcac2c818981c9c3335dc14 100644
--- a/src/USER-OMP/pair_lj_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_omp.cpp
@@ -37,9 +37,7 @@ PairLJCutOMP::PairLJCutOMP(LAMMPS *lmp) :
 
 void PairLJCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
index 7698f19b9512400e06c726be454c62c7df58805f..9bbe58146c13a8daac0b6c7a6cc7f30fadbf459c 100644
--- a/src/USER-OMP/pair_lj_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
@@ -37,9 +37,7 @@ PairLJCutSoftOMP::PairLJCutSoftOMP(LAMMPS *lmp) :
 
 void PairLJCutSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
index 536d5bcb863d7a0bfe2413caa750c59b9f7129fd..85cab4fe7b2ad4dd029b014f19e6d73ed4d9eb0e 100644
--- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
@@ -57,9 +57,7 @@ PairLJCutTholeLongOMP::PairLJCutTholeLongOMP(LAMMPS *lmp) :
 
 void PairLJCutTholeLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
index 619e970bb0035231a8e7a02dab09dd74ad22d09d..288724cd77814fd0d6db821a0cff38ac44ce5459 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
@@ -62,8 +62,7 @@ PairLJCutTIP4PCutOMP::~PairLJCutTIP4PCutOMP()
 
 void PairLJCutTIP4PCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
index ca8f450dc6b4f8371ad6e24bf0504890869ae6bf..e2c1da1a89f249a8b99d0d8f62312cacf87e8101 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
@@ -62,8 +62,7 @@ PairLJCutTIP4PLongOMP::~PairLJCutTIP4PLongOMP()
 
 void PairLJCutTIP4PLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
index 80b17fba96e6e81e0ba9ba34cb1450c37b478efc..6baba8aec4567c5f08b8ccc2d2639b8b93d15e2f 100644
--- a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
@@ -62,8 +62,7 @@ PairLJCutTIP4PLongSoftOMP::~PairLJCutTIP4PLongSoftOMP()
 
 void PairLJCutTIP4PLongSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_lj_expand_omp.cpp b/src/USER-OMP/pair_lj_expand_omp.cpp
index 064ea97809a791ccf77089ee9dba75b63c18d226..6c6ddb045e9ef3d49c6d0b28f0150f60b416180e 100644
--- a/src/USER-OMP/pair_lj_expand_omp.cpp
+++ b/src/USER-OMP/pair_lj_expand_omp.cpp
@@ -36,9 +36,7 @@ PairLJExpandOMP::PairLJExpandOMP(LAMMPS *lmp) :
 
 void PairLJExpandOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
index c87f369d115b499565ba3efd32f05a79627510a9..77c5bc0da007fa0b41f74f318da2f53349523cf2 100644
--- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
@@ -36,9 +36,7 @@ PairLJGromacsCoulGromacsOMP::PairLJGromacsCoulGromacsOMP(LAMMPS *lmp) :
 
 void PairLJGromacsCoulGromacsOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_omp.cpp
index 1d7cec5eef768425ed4d44ffb8d45d4e52b84af6..15bcb08eed8edd15e65e7e923d518eaf87ad46a5 100644
--- a/src/USER-OMP/pair_lj_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_omp.cpp
@@ -36,9 +36,7 @@ PairLJGromacsOMP::PairLJGromacsOMP(LAMMPS *lmp) :
 
 void PairLJGromacsOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
index 391840285b94e1d54d1d7ab5c98cb16285302954..c9edc087b663f94be1bb2b819730e2481a9501d5 100644
--- a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
@@ -46,9 +46,8 @@ PairLJLongCoulLongOMP::PairLJLongCoulLongOMP(LAMMPS *lmp) :
 
 void PairLJLongCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
+
   const int order1 = ewald_order&(1<<1);
   const int order6 = ewald_order&(1<<6);
 
diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
index 19278d19bb6fbbe7c6fd70da5d94f49d4bffac14..6d7c5b5638c4b4e1ef5f9df1bf19cb0bbccc140d 100644
--- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
@@ -63,9 +63,7 @@ PairLJLongTIP4PLongOMP::~PairLJLongTIP4PLongOMP()
 
 void PairLJLongTIP4PLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // reallocate hneigh_thr & newsite_thr if necessary
   // initialize hneigh_thr[0] to -1 on steps when reneighboring occured
diff --git a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
index c87f26204e8610114d5c6221278ec437b0ced1cd..16c87d5ed4d51ac680d436224e3f79fcbdffc688 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
@@ -38,9 +38,7 @@ PairLJSDKCoulLongOMP::PairLJSDKCoulLongOMP(LAMMPS *lmp) :
 
 void PairLJSDKCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
index 8ff0cfe9211f0221c106715ed4d6e264b64c7f50..1002cc193e102d934c6d996a067a9e24ae34414d 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
@@ -44,9 +44,7 @@ void PairLJSDKCoulMSMOMP::compute(int eflag, int vflag)
     error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
       "with OMP MSM Pair styles");
 
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_sdk_omp.cpp b/src/USER-OMP/pair_lj_sdk_omp.cpp
index e107399316bdc80b0288f96cdcc943c41f00395e..1e64973cbb87769c89c81c546bd133df63821eea 100644
--- a/src/USER-OMP/pair_lj_sdk_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_omp.cpp
@@ -40,9 +40,7 @@ PairLJSDKOMP::PairLJSDKOMP(LAMMPS *lmp) :
 
 void PairLJSDKOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
index 250f6ff27214b4412935af0579c532165a504484..aea22fc4df52c145d592ae132668da27d13b99c0 100644
--- a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
+++ b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
@@ -36,9 +36,7 @@ PairLJSFDipoleSFOMP::PairLJSFDipoleSFOMP(LAMMPS *lmp) :
 
 void PairLJSFDipoleSFOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
index b06de641f5b58337ec5d3e41f05ff4d61cd241e4..420c55b0edc69b5ef498eacf0a06a68b0f105466 100644
--- a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
@@ -36,9 +36,7 @@ PairLJSmoothLinearOMP::PairLJSmoothLinearOMP(LAMMPS *lmp) :
 
 void PairLJSmoothLinearOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lj_smooth_omp.cpp b/src/USER-OMP/pair_lj_smooth_omp.cpp
index 36935616bfdc5952cc77ef36fbc0958d80705f82..d61dc19ff1cce8123c4714e9d2e61a01a9c3a497 100644
--- a/src/USER-OMP/pair_lj_smooth_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_omp.cpp
@@ -36,9 +36,7 @@ PairLJSmoothOMP::PairLJSmoothOMP(LAMMPS *lmp) :
 
 void PairLJSmoothOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lubricate_omp.cpp b/src/USER-OMP/pair_lubricate_omp.cpp
index a7f9fc65b59589dfad8df2362184b31727b70f3a..132dbc575e548daed832119cf8f1d032a2a06598 100644
--- a/src/USER-OMP/pair_lubricate_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_omp.cpp
@@ -54,9 +54,7 @@ PairLubricateOMP::~PairLubricateOMP()
 
 void PairLubricateOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_lubricate_poly_omp.cpp b/src/USER-OMP/pair_lubricate_poly_omp.cpp
index 3f0ef1dba6ca6b51d651691031a5a4137577ebf7..3a5f03364de4f61ce807459bc8078e85e61e2c18 100644
--- a/src/USER-OMP/pair_lubricate_poly_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_poly_omp.cpp
@@ -54,9 +54,7 @@ PairLubricatePolyOMP::~PairLubricatePolyOMP()
 
 void PairLubricatePolyOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_meam_spline_omp.cpp b/src/USER-OMP/pair_meam_spline_omp.cpp
index dfc3b978a29f0a06665cfe4bbbbd35ef64dc03be..e9307c8666155e96b32bd86784cf6518570ba75e 100644
--- a/src/USER-OMP/pair_meam_spline_omp.cpp
+++ b/src/USER-OMP/pair_meam_spline_omp.cpp
@@ -39,9 +39,7 @@ PairMEAMSplineOMP::PairMEAMSplineOMP(LAMMPS *lmp) :
 
 void PairMEAMSplineOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_morse_omp.cpp b/src/USER-OMP/pair_morse_omp.cpp
index 922b67b46344335df4daad06d332ab973da72fb2..bf57019f11c4c21784c2cea2ee5bc8e3b4b73c62 100644
--- a/src/USER-OMP/pair_morse_omp.cpp
+++ b/src/USER-OMP/pair_morse_omp.cpp
@@ -36,9 +36,7 @@ PairMorseOMP::PairMorseOMP(LAMMPS *lmp) :
 
 void PairMorseOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
index 61cef69c377f3b706d59537c61d123a2640a2c43..5ba6acb439abb610f1189f8a8ae2135865806188 100644
--- a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
@@ -40,9 +40,7 @@ PairMorseSmoothLinearOMP::PairMorseSmoothLinearOMP(LAMMPS *lmp) :
 
 void PairMorseSmoothLinearOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
index fcbf5dbabbab67f3a8c8117f31e36928d9c911ca..d62b4e5c6231ad703981364af73ce910577186d6 100644
--- a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
@@ -36,9 +36,7 @@ PairNMCutCoulCutOMP::PairNMCutCoulCutOMP(LAMMPS *lmp) :
 
 void PairNMCutCoulCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
index b31387dbfe0104fca9e582c6f169be4dab3c0b71..a8696c74a1255c8050395249330a116ac7355599 100644
--- a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
@@ -44,9 +44,7 @@ PairNMCutCoulLongOMP::PairNMCutCoulLongOMP(LAMMPS *lmp) :
 
 void PairNMCutCoulLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_nm_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_omp.cpp
index 79cd0463114d5291bdcaa4c961f704c7ffe24428..9304b10ef0f851dee7dcabfeb604509063a31370 100644
--- a/src/USER-OMP/pair_nm_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_omp.cpp
@@ -36,9 +36,7 @@ PairNMCutOMP::PairNMCutOMP(LAMMPS *lmp) :
 
 void PairNMCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_peri_lps_omp.cpp b/src/USER-OMP/pair_peri_lps_omp.cpp
index 7b174face743fedae1e6e6ef0949e39e4d1d60ee..61db45363e3a3e71dbf22f58dd7f0c7bba03fbcc 100644
--- a/src/USER-OMP/pair_peri_lps_omp.cpp
+++ b/src/USER-OMP/pair_peri_lps_omp.cpp
@@ -45,9 +45,7 @@ PairPeriLPSOMP::PairPeriLPSOMP(LAMMPS *lmp) :
 
 void PairPeriLPSOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_peri_pmb_omp.cpp b/src/USER-OMP/pair_peri_pmb_omp.cpp
index 8199d8aa47a0d474aa558402b7e462f3c994ec9a..b1816e40522c91e2c23c2a3e76ffa54513d98c8b 100644
--- a/src/USER-OMP/pair_peri_pmb_omp.cpp
+++ b/src/USER-OMP/pair_peri_pmb_omp.cpp
@@ -43,9 +43,7 @@ PairPeriPMBOMP::PairPeriPMBOMP(LAMMPS *lmp) :
 
 void PairPeriPMBOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp
index 63beb61be644cc32e0488d9b5b9a67659db82a57..2f175151307fc6197a0e853aa70b1c16a806fd13 100644
--- a/src/USER-OMP/pair_reaxc_omp.cpp
+++ b/src/USER-OMP/pair_reaxc_omp.cpp
@@ -113,7 +113,7 @@ PairReaxCOMP::~PairReaxCOMP()
   if (setup_flag) {
     reax_list * bonds = lists+BONDS;
     for (int i=0; i<bonds->num_intrs; ++i)
-      sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
+      sfree(error, bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
   }
   memory->destroy(num_nbrs_offset);
 
@@ -191,12 +191,15 @@ void PairReaxCOMP::compute(int eflag, int vflag)
   int *num_hbonds = fix_reax->num_hbonds;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else ev_unset();
+  ev_init(eflag,vflag);
 
   if (vflag_global) control->virial = 1;
   else control->virial = 0;
 
+  if (vflag_atom)
+     error->all(FLERR,"Pair style reax/c/omp does not support "
+                "computing per-atom stress");
+
   system->n = atom->nlocal; // my atoms
   system->N = atom->nlocal + atom->nghost; // mine + ghosts
   system->bigN = static_cast<int> (atom->natoms);  // all atoms in the system
@@ -210,7 +213,7 @@ void PairReaxCOMP::compute(int eflag, int vflag)
 
   setup();
 
-  Reset( system, control, data, workspace, &lists, world );
+  Reset( system, control, data, workspace, &lists );
 
   // Why not update workspace like in MPI-only code?
   // Using the MPI-only way messes up the hb energy
@@ -344,6 +347,15 @@ void PairReaxCOMP::init_style( )
   if (force->newton_pair == 0)
     error->all(FLERR,"Pair style reax/c/omp requires newton pair on");
 
+ if ((atom->map_tag_max > 99999999) && (comm->me == 0))
+    error->warning(FLERR,"Some Atom-IDs are too large. Pair style reax/c/omp "
+                   "native output files may get misformatted or corrupted");
+
+  // because system->bigN is an int, we cannot have more atoms than MAXSMALLINT
+
+  if (atom->natoms > MAXSMALLINT)
+    error->all(FLERR,"Too many atoms for pair style reax/c/omp");
+
   // need a half neighbor list w/ Newton off and ghost neighbors
   // built whenever re-neighboring occurs
 
@@ -361,7 +373,7 @@ void PairReaxCOMP::init_style( )
 
   if (fix_reax == NULL) {
     char **fixarg = new char*[3];
-    fixarg[0] = (char *) "REAXC";
+    fixarg[0] = (char *) fix_id;
     fixarg[1] = (char *) "all";
     fixarg[2] = (char *) "REAXC";
     modify->add_fix(3,fixarg);
@@ -411,12 +423,12 @@ void PairReaxCOMP::setup( )
 
     // initialize my data structures
 
-    PreAllocate_Space( system, control, workspace, world );
+    PreAllocate_Space( system, control, workspace );
     write_reax_atoms();
 
     int num_nbrs = estimate_reax_lists();
     if(!Make_List(system->total_cap, num_nbrs, TYP_FAR_NEIGHBOR,
-                  lists+FAR_NBRS, world))
+                  lists+FAR_NBRS))
       error->all(FLERR,"Pair reax/c problem in far neighbor list");
 
     write_reax_lists();
@@ -446,7 +458,7 @@ void PairReaxCOMP::setup( )
 
     // check if I need to shrink/extend my data-structs
 
-    ReAllocate( system, control, data, workspace, &lists, mpi_data );
+    ReAllocate( system, control, data, workspace, &lists );
   }
 }
 
@@ -631,4 +643,3 @@ void PairReaxCOMP::FindBond()
     }
   }
 }
-
diff --git a/src/USER-OMP/pair_rebo_omp.cpp b/src/USER-OMP/pair_rebo_omp.cpp
index 2b58b45b53c49213a4c3f90d3dae519ccaf82393..621de04ebb4e5ccc30be8c209abd6da733782461 100644
--- a/src/USER-OMP/pair_rebo_omp.cpp
+++ b/src/USER-OMP/pair_rebo_omp.cpp
@@ -18,7 +18,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairREBOOMP::PairREBOOMP(LAMMPS *lmp) : PairAIREBOOMP(lmp) {}
+PairREBOOMP::PairREBOOMP(LAMMPS *lmp) : PairAIREBOOMP(lmp) {
+  variant = REBO_2;
+}
 
 /* ----------------------------------------------------------------------
    global settings
@@ -31,3 +33,34 @@ void PairREBOOMP::settings(int narg, char ** /* arg */)
   cutlj = 0.0;
   ljflag = torflag = 0;
 }
+
+/* ----------------------------------------------------------------------
+   initialize spline knot values
+------------------------------------------------------------------------- */
+
+void PairREBOOMP::spline_init() {
+  PairAIREBO::spline_init();
+
+  PCCf[0][2] = 0.007860700254745;
+  PCCf[0][3] = 0.016125364564267;
+  PCCf[1][1] = 0.003026697473481;
+  PCCf[1][2] = 0.006326248241119;
+  PCCf[2][0] = 0.;
+  PCCf[2][1] = 0.003179530830731;
+
+  for (int nH = 0; nH < 4; nH++) {
+    for (int nC = 0; nC < 4; nC++) {
+      double y[4] = {0}, y1[4] = {0}, y2[4] = {0};
+      y[0] = PCCf[nC][nH];
+      y[1] = PCCf[nC][nH+1];
+      y[2] = PCCf[nC+1][nH];
+      y[3] = PCCf[nC+1][nH+1];
+      Spbicubic_patch_coeffs(nC, nC+1, nH, nH+1, y, y1, y2, &pCC[nC][nH][0]);
+      y[0] = PCHf[nC][nH];
+      y[1] = PCHf[nC][nH+1];
+      y[2] = PCHf[nC+1][nH];
+      y[3] = PCHf[nC+1][nH+1];
+      Spbicubic_patch_coeffs(nC, nC+1, nH, nH+1, y, y1, y2, &pCH[nC][nH][0]);
+    }
+  }
+}
diff --git a/src/USER-OMP/pair_rebo_omp.h b/src/USER-OMP/pair_rebo_omp.h
index 9ff28a260b06499144723695eedf1ad982eac897..ef837f33df37f2005dadaa4eb9809549d5fcce98 100644
--- a/src/USER-OMP/pair_rebo_omp.h
+++ b/src/USER-OMP/pair_rebo_omp.h
@@ -28,6 +28,8 @@ class PairREBOOMP : public PairAIREBOOMP {
  public:
   PairREBOOMP(class LAMMPS *);
   virtual void settings(int, char **);
+ protected:
+  void spline_init();
 };
 
 }
diff --git a/src/USER-OMP/pair_resquared_omp.cpp b/src/USER-OMP/pair_resquared_omp.cpp
index 1736e794f55b7621f29d852e867307581238a38b..d9e0059a9fc1acc556327efecf2d3cc8c7cf5376 100644
--- a/src/USER-OMP/pair_resquared_omp.cpp
+++ b/src/USER-OMP/pair_resquared_omp.cpp
@@ -38,9 +38,7 @@ PairRESquaredOMP::PairRESquaredOMP(LAMMPS *lmp) :
 
 void PairRESquaredOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_soft_omp.cpp b/src/USER-OMP/pair_soft_omp.cpp
index a860ad97d96af326aa602bf8dd7c06ee4eea9132..eb151bc0df26d38fd4622d2e7b9ccdb5ba7eb733 100644
--- a/src/USER-OMP/pair_soft_omp.cpp
+++ b/src/USER-OMP/pair_soft_omp.cpp
@@ -40,9 +40,7 @@ PairSoftOMP::PairSoftOMP(LAMMPS *lmp) :
 
 void PairSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_sw_omp.cpp b/src/USER-OMP/pair_sw_omp.cpp
index e323fc4c373a4882f586297d19b56b9e92e63f11..745b3a1f0422dfdf7dadd7588f042b484d53e545 100644
--- a/src/USER-OMP/pair_sw_omp.cpp
+++ b/src/USER-OMP/pair_sw_omp.cpp
@@ -37,9 +37,7 @@ PairSWOMP::PairSWOMP(LAMMPS *lmp) :
 
 void PairSWOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_table_omp.cpp b/src/USER-OMP/pair_table_omp.cpp
index d27456e1b58f834193924cb70adb64dc5db66d4d..b55817e75c33fb7a54418c7f1fddf6ce67760e31 100644
--- a/src/USER-OMP/pair_table_omp.cpp
+++ b/src/USER-OMP/pair_table_omp.cpp
@@ -37,9 +37,7 @@ PairTableOMP::PairTableOMP(LAMMPS *lmp) :
 
 void PairTableOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
index fad077ca125a69617372f1b53eac0e2c013adf7e..a11bd87640f69c57873b59786f7fb46e41c4709b 100644
--- a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
@@ -36,9 +36,7 @@ PairTersoffMODCOMP::PairTersoffMODCOMP(LAMMPS *lmp) :
 
 void PairTersoffMODCOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp
index 04e54c6e698707431c1ed80ae4d8d795a0158fd2..da22110c1cb3b4ac975d9189ec40385aeaf4b290 100644
--- a/src/USER-OMP/pair_tersoff_mod_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp
@@ -36,9 +36,7 @@ PairTersoffMODOMP::PairTersoffMODOMP(LAMMPS *lmp) :
 
 void PairTersoffMODOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp
index a5afdc7509ab4944ad4b3a7e7a46ef70716f2cc0..661f15d64d88956301b33af214ed06725f3ed999 100644
--- a/src/USER-OMP/pair_tersoff_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_omp.cpp
@@ -37,9 +37,7 @@ PairTersoffOMP::PairTersoffOMP(LAMMPS *lmp) :
 
 void PairTersoffOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_tersoff_table_omp.cpp b/src/USER-OMP/pair_tersoff_table_omp.cpp
index de045f9c622c63de9db428170a476f6543816529..7e83814f95d72c4c93077d6fcfb8b410d1b0cb8a 100644
--- a/src/USER-OMP/pair_tersoff_table_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_table_omp.cpp
@@ -61,9 +61,7 @@ PairTersoffTableOMP::~PairTersoffTableOMP()
 
 void PairTersoffTableOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_tip4p_cut_omp.cpp b/src/USER-OMP/pair_tip4p_cut_omp.cpp
index 85589cf043c231c24f0b4a69092f69d994fc8128..1900ed43940dc75721d56ee36720e584a3326599 100644
--- a/src/USER-OMP/pair_tip4p_cut_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_cut_omp.cpp
@@ -62,8 +62,7 @@ PairTIP4PCutOMP::~PairTIP4PCutOMP()
 
 void PairTIP4PCutOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
 
diff --git a/src/USER-OMP/pair_tip4p_long_omp.cpp b/src/USER-OMP/pair_tip4p_long_omp.cpp
index c6c4bfe5fc953294db71ed8ea5d476e1d3855e0a..ee65937c46b6c7c4d390ac63c8c3c5dd278b3835 100644
--- a/src/USER-OMP/pair_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_long_omp.cpp
@@ -62,8 +62,7 @@ PairTIP4PLongOMP::~PairTIP4PLongOMP()
 
 void PairTIP4PLongOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
index 7e9d3b6dff84c37f556f4ee6980a009bc6f3dc1b..adb984a2cd4582c3b9c3af991ccddaccb1a8dcd3 100644
--- a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp
@@ -62,8 +62,7 @@ PairTIP4PLongSoftOMP::~PairTIP4PLongSoftOMP()
 
 void PairTIP4PLongSoftOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nlocal = atom->nlocal;
   const int nall = nlocal + atom->nghost;
diff --git a/src/USER-OMP/pair_ufm_omp.cpp b/src/USER-OMP/pair_ufm_omp.cpp
index ff258b5b3b8af8404f693c02ce452e2d5917d653..08d8cc15f9e3f6006ddaecb17690c18db8b5da7b 100644
--- a/src/USER-OMP/pair_ufm_omp.cpp
+++ b/src/USER-OMP/pair_ufm_omp.cpp
@@ -38,9 +38,7 @@ PairUFMOMP::PairUFMOMP(LAMMPS *lmp) :
 
 void PairUFMOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_vashishta_omp.cpp b/src/USER-OMP/pair_vashishta_omp.cpp
index 194a3e2d86acb67b99ed0cdab2e644d3b936637b..28104013f0a62f532c7a815bf31e891a5c965511 100644
--- a/src/USER-OMP/pair_vashishta_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_omp.cpp
@@ -37,9 +37,7 @@ PairVashishtaOMP::PairVashishtaOMP(LAMMPS *lmp) :
 
 void PairVashishtaOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_vashishta_table_omp.cpp b/src/USER-OMP/pair_vashishta_table_omp.cpp
index e0d96d8bb6573a1bf00652996ed62e8fd07c0d3b..b044902ebee0e4bfd44dccc6cd76580c009601df 100644
--- a/src/USER-OMP/pair_vashishta_table_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_table_omp.cpp
@@ -37,9 +37,7 @@ PairVashishtaTableOMP::PairVashishtaTableOMP(LAMMPS *lmp) :
 
 void PairVashishtaTableOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.cpp b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
index c1d2133a1ca585fc42650f17ae1005ec8a47570b..86314ce7b848c71bc04cb71ba865a436d873d63d 100644
--- a/src/USER-OMP/pair_yukawa_colloid_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
@@ -36,9 +36,7 @@ PairYukawaColloidOMP::PairYukawaColloidOMP(LAMMPS *lmp) :
 
 void PairYukawaColloidOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_yukawa_omp.cpp b/src/USER-OMP/pair_yukawa_omp.cpp
index cbfd627f9789bdbfaba49b7c2226ec189b292735..add81e9b04ae8d26de4dea07805baac5a41cc82d 100644
--- a/src/USER-OMP/pair_yukawa_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_omp.cpp
@@ -36,9 +36,7 @@ PairYukawaOMP::PairYukawaOMP(LAMMPS *lmp) :
 
 void PairYukawaOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/pair_zbl_omp.cpp b/src/USER-OMP/pair_zbl_omp.cpp
index 788679434bd60b28e0dea8e1f5368e2b1936e31d..f6856c4fa06bf12bcea1ba639a58859724b76599 100644
--- a/src/USER-OMP/pair_zbl_omp.cpp
+++ b/src/USER-OMP/pair_zbl_omp.cpp
@@ -37,9 +37,7 @@ PairZBLOMP::PairZBLOMP(LAMMPS *lmp) :
 
 void PairZBLOMP::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) {
-    ev_setup(eflag,vflag);
-  } else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   const int nall = atom->nlocal + atom->nghost;
   const int nthreads = comm->nthreads;
diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp
index 80741a46a8427082b0c1f0a8443b7a4fb3ce3cec..0a08bd6a465c682621e3a2d9a80f4882ad01b6c3 100644
--- a/src/USER-OMP/reaxc_forces_omp.cpp
+++ b/src/USER-OMP/reaxc_forces_omp.cpp
@@ -262,8 +262,8 @@ void Compute_Total_ForceOMP( reax_system *system, control_params *control,
 
 /* ---------------------------------------------------------------------- */
 
-void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list **lists,
-                     int step, int n, int N, int numH, MPI_Comm comm )
+void Validate_ListsOMP(reax_system *system, storage * /*workspace*/, reax_list **lists,
+                       int step, int n, int N, int numH, MPI_Comm /*comm*/)
 {
   int i, comp, Hindex;
   reax_list *bonds, *hbonds;
@@ -289,9 +289,10 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list
       else comp = bonds->num_intrs;
 
       if (End_Index(i, bonds) > comp) {
-        fprintf( stderr, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
-                 step, i, End_Index(i,bonds), comp );
-        MPI_Abort( comm, INSUFFICIENT_MEMORY );
+        char errmsg[256];
+        snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
+                  step, i, End_Index(i,bonds), comp );
+        system->error_ptr->one(FLERR,errmsg);
       }
     }
   }
@@ -315,9 +316,10 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list
         else comp = hbonds->num_intrs;
 
         if (End_Index(Hindex, hbonds) > comp) {
-          fprintf(stderr,"step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",
+          char errmsg[256];
+          snprintf(errmsg, 256, "step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",
                   step, Hindex, End_Index(Hindex,hbonds), comp );
-          MPI_Abort( comm, INSUFFICIENT_MEMORY );
+          system->error_ptr->one(FLERR, errmsg);
         }
       }
     }
diff --git a/src/USER-OMP/reaxc_init_md_omp.cpp b/src/USER-OMP/reaxc_init_md_omp.cpp
index bd15b3b9df43f7e201e35befb92dd1f0b558406e..fe7682d0358ace6e0a57c1af091b0e955f53788f 100644
--- a/src/USER-OMP/reaxc_init_md_omp.cpp
+++ b/src/USER-OMP/reaxc_init_md_omp.cpp
@@ -43,7 +43,7 @@
 extern int Init_MPI_Datatypes(reax_system*, storage*, mpi_datatypes*, MPI_Comm, char*);
 extern int Init_System(reax_system*, control_params*, char*);
 extern int Init_Simulation_Data(reax_system*, control_params*, simulation_data*, char*);
-extern int Init_Workspace(reax_system*, control_params*, storage*, MPI_Comm, char*);
+extern int Init_Workspace(reax_system*, control_params*, storage*, char*);
 
 /* ---------------------------------------------------------------------- */
 
@@ -63,7 +63,7 @@ int Init_ListsOMP( reax_system *system, control_params *control,
   bond_top = (int*) calloc( system->total_cap, sizeof(int) );
   hb_top = (int*) calloc( system->local_cap, sizeof(int) );
   Estimate_Storages( system, control, lists,
-                     &Htop, hb_top, bond_top, &num_3body, comm );
+                     &Htop, hb_top, bond_top, &num_3body );
 
   if (control->hbond_cut > 0) {
     /* init H indexes */
@@ -75,9 +75,8 @@ int Init_ListsOMP( reax_system *system, control_params *control,
     total_hbonds = (int)(MAX( total_hbonds*saferzone, mincap*MIN_HBONDS ));
 
     if( !Make_List( system->Hcap, total_hbonds, TYP_HBOND,
-                    *lists+HBONDS, comm ) ) {
-      fprintf( stderr, "not enough space for hbonds list. terminating!\n" );
-      MPI_Abort( comm, INSUFFICIENT_MEMORY );
+                    *lists+HBONDS ) ) {
+      system->error_ptr->one( FLERR, "Not enough space for hbonds list. Terminating!" );
     }
   }
 
@@ -89,9 +88,8 @@ int Init_ListsOMP( reax_system *system, control_params *control,
   bond_cap = (int)(MAX( total_bonds*safezone, mincap*MIN_BONDS ));
 
   if( !Make_List( system->total_cap, bond_cap, TYP_BOND,
-                  *lists+BONDS, comm ) ) {
-    fprintf( stderr, "not enough space for bonds list. terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+                  *lists+BONDS ) ) {
+    system->error_ptr->one( FLERR, "Not enough space for bonds list. Terminating!\n" );
   }
 
   int nthreads = control->nthreads;
@@ -99,15 +97,14 @@ int Init_ListsOMP( reax_system *system, control_params *control,
 
   for (i = 0; i < bonds->num_intrs; ++i)
     bonds->select.bond_list[i].bo_data.CdboReduction =
-      (double*) smalloc(sizeof(double)*nthreads, "CdboReduction", comm);
+      (double*) smalloc(system->error_ptr, sizeof(double)*nthreads, "CdboReduction");
 
   /* 3bodies list */
   cap_3body = (int)(MAX( num_3body*safezone, MIN_3BODIES ));
   if( !Make_List( bond_cap, cap_3body, TYP_THREE_BODY,
-                  *lists+THREE_BODIES, comm ) ){
+                  *lists+THREE_BODIES ) ){
 
-    fprintf( stderr, "Problem in initializing angles list. Terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+    system->error_ptr->one( FLERR, "Problem in initializing angles list. Terminating!" );
   }
 
   free( hb_top );
@@ -125,60 +122,50 @@ void InitializeOMP( reax_system *system, control_params *control,
                  mpi_datatypes *mpi_data, MPI_Comm comm )
 {
   char msg[MAX_STR];
+  char errmsg[512];
 
 
   if (Init_MPI_Datatypes(system, workspace, mpi_data, comm, msg) == FAILURE) {
-    fprintf( stderr, "p%d: init_mpi_datatypes: could not create datatypes\n",
-             system->my_rank );
-    fprintf( stderr, "p%d: mpi_data couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    system->error_ptr->one( FLERR, "init_mpi_datatypes: could not create datatypes. "
+    "Mpi_data couldn't be initialized! Terminating.");
   }
 
   if (Init_System(system, control, msg) == FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: system could not be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    snprintf( errmsg, 512, "Error on: %s. "
+    "System could not be initialized! Terminating.", msg );
+    system->error_ptr->one(FLERR, errmsg);
   }
 
   if (Init_Simulation_Data( system, control, data, msg ) == FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: sim_data couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    snprintf( errmsg, 512, "Error on: %s. "
+    "Sim_data couldn't be initialized! Terminating.", msg );
+    system->error_ptr->one(FLERR, errmsg);
   }
 
-  if (Init_Workspace( system, control, workspace, mpi_data->world, msg ) ==
+  if (Init_Workspace( system, control, workspace, msg ) ==
       FAILURE) {
-    fprintf( stderr, "p%d:init_workspace: not enough memory\n",
-             system->my_rank );
-    fprintf( stderr, "p%d:workspace couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    system->error_ptr->one(FLERR, "init_workspace: not enough memory. "
+    "Workspace couldn't be initialized! Terminating.");
   }
 
   if (Init_ListsOMP( system, control, data, workspace, lists, mpi_data, msg ) ==
       FAILURE) {
-      fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-      fprintf( stderr, "p%d: system could not be initialized! terminating.\n",
-               system->my_rank );
-      MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+      snprintf( errmsg, 512, "Error on: %s. "
+      "System could not be initialized! Terminating.", msg );
+      system->error_ptr->one(FLERR, errmsg);
     }
 
   if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: could not open output files! terminating...\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    snprintf( errmsg, 512, "Error on: %s"
+    "Could not open output files! Terminating.", msg );
+    system->error_ptr->one(FLERR, errmsg);
   }
 
   if (control->tabulate) {
     if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) {
-      fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-      fprintf( stderr, "p%d: couldn't create lookup table! terminating.\n",
-               system->my_rank );
-      MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+      snprintf( errmsg, 512, "Error on: %s."
+      " Couldn't create lookup table! Terminating.", msg );
+      system->error_ptr->one(FLERR, errmsg);
     }
   }
 
diff --git a/src/USER-OMP/reaxc_nonbonded_omp.cpp b/src/USER-OMP/reaxc_nonbonded_omp.cpp
index 41b14747916b468b611c187446ac2d560c2c6ed6..ea92e0c2107a7820d0b4887aab10142eecd36d61 100644
--- a/src/USER-OMP/reaxc_nonbonded_omp.cpp
+++ b/src/USER-OMP/reaxc_nonbonded_omp.cpp
@@ -213,9 +213,9 @@ void vdW_Coulomb_Energy_OMP( reax_system *system, control_params *control,
           rvec_ScaledSum( delij, 1., system->my_atoms[i].x,
                           -1., system->my_atoms[j].x );
           f_tmp = -(CEvd + CEclmb);
-          pair_reax_ptr->ev_tally_thr_proxy( system->pair_ptr, i, j, natoms,
-                                             1, pe_vdw, e_ele, f_tmp,
-                                             delij[0], delij[1], delij[2], thr);
+          pair_reax_ptr->ev_tally_thr_proxy(system->pair_ptr, i, j, natoms,
+                                            1, pe_vdw, e_ele, f_tmp,
+                                            delij[0], delij[1], delij[2], thr);
         }
 
         if (control->virial == 0) {
@@ -281,6 +281,7 @@ void Tabulated_vdW_Coulomb_Energy_OMP(reax_system *system,control_params *contro
   int tid = 0;
 #endif
   long froffset = (system->N * tid);
+  LR_lookup_table ** & LR = system->LR;
 
   class PairReaxCOMP *pair_reax_ptr;
   pair_reax_ptr = static_cast<class PairReaxCOMP*>(system->pair_ptr);
diff --git a/src/USER-OMP/reaxc_valence_angles_omp.cpp b/src/USER-OMP/reaxc_valence_angles_omp.cpp
index 4164d39cabb7675308f3e98afa55b536b59b1d19..195f16a75d07a1475bab2480dcd28dfd126524ef 100644
--- a/src/USER-OMP/reaxc_valence_angles_omp.cpp
+++ b/src/USER-OMP/reaxc_valence_angles_omp.cpp
@@ -237,12 +237,12 @@ void Valence_AnglesOMP( reax_system *system, control_params *control,
 
       // Confirm that thb_intrs->num_intrs / nthreads is enough to hold all angles from a single atom
       if(my_offset >= (tid+1)*per_thread) {
-        int me;
-        MPI_Comm_rank(MPI_COMM_WORLD,&me);
-        fprintf( stderr, "step%d-ran out of space on angle_list on proc %i for atom %i:", data->step, me, j);
-        fprintf( stderr, " nthreads= %d, tid=%d, my_offset=%d, per_thread=%d\n", nthreads, tid, my_offset, per_thread);
-        fprintf( stderr, " num_intrs= %i  N= %i\n",thb_intrs->num_intrs , system->N);
-        MPI_Abort( MPI_COMM_WORLD, INSUFFICIENT_MEMORY );
+        char errmsg[512];
+        snprintf( errmsg, 512, "step%d-ran out of space on angle_list for atom %i:\n"
+        " nthreads= %d, tid=%d, my_offset=%d, per_thread=%d\n"
+        " num_intrs= %i  N= %i\n"
+        , data->step, j, nthreads, tid, my_offset, per_thread,thb_intrs->num_intrs , system->N);
+        control->error_ptr->one(FLERR, errmsg);
       }
 
       // Number of angles owned by this atom
@@ -601,9 +601,10 @@ void Valence_AnglesOMP( reax_system *system, control_params *control,
   if (num_thb_intrs >= thb_intrs->num_intrs * DANGER_ZONE) {
     workspace->realloc.num_3body = num_thb_intrs * TWICE;
     if (num_thb_intrs > thb_intrs->num_intrs) {
-      fprintf( stderr, "step%d-ran out of space on angle_list: top=%d, max=%d",
-               data->step, num_thb_intrs, thb_intrs->num_intrs );
-      MPI_Abort( MPI_COMM_WORLD, INSUFFICIENT_MEMORY );
+      char errmsg[128];
+      snprintf(errmsg, 128, "step%d-ran out of space on angle_list: top=%d, max=%d",
+               data->step, num_thb_intrs, thb_intrs->num_intrs);
+      control->error_ptr->one(FLERR, errmsg);
     }
   }
 
diff --git a/src/USER-PHONON/Install.sh b/src/USER-PHONON/Install.sh
index 3428415443f5bc59c8486dd1e6327a50265c34e4..a73f529cfadd0c6fa8e062fe0c936dbd01fc890f 100755
--- a/src/USER-PHONON/Install.sh
+++ b/src/USER-PHONON/Install.sh
@@ -40,3 +40,7 @@ fi
 
 action fix_phonon.cpp fft3d_wrap.h
 action fix_phonon.h fft3d_wrap.h
+action dynamical_matrix.cpp
+action dynamical_matrix.h
+action third_order.cpp
+action third_order.h
diff --git a/src/USER-PHONON/README b/src/USER-PHONON/README
index 2212eaaebd267adf6c124c819547c332f791d7a7..b554eacd5e203e39fd0ef4b1bfd8cc8475423567 100644
--- a/src/USER-PHONON/README
+++ b/src/USER-PHONON/README
@@ -1,19 +1,23 @@
 This package contains a fix phonon command that calculates dynamical
-matrices, which can then be used to compute phonon dispersion
-relations, directly from molecular dynamics simulations.
+matrices from finite temperature MD simulations, which can then be
+used to compute phonon dispersion relations, directly from molecular
+dynamics simulations.
 
-See the doc page for the fix phonon command for detailed usage
-instructions.
+It also contains a command to compute the dynamical matrix at
+pre-optimized positions through finite differences.
+
+See the doc page for the fix phonon command or the dynamical_matrix
+command for detailed usage instructions.
 
 Use of this package requires building LAMMPS with FFT suppport, as
 described in doc/Section_start.html.
 
-There are example scripts for using this package in
+There are example scripts for using commands in this package in
 examples/USER/phonon.
 
 There is an auxiliary post-processing tool in tools/phonon that will
 compute phonon frequencies and dispersion relations from the dynamical
-matrices output by this command.
+matrices output by the fix phonon command.
 
 There is also an alternative code, dump2phonon, available which enables
 one to use the functions of fix-phonon by reading in atom-style dump
@@ -21,6 +25,10 @@ files of lammps (which can be converted from the trajectories of any
 other MD code):
    https://github.com/lingtikong/dump2phonon
 
-The person who created this package is Ling-Ti Kong (konglt at
+The person who created fix phonon is Ling-Ti Kong (konglt at
 sjtu.edu.cn) at Shanghai Jiao Tong University.  Contact him directly
 if you have questions.
+
+The person who created the dynamical_matrix command is Charlie Sievers
+(charliesievers at cox.net) at UC Davis. Contact him directly if you
+have questions about his code.
diff --git a/src/USER-PHONON/dynamical_matrix.cpp b/src/USER-PHONON/dynamical_matrix.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..d94bd11a80530708957993b36c0a30222518b993
--- /dev/null
+++ b/src/USER-PHONON/dynamical_matrix.cpp
@@ -0,0 +1,573 @@
+//
+// Created by charlie sievers on 6/21/18.
+//
+
+#include <mpi.h>
+#include <cstdlib>
+#include "dynamical_matrix.h"
+#include "atom.h"
+#include "modify.h"
+#include "domain.h"
+#include "comm.h"
+#include "group.h"
+#include "force.h"
+#include "math_extra.h"
+#include "memory.h"
+#include "bond.h"
+#include "angle.h"
+#include "dihedral.h"
+#include "improper.h"
+#include "kspace.h"
+#include "update.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "timer.h"
+#include "finish.h"
+#include <algorithm>
+
+
+using namespace LAMMPS_NS;
+enum{REGULAR,ESKM};
+
+/* ---------------------------------------------------------------------- */
+
+DynamicalMatrix::DynamicalMatrix(LAMMPS *lmp) : Pointers(lmp), fp(NULL)
+{
+    external_force_clear = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+DynamicalMatrix::~DynamicalMatrix()
+{
+    if (fp && me == 0) fclose(fp);
+    memory->destroy(groupmap);
+    fp = NULL;
+}
+
+/* ----------------------------------------------------------------------
+   setup without output or one-time post-init setup
+   flag = 0 = just force calculation
+   flag = 1 = reneighbor and force calculation
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::setup()
+{
+    // setup domain, communication and neighboring
+    // acquire ghosts
+    // build neighbor lists
+    if (triclinic) domain->x2lamda(atom->nlocal);
+    domain->pbc();
+    domain->reset_box();
+    comm->setup();
+    if (neighbor->style) neighbor->setup_bins();
+    comm->exchange();
+    comm->borders();
+    if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
+    domain->image_check();
+    domain->box_too_small_check();
+    neighbor->build(1);
+    neighbor->ncalls = 0;
+    neighbor->every = 2;                       // build every this many steps
+    neighbor->delay = 1;
+    neighbor->ago = 0;
+    neighbor->ndanger = 0;
+
+    // compute all forces
+    external_force_clear = 0;
+    eflag=0;
+    vflag=0;
+    update_force();
+
+    //if all then skip communication groupmap population
+    if (gcount == atom->natoms)
+        for (bigint i=0; i<atom->natoms; i++)
+            groupmap[i] = i;
+    else
+        create_groupmap();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DynamicalMatrix::command(int narg, char **arg)
+{
+    MPI_Comm_rank(world,&me);
+
+    if (domain->box_exist == 0)
+        error->all(FLERR,"Dynamical_matrix command before simulation box is defined");
+    if (narg < 2) error->all(FLERR,"Illegal dynamical_matrix command");
+
+    lmp->init();
+
+    // orthogonal vs triclinic simulation box
+
+    triclinic = domain->triclinic;
+
+    if (force->pair && force->pair->compute_flag) pair_compute_flag = 1;
+    else pair_compute_flag = 0;
+    if (force->kspace && force->kspace->compute_flag) kspace_compute_flag = 1;
+    else kspace_compute_flag = 0;
+
+    // group and style
+
+    igroup = group->find(arg[0]);
+    if (igroup == -1) error->all(FLERR,"Could not find dynamical matrix group ID");
+    groupbit = group->bitmask[igroup];
+    gcount = group->count(igroup);
+    dynlen = (gcount)*3;
+    memory->create(groupmap,atom->natoms,"total_group_map:totalgm");
+    update->setupflag = 1;
+
+    int style = -1;
+    if (strcmp(arg[1],"regular") == 0) style = REGULAR;
+    else if (strcmp(arg[1],"eskm") == 0) style = ESKM;
+    else error->all(FLERR,"Illegal Dynamical Matrix command");
+    del = force->numeric(FLERR, arg[2]);
+
+    // set option defaults
+
+    binaryflag = 0;
+    scaleflag = 0;
+    compressed = 0;
+    file_flag = 0;
+    file_opened = 0;
+    conversion = 1;
+
+    // read options from end of input line
+    if (style == REGULAR) options(narg-3,&arg[3]);  //COME BACK
+    else if (style == ESKM) options(narg-3,&arg[3]); //COME BACK
+    else if (comm->me == 0 && screen) fprintf(screen,"Illegal Dynamical Matrix command\n");
+
+    if (atom->map_style == 0)
+      error->all(FLERR,"Dynamical_matrix command requires an atom map, see atom_modify");
+
+    // move atoms by 3-vector or specified variable(s)
+
+    if (style == REGULAR) {
+        setup();
+        timer->init();
+        timer->barrier_start();
+        calculateMatrix();
+        timer->barrier_stop();
+    }
+
+    if (style == ESKM) {
+        setup();
+        convert_units(update->unit_style);
+        conversion = conv_energy/conv_distance/conv_mass;
+        timer->init();
+        timer->barrier_start();
+        calculateMatrix();
+        timer->barrier_stop();
+    }
+
+    Finish finish(lmp);
+    finish.end(1);
+}
+
+/* ----------------------------------------------------------------------
+   parse optional parameters
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::options(int narg, char **arg)
+{
+    if (narg < 0) error->all(FLERR,"Illegal dynamical_matrix command");
+    int iarg = 0;
+    const char* filename = "dynmat.dyn";
+    while (iarg < narg) {
+        if (strcmp(arg[iarg],"binary") == 0) {
+            if (iarg + 2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
+            if (strcmp(arg[iarg+1],"gzip") == 0) {
+                compressed = 1;
+            }
+            else if (strcmp(arg[iarg+1],"yes") == 0) {
+                binaryflag = 1;
+            }
+            iarg += 2;
+        }
+        else if (strcmp(arg[iarg],"file") == 0) {
+            if (iarg+2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
+            filename = arg[iarg + 1];
+            file_flag = 1;
+            iarg += 2;
+        } else error->all(FLERR,"Illegal dynamical_matrix command");
+    }
+    if (file_flag == 1) {
+        openfile(filename);
+    }
+}
+
+/* ----------------------------------------------------------------------
+   generic opening of a file
+   ASCII or binary or gzipped
+   some derived classes override this function
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::openfile(const char* filename)
+{
+    // if file already opened, return
+    //if (me!=0) return;
+    if (file_opened) return;
+
+    if (compressed) {
+#ifdef LAMMPS_GZIP
+        char gzip[128];
+    sprintf(gzip,"gzip -6 > %s",filename);
+#ifdef _WIN32
+    fp = _popen(gzip,"wb");
+#else
+    fp = popen(gzip,"w");
+#endif
+#else
+        error->one(FLERR,"Cannot open gzipped file");
+#endif
+    } else if (binaryflag) {
+        fp = fopen(filename,"wb");
+    } else {
+        fp = fopen(filename,"w");
+    }
+
+    if (fp == NULL) error->one(FLERR,"Cannot open dump file");
+
+    file_opened = 1;
+}
+
+/* ----------------------------------------------------------------------
+   create dynamical matrix
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::calculateMatrix()
+{
+    int local_idx; // local index
+    int local_jdx; // second local index
+    int nlocal = atom->nlocal;
+    bigint natoms = atom->natoms;
+    int *type = atom->type;
+    bigint *gm = groupmap;
+    double imass; // dynamical matrix element
+    double *m = atom->mass;
+    double **f = atom->f;
+
+    double **dynmat = new double*[3];
+    for (int i=0; i<3; i++)
+        dynmat[i] = new double[dynlen];
+
+    double **fdynmat = new double*[3];
+    for (int i=0; i<3; i++)
+        fdynmat[i] = new double[dynlen];
+
+    //initialize dynmat to all zeros
+    dynmat_clear(dynmat);
+
+    if (comm->me == 0 && screen) {
+        fprintf(screen,"Calculating Dynamical Matrix ...\n");
+        fprintf(screen,"  Total # of atoms = " BIGINT_FORMAT "\n", natoms);
+        fprintf(screen,"  Atoms in group = " BIGINT_FORMAT "\n", gcount);
+        fprintf(screen,"  Total dynamical matrix elements = " BIGINT_FORMAT "\n", (dynlen*dynlen) );
+    }
+    
+    // emit dynlen rows of dimalpha*dynlen*dimbeta elements
+
+    update->nsteps = 0;
+    int prog = 0;
+    for (bigint i=1; i<=natoms; i++){
+        local_idx = atom->map(i);
+        if (gm[i-1] < 0)
+            continue;
+        for (bigint alpha=0; alpha<3; alpha++){
+            displace_atom(local_idx, alpha, 1);
+            update_force();
+            for (bigint j=1; j<=natoms; j++){
+                local_jdx = atom->map(j);
+                if (local_idx >= 0 && local_jdx >= 0 && local_jdx < nlocal
+                    && gm[j-1] >= 0){
+                    for (int beta=0; beta<3; beta++){
+                        dynmat[alpha][gm[j-1]*3+beta] -= f[local_jdx][beta];
+                    }
+                }
+            }
+            displace_atom(local_idx,alpha,-2);
+            update_force();
+            for (bigint j=1; j<=natoms; j++){
+                local_jdx = atom->map(j);
+                if (local_idx >= 0 && local_jdx >= 0 && local_jdx < nlocal
+                    && gm[j-1] >= 0){
+                    for (bigint beta=0; beta<3; beta++){
+                        if (atom->rmass_flag == 1)
+                            imass = sqrt(m[local_idx] * m[local_jdx]);
+                        else
+                            imass = sqrt(m[type[local_idx]] * m[type[local_jdx]]);
+                        dynmat[alpha][gm[j-1]*3+beta] -= -f[local_jdx][beta];
+                        dynmat[alpha][gm[j-1]*3+beta] /= (2 * del * imass);
+                        dynmat[alpha][gm[j-1]*3+beta] *= conversion;
+                    }
+                }
+            }
+            displace_atom(local_idx,alpha,1);
+        }
+        for (int k=0; k<3; k++)
+            MPI_Reduce(dynmat[k],fdynmat[k],dynlen,MPI_DOUBLE,MPI_SUM,0,world);
+        if (me == 0)
+            writeMatrix(fdynmat);
+        dynmat_clear(dynmat);
+        if (comm->me == 0 && screen) {
+            int p = 10 * gm[i-1] / gcount;
+            if (p > prog) {
+              prog = p;
+              fprintf(screen," %d%%",p*10);
+              fflush(screen);
+            }
+        }
+    }
+    if (comm->me == 0 && screen) fprintf(screen,"\n");
+
+    for (int i=0; i < 3; i++)
+        delete [] dynmat[i];
+    delete [] dynmat;
+
+    for (int i=0; i < 3; i++)
+        delete [] fdynmat[i];
+    delete [] fdynmat;
+
+    if (screen && me ==0 ) fprintf(screen,"Finished Calculating Dynamical Matrix\n");
+}
+
+/* ----------------------------------------------------------------------
+   write dynamical matrix
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::writeMatrix(double **dynmat)
+{
+    if (me != 0 || !fp)
+        return;
+
+    clearerr(fp);
+    if (binaryflag) {
+        for (int i=0; i<3; i++)
+            fwrite(dynmat[i], sizeof(double), dynlen, fp);
+        if (ferror(fp))
+            error->one(FLERR, "Error writing to binary file");
+    } else {
+        for (int i = 0; i < 3; i++) {
+            for (bigint j = 0; j < dynlen; j++) {
+                if ((j+1)%3==0) fprintf(fp, "%4.8f\n", dynmat[i][j]);
+                else fprintf(fp, "%4.8f ",dynmat[i][j]);
+            }
+        }
+        if (ferror(fp))
+            error->one(FLERR,"Error writing to file");
+    }
+}
+
+/* ----------------------------------------------------------------------
+  Displace atoms
+   ---------------------------------------------------------------------- */
+
+void DynamicalMatrix::displace_atom(int local_idx, int direction, int magnitude)
+{
+    if (local_idx < 0) return;
+
+    double **x = atom->x;
+    int *sametag = atom->sametag;
+    int j = local_idx;
+
+    x[local_idx][direction] += del*magnitude;
+
+    while (sametag[j] >= 0){
+        j = sametag[j];
+        x[j][direction] += del*magnitude;
+    }
+}
+
+
+/* ----------------------------------------------------------------------
+   evaluate potential energy and forces
+   may migrate atoms due to reneighboring
+   return new energy, which should include nextra_global dof
+   return negative gradient stored in atom->f
+   return negative gradient for nextra_global dof in fextra
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::update_force()
+{
+    force_clear();
+
+    if (pair_compute_flag) {
+        force->pair->compute(eflag,vflag);
+        timer->stamp(Timer::PAIR);
+    }
+    if (atom->molecular) {
+        if (force->bond) force->bond->compute(eflag,vflag);
+        if (force->angle) force->angle->compute(eflag,vflag);
+        if (force->dihedral) force->dihedral->compute(eflag,vflag);
+        if (force->improper) force->improper->compute(eflag,vflag);
+        timer->stamp(Timer::BOND);
+    }
+    if (kspace_compute_flag) {
+        force->kspace->compute(eflag,vflag);
+        timer->stamp(Timer::KSPACE);
+    }
+    if (force->newton) {
+        comm->reverse_comm();
+        timer->stamp(Timer::COMM);
+    }
+    ++ update->nsteps;
+}
+
+/* ----------------------------------------------------------------------
+   clear force on own & ghost atoms
+   clear other arrays as needed
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::force_clear()
+{
+    if (external_force_clear) return;
+
+    // clear global force array
+    // if either newton flag is set, also include ghosts
+
+    size_t nbytes = sizeof(double) * atom->nlocal;
+    if (force->newton) nbytes += sizeof(double) * atom->nghost;
+
+    if (nbytes) {
+        memset(&atom->f[0][0],0,3*nbytes);
+    }
+}
+
+/* ----------------------------------------------------------------------
+   clear dynmat needed
+------------------------------------------------------------------------- */
+
+void DynamicalMatrix::dynmat_clear(double **dynmat)
+{
+
+    size_t nbytes = sizeof(double) * dynlen;
+
+    if (nbytes) {
+        for (int i=0; i<3; i++)
+            memset(&dynmat[i][0],0,nbytes);
+    }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DynamicalMatrix::convert_units(const char *style)
+{
+    // physical constants from:
+    // http://physics.nist.gov/cuu/Constants/Table/allascii.txt
+    // using thermochemical calorie = 4.184 J
+
+    if (strcmp(style,"lj") == 0) {
+        error->all(FLERR,"Conversion Not Set");
+        //conversion = 1; // lj -> 10 J/mol
+
+    } else if (strcmp(style,"real") == 0) {
+        conv_energy = 418.4; // kcal/mol -> 10 J/mol
+        conv_mass = 1; // g/mol -> g/mol
+        conv_distance = 1; // angstrom -> angstrom
+
+    } else if (strcmp(style,"metal") == 0) {
+        conv_energy = 9648.5; // eV -> 10 J/mol
+        conv_mass = 1; // g/mol -> g/mol
+        conv_distance = 1; // angstrom -> angstrom
+
+    } else if (strcmp(style,"si") == 0) {
+        if (comm->me) error->warning(FLERR,"Conversion Warning: Multiplication by Large Float");
+        conv_energy = 6.022E22; // J -> 10 J/mol
+        conv_mass = 6.022E26; // kg -> g/mol
+        conv_distance = 1E-10; // meter -> angstrom
+
+    } else if (strcmp(style,"cgs") == 0) {
+        if (comm->me) error->warning(FLERR,"Conversion Warning: Multiplication by Large Float");
+        conv_energy = 6.022E12; // Erg -> 10 J/mol
+        conv_mass = 6.022E23; // g -> g/mol
+        conv_distance = 1E-7; // centimeter -> angstrom
+
+    } else if (strcmp(style,"electron") == 0) {
+        conv_energy = 262550; // Hartree -> 10 J/mol
+        conv_mass = 1; // amu -> g/mol
+        conv_distance = 0.529177249; // bohr -> angstrom
+
+    } else if (strcmp(style,"micro") == 0) {
+        if (comm->me) error->warning(FLERR,"Conversion Warning: Untested Conversion");
+        conv_energy = 6.022E10; // picogram-micrometer^2/microsecond^2 -> 10 J/mol
+        conv_mass = 6.022E11; // pg -> g/mol
+        conv_distance = 1E-4; // micrometer -> angstrom
+
+    } else if (strcmp(style,"nano") == 0) {
+        if (comm->me) error->warning(FLERR,"Conversion Warning: Untested Conversion");
+        conv_energy = 6.022E4; // attogram-nanometer^2/nanosecond^2 -> 10 J/mol
+        conv_mass = 6.022E5; // ag -> g/mol
+        conv_distance = 0.1; // angstrom -> angstrom
+
+    } else error->all(FLERR,"Units Type Conversion Not Found");
+
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DynamicalMatrix::create_groupmap()
+{
+    //Create a group map which maps atom order onto group
+    // groupmap[global atom index-1] = output column/row
+
+    int local_idx; // local index
+    int gid = 0; //group index
+    int nlocal = atom->nlocal;
+    int *mask = atom->mask;
+    bigint natoms = atom->natoms;
+    int *recv = new int[comm->nprocs];
+    int *displs = new int[comm->nprocs];
+    bigint *temp_groupmap = new bigint[natoms];
+
+    //find number of local atoms in the group (final_gid)
+    for (bigint i=1; i<=natoms; i++){
+        local_idx = atom->map(i);
+        if ((local_idx >= 0) && (local_idx < nlocal) && mask[local_idx] & groupbit)
+            gid += 1; // gid at the end of loop is final_Gid
+    }
+    //create an array of length final_gid
+    bigint *sub_groupmap = new bigint[gid];
+
+    gid = 0;
+    //create a map between global atom id and group atom id for each proc
+    for (bigint i=1; i<=natoms; i++){
+        local_idx = atom->map(i);
+        if ((local_idx >= 0) && (local_idx < nlocal) && mask[local_idx] & groupbit){
+            sub_groupmap[gid] = i;
+            gid += 1;
+        }
+    }
+
+    //populate arrays for Allgatherv
+    for (int i=0; i<comm->nprocs; i++){
+        recv[i] = 0;
+    }
+    recv[comm->me] = gid;
+    MPI_Allreduce(recv,displs,comm->nprocs,MPI_INT,MPI_SUM,world);
+    for (int i=0; i<comm->nprocs; i++){
+        recv[i]=displs[i];
+        if (i>0) displs[i] = displs[i-1]+recv[i-1];
+        else displs[i] = 0;
+    }
+
+    //combine subgroup maps into total temporary groupmap
+    MPI_Allgatherv(sub_groupmap,gid,MPI_LMP_BIGINT,temp_groupmap,recv,displs,MPI_LMP_BIGINT,world);
+    std::sort(temp_groupmap,temp_groupmap+gcount);
+
+    //populate member groupmap based on temp groupmap
+    bigint j = 0;
+    for (bigint i=1; i<=natoms; i++){
+        // flag groupmap contents that are in temp_groupmap
+        if (j < gcount && i == temp_groupmap[j])
+            groupmap[i-1] = j++;
+        else
+            groupmap[i-1] = -1;
+    }
+
+    //free that memory!
+    delete[] recv;
+    delete[] displs;
+    delete[] sub_groupmap;
+    delete[] temp_groupmap;
+}
diff --git a/src/USER-PHONON/dynamical_matrix.h b/src/USER-PHONON/dynamical_matrix.h
new file mode 100644
index 0000000000000000000000000000000000000000..8ff11044eacd24e62015b133da7133e1ca53b91e
--- /dev/null
+++ b/src/USER-PHONON/dynamical_matrix.h
@@ -0,0 +1,74 @@
+//
+// Created by charlie sievers on 6/21/18.
+//
+
+#ifdef COMMAND_CLASS
+
+CommandStyle(dynamical_matrix,DynamicalMatrix)
+
+#else
+
+#ifndef LMP_DYNAMICAL_MATRIX_H
+#define LMP_DYNAMICAL_MATRIX_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+    class DynamicalMatrix : protected Pointers {
+    public:
+        DynamicalMatrix(class LAMMPS *);
+        virtual ~DynamicalMatrix();
+        void command(int, char **);
+        void setup();
+
+    protected:
+        int eflag,vflag;            // flags for energy/virial computation
+        int external_force_clear;   // clear forces locally or externally
+
+
+        int triclinic;              // 0 if domain is orthog, 1 if triclinic
+        int pairflag;
+
+        int pair_compute_flag;            // 0 if pair->compute is skipped
+        int kspace_compute_flag;          // 0 if kspace->compute is skipped
+
+        int nvec;                   // local atomic dof = length of xvec
+
+        void update_force();
+        void force_clear();
+        virtual void openfile(const char* filename);
+
+    private:
+        void options(int, char **);
+        void calculateMatrix();
+        void dynmat_clear(double **dynmat);
+        void create_groupmap();
+        void writeMatrix(double **dynmat);
+        void convert_units(const char *style);
+        void displace_atom(int local_idx, int direction, int magnitude);
+
+        double conversion;
+        double conv_energy;
+        double conv_distance;
+        double conv_mass;
+        double del;
+        int igroup,groupbit;
+        bigint gcount;             // number of atoms in group
+        bigint dynlen;             // rank of dynamical matrix
+        int scaleflag;
+        int me;
+        bigint *groupmap;
+
+        int compressed;            // 1 if dump file is written compressed, 0 no
+        int binaryflag;            // 1 if dump file is written binary, 0 no
+        int file_opened;           // 1 if openfile method has been called, 0 no
+        int file_flag;             // 1 custom file name, 0 dynmat.dat
+
+        FILE *fp;
+    };
+}
+
+
+#endif //LMP_DYNAMICAL_MATRIX_H
+#endif
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 635d08c573b00939b5247fe4d92d243b390e7d2e..8bd0ecca0511b438eaa5f47b0ed8288a568b2bf9 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -33,6 +33,8 @@
 #include "compute.h"
 #include "modify.h"
 #include "pair.h"
+#include "utils.h"
+#include "timer.h"
 
 #include "plumed/wrapper/Plumed.h"
 
@@ -250,15 +252,15 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
     // Avoid conflict with fixes that define internal pressure computes.
     // See comment in the setup method
 
-    if ((strncmp(check_style,"nph",3) == 0) ||
-        (strncmp(check_style,"npt",3) == 0) ||
-        (strncmp(check_style,"rigid/nph",9) == 0) ||
-        (strncmp(check_style,"rigid/npt",9) == 0) ||
-        (strncmp(check_style,"msst",4) == 0) ||
-        (strncmp(check_style,"nphug",5) == 0) ||
-        (strncmp(check_style,"ipi",3) == 0) ||
-        (strncmp(check_style,"press/berendsen",15) == 0) ||
-        (strncmp(check_style,"qbmsst",6) == 0))
+    if (utils::strmatch(check_style,"^nph") ||
+        utils::strmatch(check_style,"^npt") ||
+        utils::strmatch(check_style,"^rigid/nph") ||
+        utils::strmatch(check_style,"^rigid/npt") ||
+        utils::strmatch(check_style,"^msst") ||
+        utils::strmatch(check_style,"^nphug") ||
+        utils::strmatch(check_style,"^ipi") ||
+        utils::strmatch(check_style,"^press/berendsen") ||
+        utils::strmatch(check_style,"^qbmsst"))
       error->all(FLERR,"Fix plumed must be defined before any other fixes, "
                  "that compute pressure internally");
   }
@@ -289,7 +291,7 @@ int FixPlumed::setmask()
 
 void FixPlumed::init()
 {
-  if (strcmp(update->integrate_style,"respa") == 0)
+  if (utils::strmatch(update->integrate_style,"^respa"))
     nlevels_respa = ((Respa *) update->integrate)->nlevels;
 
   // This avoids nan pressure if compute_pressure is called
@@ -309,12 +311,12 @@ void FixPlumed::setup(int vflag)
   // has to be executed first. This creates a race condition with the
   // setup method of fix_nh. This is why in the constructor I check if
   // nh fixes have already been called.
-  if (strcmp(update->integrate_style,"verlet") == 0)
-    post_force(vflag);
-  else {
+  if (utils::strmatch(update->integrate_style,"^respa")) {
     ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
     post_force_respa(vflag,nlevels_respa-1,0);
     ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
+  } else {
+    post_force(vflag);
   }
 }
 
@@ -405,6 +407,8 @@ void FixPlumed::post_force(int /* vflag */)
 
   // pass all pointers to plumed:
   p->cmd("setStep",&step);
+  int plumedStopCondition=0; 
+  p->cmd("setStopFlag",&plumedStopCondition);
   p->cmd("setPositions",&atom->x[0][0]);
   p->cmd("setBox",&box[0][0]);
   p->cmd("setForces",&atom->f[0][0]);
@@ -477,6 +481,8 @@ void FixPlumed::post_force(int /* vflag */)
   // do the real calculation:
   p->cmd("performCalc");
 
+  if(plumedStopCondition) timer->force_timeout();
+
   // retransform virial to lammps representation and assign it to this
   // fix's virial. If the energy is biased, Plumed is giving back the full
   // virial and therefore we have to subtract the initial virial i.e. virial_lmp.
diff --git a/src/USER-PTM/compute_ptm_atom.h b/src/USER-PTM/compute_ptm_atom.h
index 5c10e0c44322776e1486f10d2376dafca26e715d..586d7a44cd77e37d8e3a991e0aac73c047190a8d 100644
--- a/src/USER-PTM/compute_ptm_atom.h
+++ b/src/USER-PTM/compute_ptm_atom.h
@@ -35,7 +35,7 @@ class ComputePTMAtom : public Compute {
 
  private:
   int nmax;
-  int32_t input_flags;
+  smallint input_flags;
   double rmsd_threshold;
   class NeighList *list;
   double **output;
diff --git a/src/USER-PTM/ptm_neighbour_ordering.h b/src/USER-PTM/ptm_neighbour_ordering.h
index 4a4fb8ce8b4646bf338e162b5c000b6eb4246fab..2a619880bb8fe2fb83ef20eb926c3e9740994b60 100644
--- a/src/USER-PTM/ptm_neighbour_ordering.h
+++ b/src/USER-PTM/ptm_neighbour_ordering.h
@@ -11,6 +11,7 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI
 #define PTM_NEIGHBOUR_ORDERING_H
 
 #include <cstddef>
+#include <stdint.h>
 
 namespace ptm {
 
diff --git a/src/USER-PTM/ptm_polar.cpp b/src/USER-PTM/ptm_polar.cpp
index 7a2695b504af14ab4919d2e52c9b09a2e0dab675..5e234127a9f93915fd669e47ac75e0b419724e02 100644
--- a/src/USER-PTM/ptm_polar.cpp
+++ b/src/USER-PTM/ptm_polar.cpp
@@ -88,6 +88,7 @@
 #include <cmath>
 #include <algorithm>
 #include <cstring>
+#include "ptm_polar.h"
 #include "ptm_quat.h"
 
 
diff --git a/src/USER-QTB/fix_qbmsst.cpp b/src/USER-QTB/fix_qbmsst.cpp
index e8a4f85eaa5edec07fc81d1ffdb6c4e4221758e3..b9b07664d2c0e0249571f7f2aa00f74139c54f29 100644
--- a/src/USER-QTB/fix_qbmsst.cpp
+++ b/src/USER-QTB/fix_qbmsst.cpp
@@ -41,6 +41,7 @@
 #include "group.h"
 #include "kspace.h"
 #include "thermo.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -410,14 +411,14 @@ void FixQBMSST::init()
   // rfix[] = indices to each fix rigid
   nrigid = 0;
   for (int i = 0; i < modify->nfix; i++)
-    if (strcmp(modify->fix[i]->style,"rigid") == 0 ||
-        strcmp(modify->fix[i]->style,"poems") == 0) nrigid++;
-  if (nrigid) {
+    if (utils::strmatch(modify->fix[i]->style,"^rigid") ||
+        (strcmp(modify->fix[i]->style,"poems") == 0)) nrigid++;
+  if (nrigid > 0) {
     rfix = new int[nrigid];
     nrigid = 0;
     for (int i = 0; i < modify->nfix; i++)
-      if (strcmp(modify->fix[i]->style,"rigid") == 0 ||
-          strcmp(modify->fix[i]->style,"poems") == 0) rfix[nrigid++] = i;
+      if (utils::strmatch(modify->fix[i]->style,"^rigid") ||
+          (strcmp(modify->fix[i]->style,"poems") == 0)) rfix[nrigid++] = i;
   }
 }
 
diff --git a/src/USER-QUIP/pair_quip.cpp b/src/USER-QUIP/pair_quip.cpp
index fce6313754c6f156bbdc94d3d6692ff541674554..ffc6ac1c708354b78a765a9f488cbb8ffcf538b1 100644
--- a/src/USER-QUIP/pair_quip.cpp
+++ b/src/USER-QUIP/pair_quip.cpp
@@ -39,11 +39,16 @@ using namespace LAMMPS_NS;
 
 PairQUIP::PairQUIP(LAMMPS *lmp) : Pair(lmp)
 {
-   single_enable = 0;
-   restartinfo = 0;
-   one_coeff = 1;
-   no_virial_fdotr_compute = 1;
-   manybody_flag = 1;
+  single_enable = 0;
+  restartinfo = 0;
+  one_coeff = 1;
+  no_virial_fdotr_compute = 1;
+  manybody_flag = 1;
+
+  map = NULL;
+  quip_potential = NULL;
+  quip_file = NULL;
+  quip_string = NULL;
 }
 
 PairQUIP::~PairQUIP()
@@ -52,8 +57,10 @@ PairQUIP::~PairQUIP()
     memory->destroy(setflag);
     memory->destroy(cutsq);
     delete [] map;
-    delete [] quip_potential;
   }
+  delete [] quip_potential;
+  delete [] quip_file;
+  delete [] quip_string;
 }
 
 void PairQUIP::compute(int eflag, int vflag)
@@ -75,8 +82,7 @@ void PairQUIP::compute(int eflag, int vflag)
 
   double *quip_local_e, *quip_force, *quip_local_virial, *quip_virial, quip_energy, *lattice;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else ev_unset();
+  ev_init(eflag,vflag);
 
   inum = list->inum;
   ilist = list->ilist;
@@ -101,14 +107,14 @@ void PairQUIP::compute(int eflag, int vflag)
     jnum = numneigh[i];
 
     for (jj = 0; jj < jnum; jj++) {
-       quip_neigh[iquip] = (jlist[jj] & NEIGHMASK) + 1;
-       iquip++;
+      quip_neigh[iquip] = (jlist[jj] & NEIGHMASK) + 1;
+      iquip++;
     }
   }
 
   atomic_numbers = new int[ntotal];
   for (ii = 0; ii < ntotal; ii++)
-     atomic_numbers[ii] = map[type[ii]-1];
+     atomic_numbers[ii] = map[type[ii]];
 
   quip_local_e = new double [ntotal];
   quip_force = new double [ntotal*3];
@@ -212,17 +218,20 @@ void PairQUIP::compute(int eflag, int vflag)
    global settings
 ------------------------------------------------------------------------- */
 
-void PairQUIP::settings(int narg, char **/*arg*/)
+void PairQUIP::settings(int narg, char ** /* arg */)
 {
   if (narg != 0) error->all(FLERR,"Illegal pair_style command");
-  if (strcmp(force->pair_style,"hybrid") == 0)
-    error->all(FLERR,"Pair style quip is only compatible with hybrid/overlay");
 
   // check if linked to the correct QUIP library API version
   // as of 2017-07-19 this is API_VERSION 1
   if (quip_lammps_api_version() != 1)
     error->all(FLERR,"QUIP LAMMPS wrapper API version is not compatible "
         "with this version of LAMMPS");
+
+  // QUIP potentials are parameterized in metal units
+
+  if (strcmp("metal",update->unit_style) != 0)
+    error->all(FLERR,"QUIP potentials require 'metal' units");
 }
 
 /* ----------------------------------------------------------------------
@@ -235,48 +244,58 @@ void PairQUIP::allocate()
 
   setflag = memory->create(setflag,n+1,n+1,"pair:setflag");
   cutsq = memory->create(cutsq,n+1,n+1,"pair:cutsq");
-  map = new int[n];
+  map = new int[n+1];
 }
 
 void PairQUIP::coeff(int narg, char **arg)
 {
-   if (!allocated) allocate();
+  if (!allocated) allocate();
 
-   int n = atom->ntypes;
+  int n = atom->ntypes;
+  if (narg != (4+n)) {
+    char str[1024];
+    sprintf(str,"Number of arguments %d is not correct, it should be %d", narg, 4+n);
+    error->all(FLERR,str);
+  }
 
   // ensure I,J args are * *
 
-   for (int i = 1; i <= n; i++){
-      for (int j = 1; j <= n; j++) {
-         setflag[i][j] = 1;
-      }
-   }
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+  n_quip_file = strlen(arg[2]);
+  quip_file = new char[n_quip_file+1];
+  strcpy(quip_file,arg[2]);
 
-   if (narg != (4+n)) {
-      char str[1024];
-      sprintf(str,"Number of arguments %d is not correct, it should be %d", narg, 4+n);
-      error->all(FLERR,str);
-   }
+  n_quip_string = strlen(arg[3]);
+  quip_string = new char[n_quip_string+1];
+  strcpy(quip_string,arg[3]);
 
-   if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
-      error->all(FLERR,"Incorrect args for pair coefficients");
+  for (int i = 4; i < narg; i++) {
+    if (strcmp(arg[i],"NULL") == 0)
+      map[i-3] = -1;
+    else
+      map[i-3] = force->inumeric(FLERR,arg[i]);
+  }
 
-   n_quip_file = strlen(arg[2]);
-   quip_file = new char[n_quip_file+1];
-   strcpy(quip_file,arg[2]);
+  // clear setflag since coeff() called once with I,J = * *
 
-   n_quip_string = strlen(arg[3]);
-   quip_string = new char[n_quip_string+1];
-   strcpy(quip_string,arg[3]);
+  n = atom->ntypes;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
 
-   for (int i = 4; i < narg; i++) {
+  // set setflag i,j for type pairs where both are mapped to elements
 
-      if (0 == sscanf(arg[i],"%d",&map[i-4])) {
-         char str[1024];
-         sprintf(str,"Incorrect atomic number %s at position %d",arg[i],i);
-         error->all(FLERR,str);
+  int count = 0;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      if (map[i] >= 0 && map[j] >= 0) {
+        setflag[i][j] = 1;
+        count++;
       }
-   }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
 
   // Initialise potential
   // First call initialises potential via the fortran code in memory, and returns the necessary size
diff --git a/src/USER-QUIP/pair_quip.h b/src/USER-QUIP/pair_quip.h
index debdc2cb831bedfe82bffb0e5efb2597aae5fb2a..216bf0dc28ea11b616962f649ea1b52131f30017 100644
--- a/src/USER-QUIP/pair_quip.h
+++ b/src/USER-QUIP/pair_quip.h
@@ -26,10 +26,10 @@ extern "C"
 {
   int quip_lammps_api_version();
   void quip_lammps_wrapper(int*, int*, int*, int*,
-      int*, int*, int*,
-      int*, int*, double*,
-      int*, int*, double*,
-      double*, double*, double*, double*, double*);
+                           int*, int*, int*,
+                           int*, int*, double*,
+                           int*, int*, double*,
+                           double*, double*, double*, double*, double*);
   void quip_lammps_potential_initialise(int*, int*, double*, char*, int*, char*, int*);
 }
 
diff --git a/src/USER-REAXC/fix_reaxc.cpp b/src/USER-REAXC/fix_reaxc.cpp
index c4701736631b1a345bda3e23f3ffe0d10f8aafb5..dc67ad6ffb0199c861f7cc3d179575281fe6edc2 100644
--- a/src/USER-REAXC/fix_reaxc.cpp
+++ b/src/USER-REAXC/fix_reaxc.cpp
@@ -42,16 +42,14 @@ FixReaxC::FixReaxC(LAMMPS *lmp,int narg, char **arg) :
   // perform initial allocation of atom-based arrays
   // register with atom class
 
+  oldnmax = 0;
   num_bonds = NULL;
   num_hbonds = NULL;
   grow_arrays(atom->nmax);
   atom->add_callback(0);
 
   // initialize arrays to MIN so atom migration is OK the 1st time
-
-  int nlocal = atom->nlocal;
-  for (int i = 0; i < nlocal; i++)
-    num_bonds[i] = num_hbonds[i] = MIN_REAX_BONDS;
+  // it is done in grow_arrays() now
 
   // set comm sizes needed by this fix
 
@@ -99,6 +97,11 @@ void FixReaxC::grow_arrays(int nmax)
 {
   memory->grow(num_bonds,nmax,"reaxc:num_bonds");
   memory->grow(num_hbonds,nmax,"reaxc:num_hbonds");
+  for (int i = oldnmax; i < nmax; i++) {
+    num_hbonds[i] = MIN_REAX_HBONDS;
+    num_bonds[i] = MIN_REAX_BONDS;
+  }
+  oldnmax = nmax;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-REAXC/fix_reaxc.h b/src/USER-REAXC/fix_reaxc.h
index 0e173f5ecefdf221cbfe7038222e370a2db057f8..6a370028472fc890777fa79ef5623057644be3d2 100644
--- a/src/USER-REAXC/fix_reaxc.h
+++ b/src/USER-REAXC/fix_reaxc.h
@@ -56,6 +56,7 @@ class FixReaxC : public Fix {
   int maxhbonds;             // max # of Hbonds for any atom
   int *num_bonds;            // # of bonds for each atom
   int *num_hbonds;           // # of Hbonds for each atom
+  int oldnmax;               // arrays' size before growing
 };
 
 }
diff --git a/src/USER-REAXC/pair_reaxc.cpp b/src/USER-REAXC/pair_reaxc.cpp
index b68e0d0779f179c7d240d0d3628db79cbe6fdb71..8f8dcfb8fc3439ad1be98c2ad8c8d2464ca02dc5 100644
--- a/src/USER-REAXC/pair_reaxc.cpp
+++ b/src/USER-REAXC/pair_reaxc.cpp
@@ -74,10 +74,15 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
   manybody_flag = 1;
   ghostneigh = 1;
 
+  fix_id = new char[24];
+  snprintf(fix_id,24,"REAXC_%d",instance_me);
+
   system = (reax_system *)
     memory->smalloc(sizeof(reax_system),"reax:system");
+  memset(system,0,sizeof(reax_system));
   control = (control_params *)
     memory->smalloc(sizeof(control_params),"reax:control");
+  memset(control,0,sizeof(control_params));
   data = (simulation_data *)
     memory->smalloc(sizeof(simulation_data),"reax:data");
   workspace = (storage *)
@@ -87,10 +92,11 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
   memset(lists,0,LIST_N * sizeof(reax_list));
   out_control = (output_controls *)
     memory->smalloc(sizeof(output_controls),"reax:out_control");
+  memset(out_control,0,sizeof(output_controls));
   mpi_data = (mpi_datatypes *)
     memory->smalloc(sizeof(mpi_datatypes),"reax:mpi");
 
-  MPI_Comm_rank(world,&system->my_rank);
+  control->me = system->my_rank = comm->me;
 
   system->my_coords[0] = 0;
   system->my_coords[1] = 0;
@@ -108,6 +114,8 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
   system->bndry_cuts.ghost_cutoff = 0;
   system->my_atoms = NULL;
   system->pair_ptr = this;
+  system->error_ptr = error;
+  control->error_ptr = error;
 
   system->omp_active = 0;
 
@@ -130,7 +138,8 @@ PairReaxC::~PairReaxC()
 {
   if (copymode) return;
 
-  if (fix_reax) modify->delete_fix("REAXC");
+  if (fix_reax) modify->delete_fix(fix_id);
+  delete[] fix_id;
 
   if (setup_flag) {
     Close_Output_Files( system, control, out_control, mpi_data );
@@ -139,10 +148,10 @@ PairReaxC::~PairReaxC()
 
     if (control->tabulate ) Deallocate_Lookup_Tables( system);
 
-    if (control->hbond_cut > 0 )  Delete_List( lists+HBONDS, world);
-    Delete_List( lists+BONDS, world );
-    Delete_List( lists+THREE_BODIES, world );
-    Delete_List( lists+FAR_NBRS, world );
+    if (control->hbond_cut > 0 )  Delete_List( lists+HBONDS );
+    Delete_List( lists+BONDS );
+    Delete_List( lists+THREE_BODIES );
+    Delete_List( lists+FAR_NBRS );
 
     DeAllocate_Workspace( control, workspace );
     DeAllocate_System( system );
@@ -380,6 +389,14 @@ void PairReaxC::init_style( )
     error->all(FLERR,"Pair style reax/c requires atom IDs");
   if (force->newton_pair == 0)
     error->all(FLERR,"Pair style reax/c requires newton pair on");
+  if ((atom->map_tag_max > 99999999) && (comm->me == 0))
+    error->warning(FLERR,"Some Atom-IDs are too large. Pair style reax/c "
+                   "native output files may get misformatted or corrupted");
+
+  // because system->bigN is an int, we cannot have more atoms than MAXSMALLINT
+
+  if (atom->natoms > MAXSMALLINT)
+    error->all(FLERR,"Too many atoms for pair style reax/c");
 
   // need a half neighbor list w/ Newton off and ghost neighbors
   // built whenever re-neighboring occurs
@@ -394,11 +411,12 @@ void PairReaxC::init_style( )
                    "increased neighbor list skin.");
 
   for( int i = 0; i < LIST_N; ++i )
-    lists[i].allocated = 0;
+    if (lists[i].allocated != 1)
+      lists[i].allocated = 0;
 
   if (fix_reax == NULL) {
     char **fixarg = new char*[3];
-    fixarg[0] = (char *) "REAXC";
+    fixarg[0] = (char *) fix_id;
     fixarg[1] = (char *) "all";
     fixarg[2] = (char *) "REAXC";
     modify->add_fix(3,fixarg);
@@ -436,13 +454,14 @@ void PairReaxC::setup( )
 
     // initialize my data structures
 
-    PreAllocate_Space( system, control, workspace, world );
+    PreAllocate_Space( system, control, workspace );
     write_reax_atoms();
 
     int num_nbrs = estimate_reax_lists();
     if(!Make_List(system->total_cap, num_nbrs, TYP_FAR_NEIGHBOR,
-                  lists+FAR_NBRS, world))
-      error->all(FLERR,"Pair reax/c problem in far neighbor list");
+                  lists+FAR_NBRS))
+      error->one(FLERR,"Pair reax/c problem in far neighbor list");
+    (lists+FAR_NBRS)->error_ptr=error;
 
     write_reax_lists();
     Initialize( system, control, data, workspace, &lists, out_control,
@@ -465,7 +484,7 @@ void PairReaxC::setup( )
 
     // check if I need to shrink/extend my data-structs
 
-    ReAllocate( system, control, data, workspace, &lists, mpi_data );
+    ReAllocate( system, control, data, workspace, &lists );
   }
 
   bigint local_ngroup = list->inum;
@@ -497,8 +516,7 @@ void PairReaxC::compute(int eflag, int vflag)
   int *num_hbonds = fix_reax->num_hbonds;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else ev_unset();
+  ev_init(eflag,vflag);
 
   if (vflag_global) control->virial = 1;
   else control->virial = 0;
@@ -517,7 +535,7 @@ void PairReaxC::compute(int eflag, int vflag)
 
   setup();
 
-  Reset( system, control, data, workspace, &lists, world );
+  Reset( system, control, data, workspace, &lists );
   workspace->realloc.num_far = write_reax_lists();
   // timing for filling in the reax lists
   if (comm->me == 0) {
diff --git a/src/USER-REAXC/pair_reaxc.h b/src/USER-REAXC/pair_reaxc.h
index 91b44be66187347ba9de0544dfde165504c48fca..a833ddbcf018f9dc7d14e7c72186a6bd45be9ba9 100644
--- a/src/USER-REAXC/pair_reaxc.h
+++ b/src/USER-REAXC/pair_reaxc.h
@@ -60,6 +60,7 @@ class PairReaxC : public Pair {
   bigint ngroup;
 
  protected:
+  char *fix_id;
   double cutmax;
   int nelements;                // # of unique elements
   char **elements;              // names of unique elements
diff --git a/src/USER-REAXC/reaxc_allocate.cpp b/src/USER-REAXC/reaxc_allocate.cpp
index 700e68514c98828941cdb99d9540d2aa33d6a41a..460f8aeb6a77fb1754059af169ec5a6c8ac2dd58 100644
--- a/src/USER-REAXC/reaxc_allocate.cpp
+++ b/src/USER-REAXC/reaxc_allocate.cpp
@@ -35,12 +35,14 @@
 #include <omp.h>
 #endif
 
+#include "error.h"
+
 /* allocate space for my_atoms
    important: we cannot know the exact number of atoms that will fall into a
    process's box throughout the whole simulation. therefore
    we need to make upper bound estimates for various data structures */
 int PreAllocate_Space( reax_system *system, control_params * /*control*/,
-                       storage * workspace, MPI_Comm comm )
+                       storage * workspace )
 {
   int mincap = system->mincap;
   double safezone = system->safezone;
@@ -51,7 +53,7 @@ int PreAllocate_Space( reax_system *system, control_params * /*control*/,
   system->total_cap = MAX( (int)(system->N * safezone), mincap );
 
   system->my_atoms = (reax_atom*)
-    scalloc( system->total_cap, sizeof(reax_atom), "my_atoms", comm );
+    scalloc(system->error_ptr,  system->total_cap, sizeof(reax_atom), "my_atoms");
 
   // Nullify some arrays only used in omp styles
   // Should be safe to do here since called in pair->setup();
@@ -86,39 +88,39 @@ void DeAllocate_System( reax_system *system )
   int ntypes;
   reax_interaction *ff_params;
 
-  // dealloocate the atom list
-  sfree( system->my_atoms, "system->my_atoms" );
+  // deallocate the atom list
+  sfree(system->error_ptr,  system->my_atoms, "system->my_atoms" );
 
   // deallocate the ffield parameters storage
   ff_params = &(system->reax_param);
   ntypes = ff_params->num_atom_types;
 
-  sfree( ff_params->gp.l, "ff:globals" );
+  sfree(system->error_ptr,  ff_params->gp.l, "ff:globals" );
 
   for( i = 0; i < ntypes; ++i ) {
     for( j = 0; j < ntypes; ++j ) {
       for( k = 0; k < ntypes; ++k ) {
-        sfree( ff_params->fbp[i][j][k], "ff:fbp[i,j,k]" );
+        sfree(system->error_ptr,  ff_params->fbp[i][j][k], "ff:fbp[i,j,k]" );
       }
-      sfree( ff_params->fbp[i][j], "ff:fbp[i,j]" );
-      sfree( ff_params->thbp[i][j], "ff:thbp[i,j]" );
-      sfree( ff_params->hbp[i][j], "ff:hbp[i,j]" );
+      sfree(system->error_ptr,  ff_params->fbp[i][j], "ff:fbp[i,j]" );
+      sfree(system->error_ptr,  ff_params->thbp[i][j], "ff:thbp[i,j]" );
+      sfree(system->error_ptr,  ff_params->hbp[i][j], "ff:hbp[i,j]" );
     }
-    sfree( ff_params->fbp[i], "ff:fbp[i]" );
-    sfree( ff_params->thbp[i], "ff:thbp[i]" );
-    sfree( ff_params->hbp[i], "ff:hbp[i]" );
-    sfree( ff_params->tbp[i], "ff:tbp[i]" );
+    sfree(system->error_ptr,  ff_params->fbp[i], "ff:fbp[i]" );
+    sfree(system->error_ptr,  ff_params->thbp[i], "ff:thbp[i]" );
+    sfree(system->error_ptr,  ff_params->hbp[i], "ff:hbp[i]" );
+    sfree(system->error_ptr,  ff_params->tbp[i], "ff:tbp[i]" );
   }
-  sfree( ff_params->fbp, "ff:fbp" );
-  sfree( ff_params->thbp, "ff:thbp" );
-  sfree( ff_params->hbp, "ff:hbp" );
-  sfree( ff_params->tbp, "ff:tbp" );
-  sfree( ff_params->sbp, "ff:sbp" );
+  sfree(system->error_ptr,  ff_params->fbp, "ff:fbp" );
+  sfree(system->error_ptr,  ff_params->thbp, "ff:thbp" );
+  sfree(system->error_ptr,  ff_params->hbp, "ff:hbp" );
+  sfree(system->error_ptr,  ff_params->tbp, "ff:tbp" );
+  sfree(system->error_ptr,  ff_params->sbp, "ff:sbp" );
 }
 
 
 /*************       workspace        *************/
-void DeAllocate_Workspace( control_params * /*control*/, storage *workspace )
+void DeAllocate_Workspace( control_params * control, storage *workspace )
 {
   int i;
 
@@ -129,86 +131,86 @@ void DeAllocate_Workspace( control_params * /*control*/, storage *workspace )
 
   /* communication storage */
   for( i = 0; i < MAX_NBRS; ++i ) {
-    sfree( workspace->tmp_dbl[i], "tmp_dbl[i]" );
-    sfree( workspace->tmp_rvec[i], "tmp_rvec[i]" );
-    sfree( workspace->tmp_rvec2[i], "tmp_rvec2[i]" );
+    sfree(control->error_ptr,  workspace->tmp_dbl[i], "tmp_dbl[i]" );
+    sfree(control->error_ptr,  workspace->tmp_rvec[i], "tmp_rvec[i]" );
+    sfree(control->error_ptr,  workspace->tmp_rvec2[i], "tmp_rvec2[i]" );
   }
 
   /* bond order storage */
-  sfree( workspace->within_bond_box, "skin" );
-  sfree( workspace->total_bond_order, "total_bo" );
-  sfree( workspace->Deltap, "Deltap" );
-  sfree( workspace->Deltap_boc, "Deltap_boc" );
-  sfree( workspace->dDeltap_self, "dDeltap_self" );
-  sfree( workspace->Delta, "Delta" );
-  sfree( workspace->Delta_lp, "Delta_lp" );
-  sfree( workspace->Delta_lp_temp, "Delta_lp_temp" );
-  sfree( workspace->dDelta_lp, "dDelta_lp" );
-  sfree( workspace->dDelta_lp_temp, "dDelta_lp_temp" );
-  sfree( workspace->Delta_e, "Delta_e" );
-  sfree( workspace->Delta_boc, "Delta_boc" );
-  sfree( workspace->Delta_val, "Delta_val" );
-  sfree( workspace->nlp, "nlp" );
-  sfree( workspace->nlp_temp, "nlp_temp" );
-  sfree( workspace->Clp, "Clp" );
-  sfree( workspace->vlpex, "vlpex" );
-  sfree( workspace->bond_mark, "bond_mark" );
-  sfree( workspace->done_after, "done_after" );
+  sfree(control->error_ptr,  workspace->within_bond_box, "skin" );
+  sfree(control->error_ptr,  workspace->total_bond_order, "total_bo" );
+  sfree(control->error_ptr,  workspace->Deltap, "Deltap" );
+  sfree(control->error_ptr,  workspace->Deltap_boc, "Deltap_boc" );
+  sfree(control->error_ptr,  workspace->dDeltap_self, "dDeltap_self" );
+  sfree(control->error_ptr,  workspace->Delta, "Delta" );
+  sfree(control->error_ptr,  workspace->Delta_lp, "Delta_lp" );
+  sfree(control->error_ptr,  workspace->Delta_lp_temp, "Delta_lp_temp" );
+  sfree(control->error_ptr,  workspace->dDelta_lp, "dDelta_lp" );
+  sfree(control->error_ptr,  workspace->dDelta_lp_temp, "dDelta_lp_temp" );
+  sfree(control->error_ptr,  workspace->Delta_e, "Delta_e" );
+  sfree(control->error_ptr,  workspace->Delta_boc, "Delta_boc" );
+  sfree(control->error_ptr,  workspace->Delta_val, "Delta_val" );
+  sfree(control->error_ptr,  workspace->nlp, "nlp" );
+  sfree(control->error_ptr,  workspace->nlp_temp, "nlp_temp" );
+  sfree(control->error_ptr,  workspace->Clp, "Clp" );
+  sfree(control->error_ptr,  workspace->vlpex, "vlpex" );
+  sfree(control->error_ptr,  workspace->bond_mark, "bond_mark" );
+  sfree(control->error_ptr,  workspace->done_after, "done_after" );
 
   /* QEq storage */
-  sfree( workspace->Hdia_inv, "Hdia_inv" );
-  sfree( workspace->b_s, "b_s" );
-  sfree( workspace->b_t, "b_t" );
-  sfree( workspace->b_prc, "b_prc" );
-  sfree( workspace->b_prm, "b_prm" );
-  sfree( workspace->s, "s" );
-  sfree( workspace->t, "t" );
-  sfree( workspace->droptol, "droptol" );
-  sfree( workspace->b, "b" );
-  sfree( workspace->x, "x" );
+  sfree(control->error_ptr,  workspace->Hdia_inv, "Hdia_inv" );
+  sfree(control->error_ptr,  workspace->b_s, "b_s" );
+  sfree(control->error_ptr,  workspace->b_t, "b_t" );
+  sfree(control->error_ptr,  workspace->b_prc, "b_prc" );
+  sfree(control->error_ptr,  workspace->b_prm, "b_prm" );
+  sfree(control->error_ptr,  workspace->s, "s" );
+  sfree(control->error_ptr,  workspace->t, "t" );
+  sfree(control->error_ptr,  workspace->droptol, "droptol" );
+  sfree(control->error_ptr,  workspace->b, "b" );
+  sfree(control->error_ptr,  workspace->x, "x" );
 
   /* GMRES storage */
   for( i = 0; i < RESTART+1; ++i ) {
-    sfree( workspace->h[i], "h[i]" );
-    sfree( workspace->v[i], "v[i]" );
+    sfree(control->error_ptr,  workspace->h[i], "h[i]" );
+    sfree(control->error_ptr,  workspace->v[i], "v[i]" );
   }
-  sfree( workspace->h, "h" );
-  sfree( workspace->v, "v" );
-  sfree( workspace->y, "y" );
-  sfree( workspace->z, "z" );
-  sfree( workspace->g, "g" );
-  sfree( workspace->hs, "hs" );
-  sfree( workspace->hc, "hc" );
+  sfree(control->error_ptr,  workspace->h, "h" );
+  sfree(control->error_ptr,  workspace->v, "v" );
+  sfree(control->error_ptr,  workspace->y, "y" );
+  sfree(control->error_ptr,  workspace->z, "z" );
+  sfree(control->error_ptr,  workspace->g, "g" );
+  sfree(control->error_ptr,  workspace->hs, "hs" );
+  sfree(control->error_ptr,  workspace->hc, "hc" );
   /* CG storage */
-  sfree( workspace->r, "r" );
-  sfree( workspace->d, "d" );
-  sfree( workspace->q, "q" );
-  sfree( workspace->p, "p" );
-  sfree( workspace->r2, "r2" );
-  sfree( workspace->d2, "d2" );
-  sfree( workspace->q2, "q2" );
-  sfree( workspace->p2, "p2" );
+  sfree(control->error_ptr,  workspace->r, "r" );
+  sfree(control->error_ptr,  workspace->d, "d" );
+  sfree(control->error_ptr,  workspace->q, "q" );
+  sfree(control->error_ptr,  workspace->p, "p" );
+  sfree(control->error_ptr,  workspace->r2, "r2" );
+  sfree(control->error_ptr,  workspace->d2, "d2" );
+  sfree(control->error_ptr,  workspace->q2, "q2" );
+  sfree(control->error_ptr,  workspace->p2, "p2" );
 
   /* integrator storage */
-  sfree( workspace->v_const, "v_const" );
+  sfree(control->error_ptr,  workspace->v_const, "v_const" );
 
   /* force related storage */
-  sfree( workspace->f, "f" );
-  sfree( workspace->CdDelta, "CdDelta" );
+  sfree(control->error_ptr,  workspace->f, "f" );
+  sfree(control->error_ptr,  workspace->CdDelta, "CdDelta" );
 
   /* reductions */
 #ifdef LMP_USER_OMP
-  if (workspace->CdDeltaReduction) sfree( workspace->CdDeltaReduction, "cddelta_reduce" );
-  if (workspace->forceReduction) sfree( workspace->forceReduction, "f_reduce" );
-  if (workspace->valence_angle_atom_myoffset) sfree( workspace->valence_angle_atom_myoffset, "valence_angle_atom_myoffset");
-  if (workspace->my_ext_pressReduction) sfree( workspace->my_ext_pressReduction, "ext_press_reduce");
+  if (workspace->CdDeltaReduction) sfree(control->error_ptr,  workspace->CdDeltaReduction, "cddelta_reduce" );
+  if (workspace->forceReduction) sfree(control->error_ptr,  workspace->forceReduction, "f_reduce" );
+  if (workspace->valence_angle_atom_myoffset) sfree(control->error_ptr,  workspace->valence_angle_atom_myoffset, "valence_angle_atom_myoffset");
+  if (workspace->my_ext_pressReduction) sfree(control->error_ptr,  workspace->my_ext_pressReduction, "ext_press_reduce");
 #endif
 }
 
 
 int Allocate_Workspace( reax_system * /*system*/, control_params * control,
                         storage *workspace, int local_cap, int total_cap,
-                        MPI_Comm comm, char * /*msg*/ )
+                        char * /*msg*/ )
 {
   int i, total_real, total_rvec, local_rvec;
 
@@ -220,94 +222,94 @@ int Allocate_Workspace( reax_system * /*system*/, control_params * control,
   /* communication storage */
   for( i = 0; i < MAX_NBRS; ++i ) {
     workspace->tmp_dbl[i] = (double*)
-      scalloc( total_cap, sizeof(double), "tmp_dbl", comm );
+      scalloc(control->error_ptr,  total_cap, sizeof(double), "tmp_dbl");
     workspace->tmp_rvec[i] = (rvec*)
-      scalloc( total_cap, sizeof(rvec), "tmp_rvec", comm );
+      scalloc(control->error_ptr,  total_cap, sizeof(rvec), "tmp_rvec");
     workspace->tmp_rvec2[i] = (rvec2*)
-      scalloc( total_cap, sizeof(rvec2), "tmp_rvec2", comm );
+      scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "tmp_rvec2");
   }
 
   /* bond order related storage  */
   workspace->within_bond_box = (int*)
-    scalloc( total_cap, sizeof(int), "skin", comm );
-  workspace->total_bond_order = (double*) smalloc( total_real, "total_bo", comm );
-  workspace->Deltap = (double*) smalloc( total_real, "Deltap", comm );
-  workspace->Deltap_boc = (double*) smalloc( total_real, "Deltap_boc", comm );
-  workspace->dDeltap_self = (rvec*) smalloc( total_rvec, "dDeltap_self", comm );
-  workspace->Delta = (double*) smalloc( total_real, "Delta", comm );
-  workspace->Delta_lp = (double*) smalloc( total_real, "Delta_lp", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(int), "skin");
+  workspace->total_bond_order = (double*) smalloc(control->error_ptr,  total_real, "total_bo");
+  workspace->Deltap = (double*) smalloc(control->error_ptr,  total_real, "Deltap");
+  workspace->Deltap_boc = (double*) smalloc(control->error_ptr,  total_real, "Deltap_boc");
+  workspace->dDeltap_self = (rvec*) smalloc(control->error_ptr,  total_rvec, "dDeltap_self");
+  workspace->Delta = (double*) smalloc(control->error_ptr,  total_real, "Delta");
+  workspace->Delta_lp = (double*) smalloc(control->error_ptr,  total_real, "Delta_lp");
   workspace->Delta_lp_temp = (double*)
-    smalloc( total_real, "Delta_lp_temp", comm );
-  workspace->dDelta_lp = (double*) smalloc( total_real, "dDelta_lp", comm );
+    smalloc(control->error_ptr,  total_real, "Delta_lp_temp");
+  workspace->dDelta_lp = (double*) smalloc(control->error_ptr,  total_real, "dDelta_lp");
   workspace->dDelta_lp_temp = (double*)
-    smalloc( total_real, "dDelta_lp_temp", comm );
-  workspace->Delta_e = (double*) smalloc( total_real, "Delta_e", comm );
-  workspace->Delta_boc = (double*) smalloc( total_real, "Delta_boc", comm );
-  workspace->Delta_val = (double*) smalloc( total_real, "Delta_val", comm );
-  workspace->nlp = (double*) smalloc( total_real, "nlp", comm );
-  workspace->nlp_temp = (double*) smalloc( total_real, "nlp_temp", comm );
-  workspace->Clp = (double*) smalloc( total_real, "Clp", comm );
-  workspace->vlpex = (double*) smalloc( total_real, "vlpex", comm );
+    smalloc(control->error_ptr,  total_real, "dDelta_lp_temp");
+  workspace->Delta_e = (double*) smalloc(control->error_ptr,  total_real, "Delta_e");
+  workspace->Delta_boc = (double*) smalloc(control->error_ptr,  total_real, "Delta_boc");
+  workspace->Delta_val = (double*) smalloc(control->error_ptr,  total_real, "Delta_val");
+  workspace->nlp = (double*) smalloc(control->error_ptr,  total_real, "nlp");
+  workspace->nlp_temp = (double*) smalloc(control->error_ptr,  total_real, "nlp_temp");
+  workspace->Clp = (double*) smalloc(control->error_ptr,  total_real, "Clp");
+  workspace->vlpex = (double*) smalloc(control->error_ptr,  total_real, "vlpex");
   workspace->bond_mark = (int*)
-    scalloc( total_cap, sizeof(int), "bond_mark", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(int), "bond_mark");
   workspace->done_after = (int*)
-    scalloc( total_cap, sizeof(int), "done_after", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(int), "done_after");
 
   /* QEq storage */
   workspace->Hdia_inv = (double*)
-    scalloc( total_cap, sizeof(double), "Hdia_inv", comm );
-  workspace->b_s = (double*) scalloc( total_cap, sizeof(double), "b_s", comm );
-  workspace->b_t = (double*) scalloc( total_cap, sizeof(double), "b_t", comm );
-  workspace->b_prc = (double*) scalloc( total_cap, sizeof(double), "b_prc", comm );
-  workspace->b_prm = (double*) scalloc( total_cap, sizeof(double), "b_prm", comm );
-  workspace->s = (double*) scalloc( total_cap, sizeof(double), "s", comm );
-  workspace->t = (double*) scalloc( total_cap, sizeof(double), "t", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(double), "Hdia_inv");
+  workspace->b_s = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "b_s");
+  workspace->b_t = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "b_t");
+  workspace->b_prc = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "b_prc");
+  workspace->b_prm = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "b_prm");
+  workspace->s = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "s");
+  workspace->t = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "t");
   workspace->droptol = (double*)
-    scalloc( total_cap, sizeof(double), "droptol", comm );
-  workspace->b = (rvec2*) scalloc( total_cap, sizeof(rvec2), "b", comm );
-  workspace->x = (rvec2*) scalloc( total_cap, sizeof(rvec2), "x", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(double), "droptol");
+  workspace->b = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "b");
+  workspace->x = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "x");
 
   /* GMRES storage */
-  workspace->y = (double*) scalloc( RESTART+1, sizeof(double), "y", comm );
-  workspace->z = (double*) scalloc( RESTART+1, sizeof(double), "z", comm );
-  workspace->g = (double*) scalloc( RESTART+1, sizeof(double), "g", comm );
-  workspace->h = (double**) scalloc( RESTART+1, sizeof(double*), "h", comm );
-  workspace->hs = (double*) scalloc( RESTART+1, sizeof(double), "hs", comm );
-  workspace->hc = (double*) scalloc( RESTART+1, sizeof(double), "hc", comm );
-  workspace->v = (double**) scalloc( RESTART+1, sizeof(double*), "v", comm );
+  workspace->y = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "y");
+  workspace->z = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "z");
+  workspace->g = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "g");
+  workspace->h = (double**) scalloc(control->error_ptr,  RESTART+1, sizeof(double*), "h");
+  workspace->hs = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "hs");
+  workspace->hc = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "hc");
+  workspace->v = (double**) scalloc(control->error_ptr,  RESTART+1, sizeof(double*), "v");
 
   for( i = 0; i < RESTART+1; ++i ) {
-    workspace->h[i] = (double*) scalloc( RESTART+1, sizeof(double), "h[i]", comm );
-    workspace->v[i] = (double*) scalloc( total_cap, sizeof(double), "v[i]", comm );
+    workspace->h[i] = (double*) scalloc(control->error_ptr,  RESTART+1, sizeof(double), "h[i]");
+    workspace->v[i] = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "v[i]");
   }
 
   /* CG storage */
-  workspace->r = (double*) scalloc( total_cap, sizeof(double), "r", comm );
-  workspace->d = (double*) scalloc( total_cap, sizeof(double), "d", comm );
-  workspace->q = (double*) scalloc( total_cap, sizeof(double), "q", comm );
-  workspace->p = (double*) scalloc( total_cap, sizeof(double), "p", comm );
-  workspace->r2 = (rvec2*) scalloc( total_cap, sizeof(rvec2), "r2", comm );
-  workspace->d2 = (rvec2*) scalloc( total_cap, sizeof(rvec2), "d2", comm );
-  workspace->q2 = (rvec2*) scalloc( total_cap, sizeof(rvec2), "q2", comm );
-  workspace->p2 = (rvec2*) scalloc( total_cap, sizeof(rvec2), "p2", comm );
+  workspace->r = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "r");
+  workspace->d = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "d");
+  workspace->q = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "q");
+  workspace->p = (double*) scalloc(control->error_ptr,  total_cap, sizeof(double), "p");
+  workspace->r2 = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "r2");
+  workspace->d2 = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "d2");
+  workspace->q2 = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "q2");
+  workspace->p2 = (rvec2*) scalloc(control->error_ptr,  total_cap, sizeof(rvec2), "p2");
 
   /* integrator storage */
-  workspace->v_const = (rvec*) smalloc( local_rvec, "v_const", comm );
+  workspace->v_const = (rvec*) smalloc(control->error_ptr,  local_rvec, "v_const");
 
   /* force related storage */
-  workspace->f = (rvec*) scalloc( total_cap, sizeof(rvec), "f", comm );
+  workspace->f = (rvec*) scalloc(control->error_ptr,  total_cap, sizeof(rvec), "f");
   workspace->CdDelta = (double*)
-    scalloc( total_cap, sizeof(double), "CdDelta", comm );
+    scalloc(control->error_ptr,  total_cap, sizeof(double), "CdDelta");
 
   // storage for reductions with multiple threads
 #ifdef LMP_USER_OMP
-  workspace->CdDeltaReduction = (double *) scalloc(sizeof(double), total_cap*control->nthreads,
-                                                 "cddelta_reduce", comm);
+  workspace->CdDeltaReduction = (double *) scalloc(control->error_ptr, sizeof(double), total_cap*control->nthreads,
+                                                 "cddelta_reduce");
 
-  workspace->forceReduction = (rvec *) scalloc(sizeof(rvec), total_cap*control->nthreads,
-                                               "forceReduction", comm);
+  workspace->forceReduction = (rvec *) scalloc(control->error_ptr, sizeof(rvec), total_cap*control->nthreads,
+                                               "forceReduction");
 
-  workspace->valence_angle_atom_myoffset = (int *) scalloc(sizeof(int), total_cap, "valence_angle_atom_myoffset", comm);
+  workspace->valence_angle_atom_myoffset = (int *) scalloc(control->error_ptr, sizeof(int), total_cap, "valence_angle_atom_myoffset");
   workspace->my_ext_pressReduction = (rvec *) calloc(sizeof(rvec), control->nthreads);
 #else
   LMP_UNUSED_PARAM(control);
@@ -318,18 +320,16 @@ int Allocate_Workspace( reax_system * /*system*/, control_params * control,
 
 
 static void Reallocate_Neighbor_List( reax_list *far_nbrs, int n,
-                                      int num_intrs, MPI_Comm comm )
+                                      int num_intrs )
 {
-  Delete_List( far_nbrs, comm );
-  if(!Make_List( n, num_intrs, TYP_FAR_NEIGHBOR, far_nbrs, comm )){
-    fprintf(stderr, "Problem in initializing far nbrs list. Terminating!\n");
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+  Delete_List( far_nbrs);
+  if(!Make_List( n, num_intrs, TYP_FAR_NEIGHBOR, far_nbrs )){
+    far_nbrs->error_ptr->one(FLERR,"Problem in initializing far neighbors list");
   }
 }
 
 
-static int Reallocate_HBonds_List( reax_system *system, reax_list *hbonds,
-                                   MPI_Comm comm )
+static int Reallocate_HBonds_List( reax_system *system, reax_list *hbonds )
 {
   int i, total_hbonds;
 
@@ -343,10 +343,9 @@ static int Reallocate_HBonds_List( reax_system *system, reax_list *hbonds,
     }
   total_hbonds = (int)(MAX( total_hbonds*saferzone, mincap*MIN_HBONDS ));
 
-  Delete_List( hbonds, comm );
-  if (!Make_List( system->Hcap, total_hbonds, TYP_HBOND, hbonds, comm )) {
-    fprintf( stderr, "not enough space for hbonds list. terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+  Delete_List( hbonds);
+  if (!Make_List( system->Hcap, total_hbonds, TYP_HBOND, hbonds )) {
+    hbonds->error_ptr->one(FLERR, "Not enough space for hydrogen bonds list");
   }
 
   return total_hbonds;
@@ -354,8 +353,7 @@ static int Reallocate_HBonds_List( reax_system *system, reax_list *hbonds,
 
 
 static int Reallocate_Bonds_List( reax_system *system, reax_list *bonds,
-                                  int *total_bonds, int *est_3body,
-                                  MPI_Comm comm )
+                                  int *total_bonds, int *est_3body )
 {
   int i;
 
@@ -373,13 +371,12 @@ static int Reallocate_Bonds_List( reax_system *system, reax_list *bonds,
 #ifdef LMP_USER_OMP
   if (system->omp_active)
     for (i = 0; i < bonds->num_intrs; ++i)
-      sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
+      sfree(system->error_ptr, bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
 #endif
 
-  Delete_List( bonds, comm );
-  if(!Make_List(system->total_cap, *total_bonds, TYP_BOND, bonds, comm)) {
-    fprintf( stderr, "not enough space for bonds list. terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+  Delete_List( bonds);
+  if(!Make_List(system->total_cap, *total_bonds, TYP_BOND, bonds)) {
+    bonds->error_ptr->one(FLERR, "Not enough space for bonds list");
   }
 
 #ifdef LMP_USER_OMP
@@ -392,7 +389,7 @@ static int Reallocate_Bonds_List( reax_system *system, reax_list *bonds,
   if (system->omp_active)
     for (i = 0; i < bonds->num_intrs; ++i)
       bonds->select.bond_list[i].bo_data.CdboReduction =
-        (double*) smalloc(sizeof(double)*nthreads, "CdboReduction", comm);
+        (double*) smalloc(system->error_ptr, sizeof(double)*nthreads, "CdboReduction");
 #endif
 
   return SUCCESS;
@@ -400,14 +397,12 @@ static int Reallocate_Bonds_List( reax_system *system, reax_list *bonds,
 
 
 void ReAllocate( reax_system *system, control_params *control,
-                 simulation_data *data, storage *workspace, reax_list **lists,
-                 mpi_datatypes *mpi_data )
+                 simulation_data *data, storage *workspace, reax_list **lists )
 {
   int num_bonds, est_3body, Hflag, ret;
   int renbr, newsize;
   reallocate_data *realloc;
   reax_list *far_nbrs;
-  MPI_Comm comm;
   char msg[200];
 
   int mincap = system->mincap;
@@ -415,7 +410,6 @@ void ReAllocate( reax_system *system, control_params *control,
   double saferzone = system->saferzone;
 
   realloc = &(workspace->realloc);
-  comm = mpi_data->world;
 
   if( system->n >= DANGER_ZONE * system->local_cap ||
       (0 && system->n <= LOOSE_ZONE * system->local_cap) ) {
@@ -433,21 +427,19 @@ void ReAllocate( reax_system *system, control_params *control,
     /* system */
     ret = Allocate_System( system, system->local_cap, system->total_cap, msg );
     if (ret != SUCCESS) {
-      fprintf( stderr, "not enough space for atom_list: total_cap=%d",
-               system->total_cap );
-      fprintf( stderr, "terminating...\n" );
-      MPI_Abort( comm, INSUFFICIENT_MEMORY );
+      char errmsg[256];
+      snprintf(errmsg, 256, "Not enough space for atom_list: total_cap=%d", system->total_cap);
+      system->error_ptr->one(FLERR, errmsg);
     }
 
     /* workspace */
     DeAllocate_Workspace( control, workspace );
     ret = Allocate_Workspace( system, control, workspace, system->local_cap,
-                              system->total_cap, comm, msg );
+                              system->total_cap, msg );
     if (ret != SUCCESS) {
-      fprintf( stderr, "no space for workspace: local_cap=%d total_cap=%d",
-               system->local_cap, system->total_cap );
-      fprintf( stderr, "terminating...\n" );
-      MPI_Abort( comm, INSUFFICIENT_MEMORY );
+      char errmsg[256];
+      snprintf(errmsg, 256, "Not enough space for workspace: local_cap=%d total_cap=%d", system->local_cap, system->total_cap);
+      system->error_ptr->one(FLERR, errmsg);
     }
   }
 
@@ -459,15 +451,15 @@ void ReAllocate( reax_system *system, control_params *control,
 
     if (Nflag || realloc->num_far >= far_nbrs->num_intrs * DANGER_ZONE) {
       if (realloc->num_far > far_nbrs->num_intrs) {
-        fprintf( stderr, "step%d-ran out of space on far_nbrs: top=%d, max=%d",
-                 data->step, realloc->num_far, far_nbrs->num_intrs );
-        MPI_Abort( comm, INSUFFICIENT_MEMORY );
+        char errmsg[256];
+        snprintf(errmsg, 256, "step%d-ran out of space on far_nbrs: top=%d, max=%d", data->step, realloc->num_far, far_nbrs->num_intrs);
+        system->error_ptr->one(FLERR, errmsg);
       }
 
       newsize = static_cast<int>
         (MAX( realloc->num_far*safezone, mincap*MIN_NBRS ));
 
-      Reallocate_Neighbor_List( far_nbrs, system->total_cap, newsize, comm );
+      Reallocate_Neighbor_List( far_nbrs, system->total_cap, newsize);
       realloc->num_far = 0;
     }
   }
@@ -482,7 +474,7 @@ void ReAllocate( reax_system *system, control_params *control,
     }
 
     if (Hflag || realloc->hbonds) {
-      ret = Reallocate_HBonds_List( system, (*lists)+HBONDS, comm );
+      ret = Reallocate_HBonds_List( system, (*lists)+HBONDS);
       realloc->hbonds = 0;
     }
   }
@@ -491,14 +483,14 @@ void ReAllocate( reax_system *system, control_params *control,
   num_bonds = est_3body = -1;
   if (Nflag || realloc->bonds) {
     Reallocate_Bonds_List( system, (*lists)+BONDS, &num_bonds,
-                           &est_3body, comm );
+                           &est_3body);
     realloc->bonds = 0;
     realloc->num_3body = MAX( realloc->num_3body, est_3body ) * 2;
   }
 
   /* 3-body list */
   if (realloc->num_3body > 0) {
-    Delete_List( (*lists)+THREE_BODIES, comm );
+    Delete_List( (*lists)+THREE_BODIES);
 
     if (num_bonds == -1)
       num_bonds = ((*lists)+BONDS)->num_intrs;
@@ -506,9 +498,8 @@ void ReAllocate( reax_system *system, control_params *control,
     realloc->num_3body = (int)(MAX(realloc->num_3body*safezone, MIN_3BODIES));
 
     if( !Make_List( num_bonds, realloc->num_3body, TYP_THREE_BODY,
-                    (*lists)+THREE_BODIES, comm ) ) {
-      fprintf( stderr, "Problem in initializing angles list. Terminating!\n" );
-      MPI_Abort( comm, CANNOT_INITIALIZE );
+                    (*lists)+THREE_BODIES ) ) {
+      system->error_ptr->one(FLERR, "Problem in initializing angles list");
     }
     realloc->num_3body = -1;
   }
diff --git a/src/USER-REAXC/reaxc_allocate.h b/src/USER-REAXC/reaxc_allocate.h
index f8814859af2a71c88bf0decd0c4b71085c9affe7..be203340f61a10837f498e6c0088aa98535da155 100644
--- a/src/USER-REAXC/reaxc_allocate.h
+++ b/src/USER-REAXC/reaxc_allocate.h
@@ -28,15 +28,15 @@
 #define __ALLOCATE_H_
 
 #include "reaxc_types.h"
-int  PreAllocate_Space( reax_system*, control_params*, storage*, MPI_Comm );
+int  PreAllocate_Space( reax_system*, control_params*, storage* );
 
 int  Allocate_System( reax_system*, int, int, char* );
 void DeAllocate_System( reax_system* );
 
 int  Allocate_Workspace( reax_system*, control_params*, storage*,
-                         int, int, MPI_Comm, char* );
+                         int, int, char* );
 void DeAllocate_Workspace( control_params*, storage* );
 
 void ReAllocate( reax_system*, control_params*, simulation_data*, storage*,
-                 reax_list**, mpi_datatypes* );
+                 reax_list** );
 #endif
diff --git a/src/USER-REAXC/reaxc_control.cpp b/src/USER-REAXC/reaxc_control.cpp
index dd2b5a32adad6a6e7c0208a7f9851c1236d3bc50..535226fff8935ea1f4977f299f3ba72285d4b4be 100644
--- a/src/USER-REAXC/reaxc_control.cpp
+++ b/src/USER-REAXC/reaxc_control.cpp
@@ -28,6 +28,8 @@
 #include "reaxc_control.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 char Read_Control_File( char *control_file, control_params* control,
                         output_controls *out_control )
 {
@@ -38,8 +40,7 @@ char Read_Control_File( char *control_file, control_params* control,
 
   /* open control file */
   if ( (fp = fopen( control_file, "r" ) ) == NULL ) {
-    fprintf( stderr, "error opening the control file! terminating...\n" );
-    MPI_Abort( MPI_COMM_WORLD,  FILE_NOT_FOUND );
+    control->error_ptr->all(FLERR, "The control file cannot be opened");
   }
 
   /* assign default values */
@@ -364,8 +365,9 @@ char Read_Control_File( char *control_file, control_params* control,
       control->restrict_type = ival;
     }
     else {
-      fprintf( stderr, "WARNING: unknown parameter %s\n", tmp[0] );
-      MPI_Abort( MPI_COMM_WORLD, 15 );
+      char errmsg[128];
+      snprintf(errmsg,128,"Unknown parameter %s in the control file", tmp[0]);
+      control->error_ptr->all(FLERR, errmsg);
     }
   }
 
diff --git a/src/USER-REAXC/reaxc_ffield.cpp b/src/USER-REAXC/reaxc_ffield.cpp
index dd8f12f9d2dc0ae355d9649acb4222d73197b1bf..9534637645f0a055839339d53c4c626b5a194bbc 100644
--- a/src/USER-REAXC/reaxc_ffield.cpp
+++ b/src/USER-REAXC/reaxc_ffield.cpp
@@ -29,6 +29,7 @@
 #include "reaxc_ffield.h"
 #include "reaxc_tool_box.h"
 
+
 char Read_Force_Field( FILE *fp, reax_interaction *reax,
                        control_params *control )
 {
@@ -41,7 +42,6 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
   double     val;
   MPI_Comm comm;
   int me;
-
   comm = MPI_COMM_WORLD;
   MPI_Comm_rank(comm, &me);
 
@@ -61,7 +61,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
   n = atoi(tmp[0]);
   if (n < 1) {
     if (me == 0)
-      fprintf( stderr, "WARNING: number of globals in ffield file is 0!\n" );
+      control->error_ptr->warning( FLERR, "Number of globals in ffield file is 0. The file will not be read." );
     fclose(fp);
     free(s);
     free(tmp);
@@ -96,61 +96,52 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
 
   /* Allocating structures in reax_interaction */
   reax->sbp = (single_body_parameters*)
-    scalloc( reax->num_atom_types, sizeof(single_body_parameters), "sbp",
-             comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(single_body_parameters), "sbp");
   reax->tbp = (two_body_parameters**)
-    scalloc( reax->num_atom_types, sizeof(two_body_parameters*), "tbp", comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(two_body_parameters*), "tbp");
   reax->thbp= (three_body_header***)
-    scalloc( reax->num_atom_types, sizeof(three_body_header**), "thbp", comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(three_body_header**), "thbp");
   reax->hbp = (hbond_parameters***)
-    scalloc( reax->num_atom_types, sizeof(hbond_parameters**), "hbp", comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(hbond_parameters**), "hbp");
   reax->fbp = (four_body_header****)
-    scalloc( reax->num_atom_types, sizeof(four_body_header***), "fbp", comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(four_body_header***), "fbp");
   tor_flag  = (char****)
-    scalloc( reax->num_atom_types, sizeof(char***), "tor_flag", comm );
+    scalloc(control->error_ptr,  reax->num_atom_types, sizeof(char***), "tor_flag");
 
   for( i = 0; i < reax->num_atom_types; i++ ) {
     reax->tbp[i] = (two_body_parameters*)
-      scalloc( reax->num_atom_types, sizeof(two_body_parameters), "tbp[i]",
-               comm );
+      scalloc(control->error_ptr,  reax->num_atom_types, sizeof(two_body_parameters), "tbp[i]");
     reax->thbp[i]= (three_body_header**)
-      scalloc( reax->num_atom_types, sizeof(three_body_header*), "thbp[i]",
-               comm );
+      scalloc(control->error_ptr,  reax->num_atom_types, sizeof(three_body_header*), "thbp[i]");
     reax->hbp[i] = (hbond_parameters**)
-      scalloc( reax->num_atom_types, sizeof(hbond_parameters*), "hbp[i]",
-               comm );
+      scalloc(control->error_ptr,  reax->num_atom_types, sizeof(hbond_parameters*), "hbp[i]");
     reax->fbp[i] = (four_body_header***)
-      scalloc( reax->num_atom_types, sizeof(four_body_header**), "fbp[i]",
-               comm );
+      scalloc(control->error_ptr,  reax->num_atom_types, sizeof(four_body_header**), "fbp[i]");
     tor_flag[i]  = (char***)
-      scalloc( reax->num_atom_types, sizeof(char**), "tor_flag[i]", comm );
+      scalloc(control->error_ptr,  reax->num_atom_types, sizeof(char**), "tor_flag[i]");
 
     for( j = 0; j < reax->num_atom_types; j++ ) {
       reax->thbp[i][j]= (three_body_header*)
-        scalloc( reax->num_atom_types, sizeof(three_body_header), "thbp[i,j]",
-                 comm );
+        scalloc(control->error_ptr,  reax->num_atom_types, sizeof(three_body_header), "thbp[i,j]");
       reax->hbp[i][j] = (hbond_parameters*)
-        scalloc( reax->num_atom_types, sizeof(hbond_parameters), "hbp[i,j]",
-                 comm );
+        scalloc(control->error_ptr,  reax->num_atom_types, sizeof(hbond_parameters), "hbp[i,j]");
       reax->fbp[i][j] = (four_body_header**)
-        scalloc( reax->num_atom_types, sizeof(four_body_header*), "fbp[i,j]",
-                 comm );
+        scalloc(control->error_ptr,  reax->num_atom_types, sizeof(four_body_header*), "fbp[i,j]");
       tor_flag[i][j]  = (char**)
-        scalloc( reax->num_atom_types, sizeof(char*), "tor_flag[i,j]", comm );
+        scalloc(control->error_ptr,  reax->num_atom_types, sizeof(char*), "tor_flag[i,j]");
 
       for (k=0; k < reax->num_atom_types; k++) {
         reax->fbp[i][j][k] = (four_body_header*)
-          scalloc( reax->num_atom_types, sizeof(four_body_header), "fbp[i,j,k]",
-                   comm );
+          scalloc(control->error_ptr,  reax->num_atom_types, sizeof(four_body_header), "fbp[i,j,k]");
         tor_flag[i][j][k]  = (char*)
-          scalloc( reax->num_atom_types, sizeof(char), "tor_flag[i,j,k]",
-                   comm );
+          scalloc(control->error_ptr,  reax->num_atom_types, sizeof(char), "tor_flag[i,j,k]");
       }
     }
   }
 
   reax->gp.vdw_type = 0;
 
+  char errmsg[1024];
 
   for( i = 0; i < reax->num_atom_types; i++ ) {
     /* line one */
@@ -158,15 +149,12 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
     c = Tokenize( s, &tmp );
 
     /* Sanity checks */
-    if (c == 2 && !lgflag) {
-      if (me == 0)
-        fprintf(stderr, "Force field file requires using 'lgvdw yes'\n");
-      MPI_Abort( comm, FILE_NOT_FOUND );
-    }
+    if (c == 2 && !lgflag)
+        control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");	
+
     if (c < 9) {
-      if (me == 0)
-        fprintf(stderr, "Inconsistent ffield file (reaxc_ffield.cpp) \n");
-      MPI_Abort( comm, FILE_NOT_FOUND );
+      snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
+      control->error_ptr->all(FLERR, errmsg);
     }
 
     for( j = 0; j < (int)(strlen(tmp[0])); ++j )
@@ -188,9 +176,8 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
 
     /* Sanity check */
     if (c < 8) {
-      if (me == 0)
-        fprintf(stderr, "Inconsistent ffield file (reaxc_ffield.cpp) \n");
-      MPI_Abort( comm, FILE_NOT_FOUND );
+      snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
+      control->error_ptr->all(FLERR, errmsg);
     }
 
     val = atof(tmp[0]); reax->sbp[i].alpha      = val;
@@ -208,9 +195,8 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
 
     /* Sanity check */
     if (c < 8) {
-      if (me == 0)
-        fprintf(stderr, "Inconsistent ffield file (reaxc_ffield.cpp) \n");
-      MPI_Abort( comm, FILE_NOT_FOUND );
+      snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
+      control->error_ptr->all(FLERR, errmsg);
     }
 
     val = atof(tmp[0]); reax->sbp[i].r_pi_pi    = val;
@@ -228,9 +214,8 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
 
     /* Sanity check */
     if (c < 8) {
-      if (me == 0)
-        fprintf(stderr, "Inconsistent ffield file (reaxc_ffield.cpp) \n");
-      MPI_Abort( comm, FILE_NOT_FOUND );
+      snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
+      control->error_ptr->all(FLERR, errmsg);
     }
 
     val = atof(tmp[0]); reax->sbp[i].p_ovun2    = val;
@@ -249,9 +234,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
 
       /* Sanity check */
       if (c > 2) {
-        if (me == 0)
-          fprintf(stderr, "Force field file incompatible with 'lgvdw yes'\n");
-        MPI_Abort( comm, FILE_NOT_FOUND );
+        control->error_ptr->all(FLERR,"Force field file incompatible with 'lgvdw yes'");
       }
 
       val = atof(tmp[0]); reax->sbp[i].lgcij           = val;
@@ -261,28 +244,32 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
     if (reax->sbp[i].rcore2>0.01 && reax->sbp[i].acore2>0.01) { // Inner-wall
       if (reax->sbp[i].gamma_w>0.5) { // Shielding vdWaals
         if (reax->gp.vdw_type != 0 && reax->gp.vdw_type != 3) {
-          if (errorflag && (me == 0))
-            fprintf( stderr, "Warning: inconsistent vdWaals-parameters\n" \
-                   "Force field parameters for element %s\n"              \
-                   "indicate inner wall+shielding, but earlier\n"         \
-                   "atoms indicate different vdWaals-method.\n"           \
-                   "This may cause division-by-zero errors.\n"            \
-                   "Keeping vdWaals-setting for earlier atoms.\n",
-                   reax->sbp[i].name );
+          if (errorflag && (me == 0)) {
+            char errmsg[512];
+            snprintf(errmsg, 512, "VdWaals-parameters for element %s "
+                   "indicate inner wall+shielding, but earlier "
+                   "atoms indicate different vdWaals-method. "
+                   "This may cause division-by-zero errors. "
+                   "Keeping vdWaals-setting for earlier atoms.",
+                   reax->sbp[i].name);
+            control->error_ptr->warning(FLERR,errmsg);
+          }
           errorflag = 0;
         } else {
           reax->gp.vdw_type = 3;
         }
       } else {  // No shielding vdWaals parameters present
         if (reax->gp.vdw_type != 0 && reax->gp.vdw_type != 2) {
-          if (me == 0)
-            fprintf( stderr, "Warning: inconsistent vdWaals-parameters\n" \
-                   "Force field parameters for element %s\n"              \
-                   "indicate inner wall without shielding, but earlier\n" \
-                   "atoms indicate different vdWaals-method.\n"           \
-                   "This may cause division-by-zero errors.\n"            \
-                   "Keeping vdWaals-setting for earlier atoms.\n",
-                   reax->sbp[i].name );
+          if (me == 0) {
+            char errmsg[512];
+            snprintf(errmsg, 512, "VdWaals-parameters for element %s "
+                   "indicate inner wall without shielding, but earlier "
+                   "atoms indicate different vdWaals-method. "
+                   "This may cause division-by-zero errors. "
+                   "Keeping vdWaals-setting for earlier atoms.",
+                   reax->sbp[i].name);
+            control->error_ptr->warning(FLERR,errmsg);
+          }
         } else {
           reax->gp.vdw_type = 2;
         }
@@ -290,23 +277,25 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
     } else { // No Inner wall parameters present
       if (reax->sbp[i].gamma_w>0.5) { // Shielding vdWaals
         if (reax->gp.vdw_type != 0 && reax->gp.vdw_type != 1) {
-          if (me == 0)
-            fprintf( stderr, "Warning: inconsistent vdWaals-parameters\n"  \
-                   "Force field parameters for element %s\n"               \
-                   "indicate  shielding without inner wall, but earlier\n" \
-                   "atoms indicate different vdWaals-method.\n"            \
-                   "This may cause division-by-zero errors.\n"             \
-                   "Keeping vdWaals-setting for earlier atoms.\n",
-                   reax->sbp[i].name );
+          if (me == 0) {
+            char errmsg[512];
+            snprintf(errmsg, 512, "VdWaals parameters for element %s "
+                   "indicate shielding without inner wall, but earlier "
+                   "elements indicate different vdWaals-method. "
+                   "This may cause division-by-zero errors. "
+                   "Keeping vdWaals-setting for earlier atoms.",
+                   reax->sbp[i].name);
+            control->error_ptr->warning(FLERR,errmsg);
+          }
         } else {
           reax->gp.vdw_type = 1;
         }
       } else {
-        if (me == 0)
-          fprintf( stderr, "Error: inconsistent vdWaals-parameters\n"  \
-                 "No shielding or inner-wall set for element %s\n",
-                 reax->sbp[i].name );
-        MPI_Abort( comm, INVALID_INPUT );
+        char errmsg[256];
+        snprintf(errmsg, 256, "Inconsistent vdWaals-parameters: "
+                 "No shielding or inner-wall set for element %s",
+                 reax->sbp[i].name);
+        control->error_ptr->all(FLERR, errmsg);
       }
     }
   }
@@ -315,15 +304,23 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
   for( i = 0; i < reax->num_atom_types; i++ )
     if( reax->sbp[i].mass < 21 &&
         reax->sbp[i].valency_val != reax->sbp[i].valency_boc ) {
-      if (me == 0)
-        fprintf(stderr,"Warning: changed valency_val to valency_boc for %s\n",
-               reax->sbp[i].name );
+      if (me == 0) {
+        char errmsg[256];
+        snprintf(errmsg, 256, "Changed valency_val to valency_boc for %s",
+               reax->sbp[i].name);
+        control->error_ptr->warning(FLERR,errmsg);
+      }
       reax->sbp[i].valency_val = reax->sbp[i].valency_boc;
     }
 
   /* next line is number of two body combination and some comments */
   fgets(s,MAX_LINE,fp);
   c=Tokenize(s,&tmp);
+
+  if (c == 2 && !lgflag) {
+      control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");
+    }
+
   l = atoi(tmp[0]);
 
   /* a line of comments */
diff --git a/src/USER-REAXC/reaxc_forces.cpp b/src/USER-REAXC/reaxc_forces.cpp
index 19b3cc4975cda6708e5ac3e45ba03a5653ec828a..186cde681a3841c35b62ec2698c18e268f549dd0 100644
--- a/src/USER-REAXC/reaxc_forces.cpp
+++ b/src/USER-REAXC/reaxc_forces.cpp
@@ -39,11 +39,14 @@
 #include "reaxc_valence_angles.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
+
 interaction_function Interaction_Functions[NUM_INTRS];
 
 void Dummy_Interaction( reax_system * /*system*/, control_params * /*control*/,
                         simulation_data * /*data*/, storage * /*workspace*/,
-                        reax_list **/*lists*/, output_controls * /*out_control*/ )
+                        reax_list ** /*lists*/, output_controls * /*out_control*/ )
 {
 }
 
@@ -115,7 +118,7 @@ void Compute_Total_Force( reax_system *system, control_params *control,
 }
 
 void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **lists,
-                     int step, int /*n*/, int N, int numH, MPI_Comm comm )
+                     int step, int /*n*/, int N, int numH )
 {
   int i, comp, Hindex;
   reax_list *bonds, *hbonds;
@@ -134,9 +137,10 @@ void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **l
       else comp = bonds->num_intrs;
 
       if (End_Index(i, bonds) > comp) {
-        fprintf( stderr, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
+        char errmsg[256];
+        snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",
                  step, i, End_Index(i,bonds), comp );
-        MPI_Abort( comm, INSUFFICIENT_MEMORY );
+        system->error_ptr->one(FLERR,errmsg);
       }
     }
   }
@@ -161,9 +165,10 @@ void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **l
         else comp = hbonds->num_intrs;
 
         if (End_Index(Hindex, hbonds) > comp) {
-          fprintf(stderr,"step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",
+          char errmsg[256];
+          snprintf(errmsg, 256, "step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",
                   step, Hindex, End_Index(Hindex,hbonds), comp );
-          MPI_Abort( comm, INSUFFICIENT_MEMORY );
+          system->error_ptr->one(FLERR, errmsg);
         }
       }
     }
@@ -173,8 +178,7 @@ void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **l
 
 void Init_Forces_noQEq( reax_system *system, control_params *control,
                         simulation_data *data, storage *workspace,
-                        reax_list **lists, output_controls * /*out_control*/,
-                        MPI_Comm comm ) {
+                        reax_list **lists, output_controls * /*out_control*/ ) {
   int i, j, pj;
   int start_i, end_i;
   int type_i, type_j;
@@ -308,13 +312,13 @@ void Init_Forces_noQEq( reax_system *system, control_params *control,
   workspace->realloc.num_hbonds = num_hbonds;
 
   Validate_Lists( system, workspace, lists, data->step,
-                  system->n, system->N, system->numH, comm );
+                  system->n, system->N, system->numH);
 }
 
 
 void Estimate_Storages( reax_system *system, control_params *control,
                         reax_list **lists, int *Htop, int *hb_top,
-                        int *bond_top, int *num_3body, MPI_Comm /*comm*/ )
+                        int *bond_top, int *num_3body )
 {
   int i, j, pj;
   int start_i, end_i;
@@ -436,10 +440,9 @@ void Compute_Forces( reax_system *system, control_params *control,
                      reax_list **lists, output_controls *out_control,
                      mpi_datatypes *mpi_data )
 {
-  MPI_Comm comm = mpi_data->world;
 
   Init_Forces_noQEq( system, control, data, workspace,
-                       lists, out_control, comm );
+                       lists, out_control);
 
   /********* bonded interactions ************/
   Compute_Bonded_Forces( system, control, data, workspace,
diff --git a/src/USER-REAXC/reaxc_forces.h b/src/USER-REAXC/reaxc_forces.h
index 6c839a7023a1f794616e21549420fef5e1250dce..bfad2e9b71ec41d0bf3370b4ed824609a4237959 100644
--- a/src/USER-REAXC/reaxc_forces.h
+++ b/src/USER-REAXC/reaxc_forces.h
@@ -36,5 +36,5 @@ void Init_Force_Functions( control_params* );
 void Compute_Forces( reax_system*, control_params*, simulation_data*,
                      storage*, reax_list**, output_controls*, mpi_datatypes* );
 void Estimate_Storages( reax_system*, control_params*, reax_list**,
-                        int*, int*, int*, int*, MPI_Comm );
+                        int*, int*, int*, int* );
 #endif
diff --git a/src/USER-REAXC/reaxc_init_md.cpp b/src/USER-REAXC/reaxc_init_md.cpp
index 5901b763261191d39f35b6dd4f7b3de33a13529b..df5de49034b9e1400e72cc48e4815d8a53351ed0 100644
--- a/src/USER-REAXC/reaxc_init_md.cpp
+++ b/src/USER-REAXC/reaxc_init_md.cpp
@@ -36,6 +36,8 @@
 #include "reaxc_tool_box.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
 int Init_System( reax_system *system, control_params *control, char * /*msg*/ )
 {
   int i;
@@ -80,7 +82,7 @@ int Init_Simulation_Data( reax_system *system, control_params *control,
   return SUCCESS;
 }
 
-void Init_Taper( control_params *control,  storage *workspace, MPI_Comm comm )
+void Init_Taper( control_params *control,  storage *workspace )
 {
   double d1, d7;
   double swa, swa2, swa3;
@@ -89,15 +91,17 @@ void Init_Taper( control_params *control,  storage *workspace, MPI_Comm comm )
   swa = control->nonb_low;
   swb = control->nonb_cut;
 
-  if (fabs( swa ) > 0.01)
-    fprintf( stderr, "Warning: non-zero lower Taper-radius cutoff\n" );
+  if (fabs( swa ) > 0.01 && control->me == 0)
+    control->error_ptr->warning( FLERR, "Non-zero lower Taper-radius cutoff" );
 
   if (swb < 0) {
-    fprintf( stderr, "Negative upper Taper-radius cutoff\n" );
-    MPI_Abort( comm,  INVALID_INPUT );
+    control->error_ptr->all(FLERR,"Negative upper Taper-radius cutoff");
+  }
+  else if( swb < 5 && control->me == 0) {
+    char errmsg[256];
+    snprintf(errmsg, 256, "Very low Taper-radius cutoff: %f", swb );
+    control->error_ptr->warning( FLERR, errmsg );
   }
-  else if( swb < 5 )
-    fprintf( stderr, "Warning: very low Taper-radius cutoff: %f\n", swb );
 
   d1 = swb - swa;
   d7 = pow( d1, 7.0 );
@@ -119,12 +123,12 @@ void Init_Taper( control_params *control,  storage *workspace, MPI_Comm comm )
 
 
 int Init_Workspace( reax_system *system, control_params *control,
-                    storage *workspace, MPI_Comm comm, char *msg )
+                    storage *workspace, char *msg )
 {
   int ret;
 
   ret = Allocate_Workspace( system, control, workspace,
-                            system->local_cap, system->total_cap, comm, msg );
+                            system->local_cap, system->total_cap, msg );
   if (ret != SUCCESS)
     return ret;
 
@@ -132,7 +136,7 @@ int Init_Workspace( reax_system *system, control_params *control,
   Reset_Workspace( system, workspace );
 
   /* Initialize the Taper function */
-  Init_Taper( control, workspace, comm );
+  Init_Taper( control, workspace);
 
   return SUCCESS;
 }
@@ -152,21 +156,19 @@ int Init_MPI_Datatypes( reax_system *system, storage * /*workspace*/,
 
 int  Init_Lists( reax_system *system, control_params *control,
                  simulation_data * /*data*/, storage * /*workspace*/, reax_list **lists,
-                 mpi_datatypes *mpi_data, char * /*msg*/ )
+                 mpi_datatypes * /*mpi_data*/, char * /*msg*/ )
 {
   int i, total_hbonds, total_bonds, bond_cap, num_3body, cap_3body, Htop;
   int *hb_top, *bond_top;
-  MPI_Comm comm;
 
   int mincap = system->mincap;
   double safezone = system->safezone;
   double saferzone = system->saferzone;
 
-  comm = mpi_data->world;
   bond_top = (int*) calloc( system->total_cap, sizeof(int) );
   hb_top = (int*) calloc( system->local_cap, sizeof(int) );
   Estimate_Storages( system, control, lists,
-                     &Htop, hb_top, bond_top, &num_3body, comm );
+                     &Htop, hb_top, bond_top, &num_3body);
 
   if (control->hbond_cut > 0) {
     /* init H indexes */
@@ -178,10 +180,10 @@ int  Init_Lists( reax_system *system, control_params *control,
     total_hbonds = (int)(MAX( total_hbonds*saferzone, mincap*MIN_HBONDS ));
 
     if( !Make_List( system->Hcap, total_hbonds, TYP_HBOND,
-                    *lists+HBONDS, comm ) ) {
-      fprintf( stderr, "not enough space for hbonds list. terminating!\n" );
-      MPI_Abort( comm, INSUFFICIENT_MEMORY );
+                    *lists+HBONDS ) ) {
+      control->error_ptr->one(FLERR, "Not enough space for hbonds list.");
     }
+    (*lists+HBONDS)->error_ptr = system->error_ptr;
   }
 
   total_bonds = 0;
@@ -192,18 +194,18 @@ int  Init_Lists( reax_system *system, control_params *control,
   bond_cap = (int)(MAX( total_bonds*safezone, mincap*MIN_BONDS ));
 
   if( !Make_List( system->total_cap, bond_cap, TYP_BOND,
-                  *lists+BONDS, comm ) ) {
-    fprintf( stderr, "not enough space for bonds list. terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+                  *lists+BONDS ) ) {
+    control->error_ptr->one(FLERR, "Not enough space for bonds list.");
   }
+  (*lists+BONDS)->error_ptr = system->error_ptr;
 
   /* 3bodies list */
   cap_3body = (int)(MAX( num_3body*safezone, MIN_3BODIES ));
   if( !Make_List( bond_cap, cap_3body, TYP_THREE_BODY,
-                  *lists+THREE_BODIES, comm ) ){
-    fprintf( stderr, "Problem in initializing angles list. Terminating!\n" );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+                  *lists+THREE_BODIES ) ){
+    control->error_ptr->one(FLERR,"Problem in initializing angles list.");
   }
+  (*lists+THREE_BODIES)->error_ptr = system->error_ptr;
 
   free( hb_top );
   free( bond_top );
@@ -218,59 +220,35 @@ void Initialize( reax_system *system, control_params *control,
 {
   char msg[MAX_STR];
 
-
   if (Init_MPI_Datatypes(system, workspace, mpi_data, comm, msg) == FAILURE) {
-    fprintf( stderr, "p%d: init_mpi_datatypes: could not create datatypes\n",
-             system->my_rank );
-    fprintf( stderr, "p%d: mpi_data couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Could not create datatypes");
   }
 
   if (Init_System(system, control, msg) == FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: system could not be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"System could not be initialized");
   }
 
   if (Init_Simulation_Data( system, control, data, msg ) == FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: sim_data couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Sim_data could not be initialized");
   }
 
-  if (Init_Workspace( system, control, workspace, mpi_data->world, msg ) ==
+  if (Init_Workspace( system, control, workspace, msg ) ==
       FAILURE) {
-    fprintf( stderr, "p%d:init_workspace: not enough memory\n",
-             system->my_rank );
-    fprintf( stderr, "p%d:workspace couldn't be initialized! terminating.\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Workspace could not be initialized");
   }
 
   if (Init_Lists( system, control, data, workspace, lists, mpi_data, msg ) ==
       FAILURE) {
-      fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-      fprintf( stderr, "p%d: system could not be initialized! terminating.\n",
-               system->my_rank );
-      MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Lists could not be initialized");
     }
 
   if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) {
-    fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-    fprintf( stderr, "p%d: could not open output files! terminating...\n",
-             system->my_rank );
-    MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Could not open output files");
   }
 
   if (control->tabulate) {
     if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) {
-      fprintf( stderr, "p%d: %s\n", system->my_rank, msg );
-      fprintf( stderr, "p%d: couldn't create lookup table! terminating.\n",
-               system->my_rank );
-      MPI_Abort( mpi_data->world, CANNOT_INITIALIZE );
+    control->error_ptr->one(FLERR,"Lookup table could not be created");
     }
   }
 
diff --git a/src/USER-REAXC/reaxc_init_md.h b/src/USER-REAXC/reaxc_init_md.h
index 25333c744f29c499ed238866b2b70edf4661a746..ab519a4c7230e3496f11e0d998780d1eee715231 100644
--- a/src/USER-REAXC/reaxc_init_md.h
+++ b/src/USER-REAXC/reaxc_init_md.h
@@ -29,6 +29,7 @@
 
 #include "reaxc_types.h"
 
+
 void Initialize( reax_system*, control_params*, simulation_data*, storage*,
                  reax_list**, output_controls*, mpi_datatypes*, MPI_Comm );
 #endif
diff --git a/src/USER-REAXC/reaxc_io_tools.cpp b/src/USER-REAXC/reaxc_io_tools.cpp
index f71fcbec8ee029f880c430f887c16816967ba34b..51aa8bca0fad8f048a635e13d6531b63f62c8cf5 100644
--- a/src/USER-REAXC/reaxc_io_tools.cpp
+++ b/src/USER-REAXC/reaxc_io_tools.cpp
@@ -55,8 +55,7 @@ int Init_Output_Files( reax_system *system, control_params *control,
       sprintf( temp, "%s.pot", control->sim_name );
       if ((out_control->pot = fopen( temp, "w" )) != NULL) {
         fflush( out_control->pot );
-      }
-      else {
+      } else {
         strcpy( msg, "init_out_controls: .pot file could not be opened\n" );
         return FAILURE;
       }
@@ -74,8 +73,7 @@ int Init_Output_Files( reax_system *system, control_params *control,
                 "step", "Pint/norm[x]", "Pint/norm[y]", "Pint/norm[z]",
                 "Pext/Ptot[x]", "Pext/Ptot[y]", "Pext/Ptot[z]", "Pkin/V" );
         fflush( out_control->prs );
-      }
-      else {
+      } else {
         strcpy(msg,"init_out_controls: .prs file couldn't be opened\n");
         return FAILURE;
       }
@@ -94,13 +92,15 @@ int Close_Output_Files( reax_system *system, control_params *control,
     End_Traj( system->my_rank, out_control );
 
   if (system->my_rank == MASTER_NODE) {
-    if (out_control->energy_update_freq > 0) {
+    if (out_control->pot) {
       fclose( out_control->pot );
+      out_control->pot = NULL;
     }
 
-    if( control->ensemble == NPT || control->ensemble == iNPT ||
-        control->ensemble == sNPT )
-      fclose( out_control->prs );
+    if (out_control->prs) {
+      fclose(out_control->prs);
+      out_control->prs = NULL;
+    }
   }
 
   return SUCCESS;
@@ -124,7 +124,7 @@ void Output_Results( reax_system *system, control_params *control,
         out_control->energy_update_freq > 0 &&
         data->step % out_control->energy_update_freq == 0 ) {
 
-      if (control->virial) {
+      if (control->virial && out_control->prs) {
         fprintf( out_control->prs,
                  "%8d%13.6f%13.6f%13.6f%13.6f%13.6f%13.6f%13.6f\n",
                  data->step,
diff --git a/src/USER-REAXC/reaxc_list.cpp b/src/USER-REAXC/reaxc_list.cpp
index 8a3bb9d322c87d823800301889f34d17ca7bd891..cd4f815286341f2ed80c88b5a08121d68a0940d4 100644
--- a/src/USER-REAXC/reaxc_list.cpp
+++ b/src/USER-REAXC/reaxc_list.cpp
@@ -28,117 +28,121 @@
 #include "reaxc_list.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 /************* allocate list space ******************/
-int Make_List(int n, int num_intrs, int type, reax_list *l, MPI_Comm comm)
+int Make_List(int n, int num_intrs, int type, reax_list *l )
 {
   l->allocated = 1;
 
   l->n = n;
   l->num_intrs = num_intrs;
 
-  if (l->index) sfree(l->index, "list:index");
-  if (l->end_index) sfree(l->end_index, "list:end_index");
-  l->index = (int*) smalloc( n * sizeof(int), "list:index", comm );
-  l->end_index = (int*) smalloc( n * sizeof(int), "list:end_index", comm );
+  if (l->index) sfree(l->error_ptr, l->index, "list:index");
+  if (l->end_index) sfree(l->error_ptr, l->end_index, "list:end_index");
+  l->index = (int*) smalloc(l->error_ptr,  n * sizeof(int), "list:index");
+  l->end_index = (int*) smalloc(l->error_ptr,  n * sizeof(int), "list:end_index");
 
   l->type = type;
 
   switch(l->type) {
   case TYP_VOID:
-    if (l->select.v) sfree(l->select.v, "list:v");
-    l->select.v = (void*) smalloc(l->num_intrs * sizeof(void*), "list:v", comm);
+    if (l->select.v) sfree(l->error_ptr, l->select.v, "list:v");
+    l->select.v = (void*) smalloc(l->error_ptr, l->num_intrs * sizeof(void*), "list:v");
     break;
 
   case TYP_THREE_BODY:
-    if (l->select.three_body_list) sfree(l->select.three_body_list,"list:three_bodies");
+    if (l->select.three_body_list) sfree(l->error_ptr, l->select.three_body_list,"list:three_bodies");
     l->select.three_body_list = (three_body_interaction_data*)
-      smalloc( l->num_intrs * sizeof(three_body_interaction_data),
-               "list:three_bodies", comm );
+      smalloc(l->error_ptr,  l->num_intrs * sizeof(three_body_interaction_data),
+               "list:three_bodies");
     break;
 
   case TYP_BOND:
-    if (l->select.bond_list) sfree(l->select.bond_list,"list:bonds");
+    if (l->select.bond_list) sfree(l->error_ptr, l->select.bond_list,"list:bonds");
     l->select.bond_list = (bond_data*)
-      smalloc( l->num_intrs * sizeof(bond_data), "list:bonds", comm );
+      smalloc(l->error_ptr,  l->num_intrs * sizeof(bond_data), "list:bonds");
     break;
 
   case TYP_DBO:
-    if (l->select.dbo_list) sfree(l->select.dbo_list,"list:dbonds");
+    if (l->select.dbo_list) sfree(l->error_ptr, l->select.dbo_list,"list:dbonds");
     l->select.dbo_list = (dbond_data*)
-      smalloc( l->num_intrs * sizeof(dbond_data), "list:dbonds", comm );
+      smalloc(l->error_ptr,  l->num_intrs * sizeof(dbond_data), "list:dbonds");
     break;
 
   case TYP_DDELTA:
-    if (l->select.dDelta_list) sfree(l->select.dDelta_list,"list:dDeltas");
+    if (l->select.dDelta_list) sfree(l->error_ptr, l->select.dDelta_list,"list:dDeltas");
     l->select.dDelta_list = (dDelta_data*)
-      smalloc( l->num_intrs * sizeof(dDelta_data), "list:dDeltas", comm );
+      smalloc(l->error_ptr,  l->num_intrs * sizeof(dDelta_data), "list:dDeltas");
     break;
 
   case TYP_FAR_NEIGHBOR:
-    if (l->select.far_nbr_list) sfree(l->select.far_nbr_list,"list:far_nbrs");
+    if (l->select.far_nbr_list) sfree(l->error_ptr, l->select.far_nbr_list,"list:far_nbrs");
     l->select.far_nbr_list = (far_neighbor_data*)
-      smalloc(l->num_intrs * sizeof(far_neighbor_data), "list:far_nbrs", comm);
+      smalloc(l->error_ptr, l->num_intrs * sizeof(far_neighbor_data), "list:far_nbrs");
     break;
 
   case TYP_HBOND:
-    if (l->select.hbond_list) sfree(l->select.hbond_list,"list:hbonds");
+    if (l->select.hbond_list) sfree(l->error_ptr, l->select.hbond_list,"list:hbonds");
     l->select.hbond_list = (hbond_data*)
-      smalloc( l->num_intrs * sizeof(hbond_data), "list:hbonds", comm );
+      smalloc(l->error_ptr,  l->num_intrs * sizeof(hbond_data), "list:hbonds");
     break;
 
   default:
-    fprintf( stderr, "ERROR: no %d list type defined!\n", l->type );
-    MPI_Abort( comm, INVALID_INPUT );
+    char errmsg[128];
+    snprintf(errmsg, 128, "No %d list type defined", l->type);
+    l->error_ptr->one(FLERR,errmsg);
   }
 
   return SUCCESS;
 }
 
 
-void Delete_List( reax_list *l, MPI_Comm comm )
+void Delete_List( reax_list *l )
 {
   if (l->allocated == 0)
     return;
   l->allocated = 0;
 
-  sfree( l->index, "list:index" );
-  sfree( l->end_index, "list:end_index" );
+  sfree(l->error_ptr,  l->index, "list:index" );
+  sfree(l->error_ptr,  l->end_index, "list:end_index" );
   l->index = NULL;
   l->end_index = NULL;
 
   switch(l->type) {
   case TYP_VOID:
-    sfree( l->select.v, "list:v" );
+    sfree(l->error_ptr,  l->select.v, "list:v" );
     l->select.v = NULL;
     break;
   case TYP_HBOND:
-    sfree( l->select.hbond_list, "list:hbonds" );
+    sfree(l->error_ptr,  l->select.hbond_list, "list:hbonds" );
     l->select.hbond_list = NULL;
     break;
   case TYP_FAR_NEIGHBOR:
-    sfree( l->select.far_nbr_list, "list:far_nbrs" );
+    sfree(l->error_ptr,  l->select.far_nbr_list, "list:far_nbrs" );
     l->select.far_nbr_list = NULL;
     break;
   case TYP_BOND:
-    sfree( l->select.bond_list, "list:bonds" );
+    sfree(l->error_ptr,  l->select.bond_list, "list:bonds" );
     l->select.bond_list = NULL;
     break;
   case TYP_DBO:
-    sfree( l->select.dbo_list, "list:dbos" );
+    sfree(l->error_ptr,  l->select.dbo_list, "list:dbos" );
     l->select.dbo_list = NULL;
     break;
   case TYP_DDELTA:
-    sfree( l->select.dDelta_list, "list:dDeltas" );
+    sfree(l->error_ptr,  l->select.dDelta_list, "list:dDeltas" );
     l->select.dDelta_list = NULL;
     break;
   case TYP_THREE_BODY:
-    sfree( l->select.three_body_list, "list:three_bodies" );
+    sfree(l->error_ptr,  l->select.three_body_list, "list:three_bodies" );
     l->select.three_body_list = NULL;
     break;
 
   default:
-    fprintf( stderr, "ERROR: no %d list type defined!\n", l->type );
-    MPI_Abort( comm, INVALID_INPUT );
+    char errmsg[128];
+    snprintf(errmsg, 128, "No %d list type defined", l->type);
+    l->error_ptr->all(FLERR,errmsg);
   }
 }
 
diff --git a/src/USER-REAXC/reaxc_list.h b/src/USER-REAXC/reaxc_list.h
index ab7fbce19cad33beb18706d2074bac19d395074e..28567252da82b22fba733d91875e3a05f4ceb7db 100644
--- a/src/USER-REAXC/reaxc_list.h
+++ b/src/USER-REAXC/reaxc_list.h
@@ -29,8 +29,8 @@
 
 #include "reaxc_types.h"
 
-int  Make_List( int, int, int, reax_list*, MPI_Comm );
-void Delete_List( reax_list*, MPI_Comm );
+int  Make_List( int, int, int, reax_list* );
+void Delete_List( reax_list* );
 
 inline int  Num_Entries(int,reax_list*);
 inline int  Start_Index( int, reax_list* );
diff --git a/src/USER-REAXC/reaxc_lookup.cpp b/src/USER-REAXC/reaxc_lookup.cpp
index 92945ebdb5433d9d85de65764b6338592c541da8..8d33a33fba3a4f1b039a54d04b2b543cf2f4851a 100644
--- a/src/USER-REAXC/reaxc_lookup.cpp
+++ b/src/USER-REAXC/reaxc_lookup.cpp
@@ -29,7 +29,6 @@
 #include "reaxc_nonbonded.h"
 #include "reaxc_tool_box.h"
 
-LR_lookup_table **LR;
 
 void Tridiagonal_Solve( const double *a, const double *b,
                         double *c, double *d, double *x, unsigned int n){
@@ -50,19 +49,18 @@ void Tridiagonal_Solve( const double *a, const double *b,
 }
 
 
-void Natural_Cubic_Spline( const double *h, const double *f,
-                           cubic_spline_coef *coef, unsigned int n,
-                           MPI_Comm comm )
+void Natural_Cubic_Spline( LAMMPS_NS::Error* error_ptr, const double *h, const double *f,
+                           cubic_spline_coef *coef, unsigned int n )
 {
   int i;
   double *a, *b, *c, *d, *v;
 
   /* allocate space for the linear system */
-  a = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  b = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  c = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  d = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  v = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
+  a = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  b = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  c = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  d = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  v = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
 
   /* build the linear system */
   a[0] = a[1] = a[n-1] = 0;
@@ -92,28 +90,27 @@ void Natural_Cubic_Spline( const double *h, const double *f,
     coef[i-1].a = f[i];
   }
 
-  sfree( a, "cubic_spline:a" );
-  sfree( b, "cubic_spline:b" );
-  sfree( c, "cubic_spline:c" );
-  sfree( d, "cubic_spline:d" );
-  sfree( v, "cubic_spline:v" );
+  sfree(error_ptr,  a, "cubic_spline:a" );
+  sfree(error_ptr,  b, "cubic_spline:b" );
+  sfree(error_ptr,  c, "cubic_spline:c" );
+  sfree(error_ptr,  d, "cubic_spline:d" );
+  sfree(error_ptr,  v, "cubic_spline:v" );
 }
 
 
 
-void Complete_Cubic_Spline( const double *h, const double *f, double v0, double vlast,
-                            cubic_spline_coef *coef, unsigned int n,
-                            MPI_Comm comm )
+void Complete_Cubic_Spline( LAMMPS_NS::Error* error_ptr, const double *h, const double *f, double v0, double vlast,
+                            cubic_spline_coef *coef, unsigned int n )
 {
   int i;
   double *a, *b, *c, *d, *v;
 
   /* allocate space for the linear system */
-  a = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  b = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  c = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  d = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
-  v = (double*) smalloc( n * sizeof(double), "cubic_spline:a", comm );
+  a = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  b = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  c = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  d = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
+  v = (double*) smalloc(error_ptr,  n * sizeof(double), "cubic_spline:a");
 
   /* build the linear system */
   a[0] = 0;
@@ -142,11 +139,11 @@ void Complete_Cubic_Spline( const double *h, const double *f, double v0, double
     coef[i-1].a = f[i];
   }
 
-  sfree( a, "cubic_spline:a" );
-  sfree( b, "cubic_spline:b" );
-  sfree( c, "cubic_spline:c" );
-  sfree( d, "cubic_spline:d" );
-  sfree( v, "cubic_spline:v" );
+  sfree(error_ptr,  a, "cubic_spline:a" );
+  sfree(error_ptr,  b, "cubic_spline:b" );
+  sfree(error_ptr,  c, "cubic_spline:c" );
+  sfree(error_ptr,  d, "cubic_spline:d" );
+  sfree(error_ptr,  v, "cubic_spline:v" );
 }
 
 
@@ -159,35 +156,34 @@ int Init_Lookup_Tables( reax_system *system, control_params *control,
   double dr;
   double *h, *fh, *fvdw, *fele, *fCEvd, *fCEclmb;
   double v0_vdw, v0_ele, vlast_vdw, vlast_ele;
-  MPI_Comm comm;
+  LR_lookup_table ** & LR = system->LR;
 
   /* initializations */
   v0_vdw = 0;
   v0_ele = 0;
   vlast_vdw = 0;
   vlast_ele = 0;
-  comm = mpi_data->world;
 
   num_atom_types = system->reax_param.num_atom_types;
   dr = control->nonb_cut / control->tabulate;
   h = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:h", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:h");
   fh = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fh", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:fh");
   fvdw = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fvdw", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:fvdw");
   fCEvd = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fCEvd", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:fCEvd");
   fele = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fele", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:fele");
   fCEclmb = (double*)
-    smalloc( (control->tabulate+2) * sizeof(double), "lookup:fCEclmb", comm );
+    smalloc(system->error_ptr,  (control->tabulate+2) * sizeof(double), "lookup:fCEclmb");
 
   LR = (LR_lookup_table**)
-    scalloc( num_atom_types, sizeof(LR_lookup_table*), "lookup:LR", comm );
+    scalloc(system->error_ptr,  num_atom_types, sizeof(LR_lookup_table*), "lookup:LR");
   for( i = 0; i < num_atom_types; ++i )
     LR[i] = (LR_lookup_table*)
-      scalloc( num_atom_types, sizeof(LR_lookup_table), "lookup:LR[i]", comm );
+      scalloc(system->error_ptr,  num_atom_types, sizeof(LR_lookup_table), "lookup:LR[i]");
 
   for( i = 0; i < MAX_ATOM_TYPES; ++i )
     existing_types[i] = 0;
@@ -207,22 +203,18 @@ int Init_Lookup_Tables( reax_system *system, control_params *control,
           LR[i][j].dx = dr;
           LR[i][j].inv_dx = control->tabulate / control->nonb_cut;
           LR[i][j].y = (LR_data*)
-            smalloc( LR[i][j].n * sizeof(LR_data), "lookup:LR[i,j].y", comm );
+            smalloc(system->error_ptr,  LR[i][j].n * sizeof(LR_data), "lookup:LR[i,j].y");
           LR[i][j].H = (cubic_spline_coef*)
-            smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].H" ,
-                     comm );
+            smalloc(system->error_ptr,  LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].H");
           LR[i][j].vdW = (cubic_spline_coef*)
-            smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].vdW",
-                     comm);
+            smalloc(system->error_ptr,  LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].vdW");
           LR[i][j].CEvd = (cubic_spline_coef*)
-            smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].CEvd",
-                     comm);
+            smalloc(system->error_ptr,  LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].CEvd");
           LR[i][j].ele = (cubic_spline_coef*)
-            smalloc( LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].ele",
-                     comm );
+            smalloc(system->error_ptr,  LR[i][j].n*sizeof(cubic_spline_coef),"lookup:LR[i,j].ele");
           LR[i][j].CEclmb = (cubic_spline_coef*)
-            smalloc( LR[i][j].n*sizeof(cubic_spline_coef),
-                     "lookup:LR[i,j].CEclmb", comm );
+            smalloc(system->error_ptr,  LR[i][j].n*sizeof(cubic_spline_coef),
+                     "lookup:LR[i,j].CEclmb");
 
           for( r = 1; r <= control->tabulate; ++r ) {
             LR_vdW_Coulomb( system, workspace, control, i, j, r * dr, &(LR[i][j].y[r]) );
@@ -246,24 +238,20 @@ int Init_Lookup_Tables( reax_system *system, control_params *control,
           vlast_vdw = fCEvd[r-1];
           vlast_ele = fele[r-1];
 
-          Natural_Cubic_Spline( &h[1], &fh[1],
-                                &(LR[i][j].H[1]), control->tabulate+1, comm );
+          Natural_Cubic_Spline( control->error_ptr, &h[1], &fh[1],
+                                &(LR[i][j].H[1]), control->tabulate+1);
 
-          Complete_Cubic_Spline( &h[1], &fvdw[1], v0_vdw, vlast_vdw,
-                                 &(LR[i][j].vdW[1]), control->tabulate+1,
-                                 comm );
+          Complete_Cubic_Spline( control->error_ptr, &h[1], &fvdw[1], v0_vdw, vlast_vdw,
+                                 &(LR[i][j].vdW[1]), control->tabulate+1);
 
-          Natural_Cubic_Spline( &h[1], &fCEvd[1],
-                                &(LR[i][j].CEvd[1]), control->tabulate+1,
-                                comm );
+          Natural_Cubic_Spline( control->error_ptr, &h[1], &fCEvd[1],
+                                &(LR[i][j].CEvd[1]), control->tabulate+1);
 
-          Complete_Cubic_Spline( &h[1], &fele[1], v0_ele, vlast_ele,
-                                 &(LR[i][j].ele[1]), control->tabulate+1,
-                                 comm );
+          Complete_Cubic_Spline( control->error_ptr, &h[1], &fele[1], v0_ele, vlast_ele,
+                                 &(LR[i][j].ele[1]), control->tabulate+1);
 
-          Natural_Cubic_Spline( &h[1], &fCEclmb[1],
-                                &(LR[i][j].CEclmb[1]), control->tabulate+1,
-                                comm );
+          Natural_Cubic_Spline( control->error_ptr, &h[1], &fCEclmb[1],
+                                &(LR[i][j].CEclmb[1]), control->tabulate+1);
         } else {
           LR[i][j].n = 0;
         }
@@ -285,20 +273,21 @@ void Deallocate_Lookup_Tables( reax_system *system )
 {
   int i, j;
   int ntypes;
+  LR_lookup_table ** & LR = system->LR;
 
   ntypes = system->reax_param.num_atom_types;
 
   for( i = 0; i < ntypes; ++i ) {
     for( j = i; j < ntypes; ++j )
       if (LR[i][j].n) {
-        sfree( LR[i][j].y, "LR[i,j].y" );
-        sfree( LR[i][j].H, "LR[i,j].H" );
-        sfree( LR[i][j].vdW, "LR[i,j].vdW" );
-        sfree( LR[i][j].CEvd, "LR[i,j].CEvd" );
-        sfree( LR[i][j].ele, "LR[i,j].ele" );
-        sfree( LR[i][j].CEclmb, "LR[i,j].CEclmb" );
+        sfree(system->error_ptr,  LR[i][j].y, "LR[i,j].y" );
+        sfree(system->error_ptr,  LR[i][j].H, "LR[i,j].H" );
+        sfree(system->error_ptr,  LR[i][j].vdW, "LR[i,j].vdW" );
+        sfree(system->error_ptr,  LR[i][j].CEvd, "LR[i,j].CEvd" );
+        sfree(system->error_ptr,  LR[i][j].ele, "LR[i,j].ele" );
+        sfree(system->error_ptr,  LR[i][j].CEclmb, "LR[i,j].CEclmb" );
       }
-    sfree( LR[i], "LR[i]" );
+    sfree(system->error_ptr,  LR[i], "LR[i]" );
   }
-  sfree( LR, "LR" );
+  sfree(system->error_ptr,  LR, "LR" );
 }
diff --git a/src/USER-REAXC/reaxc_lookup.h b/src/USER-REAXC/reaxc_lookup.h
index 66fa3c407c36e9aec419590751886dda50593088..3fd0c2581a87170bd784229d23e2275039d71990 100644
--- a/src/USER-REAXC/reaxc_lookup.h
+++ b/src/USER-REAXC/reaxc_lookup.h
@@ -32,13 +32,11 @@
 void Tridiagonal_Solve( const double *a, const double *b,
                         double *c, double *d, double *x, unsigned int n);
 
-void Natural_Cubic_Spline( const double *h, const double *f,
-                           cubic_spline_coef *coef, unsigned int n,
-                           MPI_Comm comm );
+void Natural_Cubic_Spline( LAMMPS_NS::Error*, const double *h, const double *f,
+                           cubic_spline_coef *coef, unsigned int n );
 
-void Complete_Cubic_Spline( const double *h, const double *f, double v0, double vlast,
-                            cubic_spline_coef *coef, unsigned int n,
-                            MPI_Comm comm );
+void Complete_Cubic_Spline( LAMMPS_NS::Error*, const double *h, const double *f, double v0, double vlast,
+                            cubic_spline_coef *coef, unsigned int n );
 
 int Init_Lookup_Tables( reax_system*, control_params*, storage*,
                         mpi_datatypes*, char* );
diff --git a/src/USER-REAXC/reaxc_nonbonded.cpp b/src/USER-REAXC/reaxc_nonbonded.cpp
index c13bc0d89f8c2fe17cffdc21171d504c397d3575..b0fea8c1b9cb965dc36f0e8aee7a18734e832f01 100644
--- a/src/USER-REAXC/reaxc_nonbonded.cpp
+++ b/src/USER-REAXC/reaxc_nonbonded.cpp
@@ -220,6 +220,7 @@ void Tabulated_vdW_Coulomb_Energy( reax_system *system,control_params *control,
   far_neighbor_data *nbr_pj;
   reax_list *far_nbrs;
   LR_lookup_table *t;
+  LR_lookup_table ** & LR = system->LR;
 
   natoms = system->n;
   far_nbrs = (*lists) + FAR_NBRS;
diff --git a/src/USER-REAXC/reaxc_reset_tools.cpp b/src/USER-REAXC/reaxc_reset_tools.cpp
index 80faed1e9f9b19fd9fc901896912002f8c8dcc2a..e00656694c66b268162fee5f5a942766539f0a22 100644
--- a/src/USER-REAXC/reaxc_reset_tools.cpp
+++ b/src/USER-REAXC/reaxc_reset_tools.cpp
@@ -30,6 +30,9 @@
 #include "reaxc_tool_box.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
+
 void Reset_Atoms( reax_system* system, control_params *control )
 {
   int i;
@@ -120,8 +123,7 @@ void Reset_Workspace( reax_system *system, storage *workspace )
 
 
 void Reset_Neighbor_Lists( reax_system *system, control_params *control,
-                           storage *workspace, reax_list **lists,
-                           MPI_Comm comm )
+                           storage *workspace, reax_list **lists )
 {
   int i, total_bonds, Hindex, total_hbonds;
   reax_list *bonds, *hbonds;
@@ -142,10 +144,10 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
     if (total_bonds >= bonds->num_intrs * DANGER_ZONE) {
       workspace->realloc.bonds = 1;
       if (total_bonds >= bonds->num_intrs) {
-        fprintf(stderr,
-                "p%d: not enough space for bonds! total=%d allocated=%d\n",
-                system->my_rank, total_bonds, bonds->num_intrs );
-        MPI_Abort( comm, INSUFFICIENT_MEMORY );
+        char errmsg[256];
+        snprintf(errmsg, 256, "Not enough space for bonds! total=%d allocated=%d\n",
+                total_bonds, bonds->num_intrs);
+        control->error_ptr->one(FLERR, errmsg);
       }
     }
   }
@@ -168,10 +170,10 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
     if (total_hbonds >= hbonds->num_intrs * 0.90/*DANGER_ZONE*/) {
       workspace->realloc.hbonds = 1;
       if (total_hbonds >= hbonds->num_intrs) {
-        fprintf(stderr,
-                "p%d: not enough space for hbonds! total=%d allocated=%d\n",
-                system->my_rank, total_hbonds, hbonds->num_intrs );
-        MPI_Abort( comm, INSUFFICIENT_MEMORY );
+        char errmsg[256];
+        snprintf(errmsg, 256, "Not enough space for hbonds! total=%d allocated=%d\n",
+                total_hbonds, hbonds->num_intrs);
+        control->error_ptr->one(FLERR, errmsg);
       }
     }
   }
@@ -179,7 +181,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
 
 
 void Reset( reax_system *system, control_params *control, simulation_data *data,
-            storage *workspace, reax_list **lists, MPI_Comm comm )
+            storage *workspace, reax_list **lists )
 {
   Reset_Atoms( system, control );
 
@@ -187,6 +189,6 @@ void Reset( reax_system *system, control_params *control, simulation_data *data,
 
   Reset_Workspace( system, workspace );
 
-  Reset_Neighbor_Lists( system, control, workspace, lists, comm );
+  Reset_Neighbor_Lists( system, control, workspace, lists );
 
 }
diff --git a/src/USER-REAXC/reaxc_reset_tools.h b/src/USER-REAXC/reaxc_reset_tools.h
index c2a90072d54a99d130af09d725d452ac2eb20fc2..20d1ab6964488e6730e7a5f85f3e5c862dc3d1c7 100644
--- a/src/USER-REAXC/reaxc_reset_tools.h
+++ b/src/USER-REAXC/reaxc_reset_tools.h
@@ -34,7 +34,7 @@ void Reset_Simulation_Data( simulation_data*, int );
 void Reset_Timing( reax_timing* );
 void Reset_Workspace( reax_system*, storage* );
 void Reset_Neighbor_Lists( reax_system*, control_params*, storage*,
-                           reax_list**, MPI_Comm );
+                           reax_list** );
 void Reset( reax_system*, control_params*, simulation_data*, storage*,
-            reax_list**, MPI_Comm );
+            reax_list** );
 #endif
diff --git a/src/USER-REAXC/reaxc_tool_box.cpp b/src/USER-REAXC/reaxc_tool_box.cpp
index 9e662e7a458ac8ede1b6abf6cf354dd411cd047d..ffe42e37bbf668bd3069071b4704f9b746e92e5b 100644
--- a/src/USER-REAXC/reaxc_tool_box.cpp
+++ b/src/USER-REAXC/reaxc_tool_box.cpp
@@ -27,13 +27,23 @@
 #include "pair_reaxc.h"
 #include "reaxc_tool_box.h"
 
+#include "error.h"
+
 struct timeval tim;
 double t_end;
 
 double Get_Time( )
 {
+#if defined(_MSC_VER)
+  double t;
+
+  t = GetTickCount();
+  t /= 1000.0;
+  return t;
+#else
   gettimeofday(&tim, NULL );
   return( tim.tv_sec + (tim.tv_usec / 1000000.0) );
+#endif
 }
 
 int Tokenize( char* s, char*** tok )
@@ -53,23 +63,25 @@ int Tokenize( char* s, char*** tok )
   return count;
 }
 
+
+
 /* safe malloc */
-void *smalloc( rc_bigint n, const char *name, MPI_Comm comm )
+void *smalloc( LAMMPS_NS::Error *error_ptr, rc_bigint n, const char *name )
 {
   void *ptr;
+  char errmsg[256];
 
   if (n <= 0) {
-    fprintf( stderr, "WARNING: trying to allocate %ld bytes for array %s. ",
-             n, name );
-    fprintf( stderr, "returning NULL.\n" );
+    snprintf(errmsg, 256, "Trying to allocate %ld bytes for array %s. "
+              "returning NULL.", n, name);
+    error_ptr->one(FLERR,errmsg);
     return NULL;
   }
 
   ptr = malloc( n );
   if (ptr == NULL) {
-    fprintf( stderr, "ERROR: failed to allocate %ld bytes for array %s",
-             n, name );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+    snprintf(errmsg, 256, "Failed to allocate %ld bytes for array %s", n, name);
+    error_ptr->one(FLERR,errmsg);
   }
 
   return ptr;
@@ -77,29 +89,30 @@ void *smalloc( rc_bigint n, const char *name, MPI_Comm comm )
 
 
 /* safe calloc */
-void *scalloc( rc_bigint n, rc_bigint size, const char *name, MPI_Comm comm )
+void *scalloc( LAMMPS_NS::Error *error_ptr, rc_bigint n, rc_bigint size, const char *name )
 {
   void *ptr;
+  char errmsg[256];
 
   if (n <= 0) {
-    fprintf( stderr, "WARNING: trying to allocate %ld elements for array %s. ",
-             n, name );
-    fprintf( stderr, "returning NULL.\n" );
+    snprintf(errmsg, 256, "Trying to allocate %ld elements for array %s. "
+            "returning NULL.\n", n, name );
+    error_ptr->one(FLERR,errmsg);
     return NULL;
   }
 
   if (size <= 0) {
-    fprintf( stderr, "WARNING: elements size for array %s is %ld. ",
-             name, size );
-    fprintf( stderr, "returning NULL.\n" );
+    snprintf(errmsg, 256, "Elements size for array %s is %ld. "
+             "returning NULL", name, size );
+             error_ptr->one(FLERR,errmsg);
     return NULL;
   }
 
   ptr = calloc( n, size );
   if (ptr == NULL) {
-    fprintf( stderr, "ERROR: failed to allocate %ld bytes for array %s",
-             n*size, name );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+    char errmsg[256];
+    snprintf(errmsg, 256, "Failed to allocate %ld bytes for array %s", n*size, name);
+    error_ptr->one(FLERR,errmsg);
   }
 
   return ptr;
@@ -107,11 +120,12 @@ void *scalloc( rc_bigint n, rc_bigint size, const char *name, MPI_Comm comm )
 
 
 /* safe free */
-void sfree( void *ptr, const char *name )
+void sfree( LAMMPS_NS::Error* error_ptr, void *ptr, const char *name )
 {
   if (ptr == NULL) {
-    fprintf( stderr, "WARNING: trying to free the already NULL pointer %s!\n",
-             name );
+    char errmsg[256];
+    snprintf(errmsg, 256, "Trying to free the already NULL pointer %s", name );
+    error_ptr->one(FLERR,errmsg);
     return;
   }
 
diff --git a/src/USER-REAXC/reaxc_tool_box.h b/src/USER-REAXC/reaxc_tool_box.h
index 7f8dd455ca7fbb01f491668dc2b8193a85b0266f..0465376dba76af1d2c6daa87a1f78dffdbea1df1 100644
--- a/src/USER-REAXC/reaxc_tool_box.h
+++ b/src/USER-REAXC/reaxc_tool_box.h
@@ -37,7 +37,7 @@ double Get_Time( );
 int   Tokenize( char*, char*** );
 
 /* from lammps */
-void *smalloc( rc_bigint, const char*, MPI_Comm );
-void *scalloc( rc_bigint, rc_bigint, const char*, MPI_Comm );
-void sfree( void*, const char* );
+void *smalloc( LAMMPS_NS::Error*, rc_bigint, const char* );
+void *scalloc( LAMMPS_NS::Error*, rc_bigint, rc_bigint, const char* );
+void sfree( LAMMPS_NS::Error*, void*, const char* );
 #endif
diff --git a/src/USER-REAXC/reaxc_traj.cpp b/src/USER-REAXC/reaxc_traj.cpp
index 54d8b3219cdc500b08ec889ece7632dc4c790ab1..356d7b6eeb0bb3d180d70e69de145c6bf974be02 100644
--- a/src/USER-REAXC/reaxc_traj.cpp
+++ b/src/USER-REAXC/reaxc_traj.cpp
@@ -29,8 +29,9 @@
 #include "reaxc_list.h"
 #include "reaxc_tool_box.h"
 
-int Reallocate_Output_Buffer( output_controls *out_control, int req_space,
-                              MPI_Comm comm )
+#include "error.h"
+
+int Reallocate_Output_Buffer( LAMMPS_NS::Error *error_ptr, output_controls *out_control, int req_space )
 {
   if (out_control->buffer_len > 0)
     free( out_control->buffer );
@@ -38,10 +39,9 @@ int Reallocate_Output_Buffer( output_controls *out_control, int req_space,
   out_control->buffer_len = (int)(req_space*SAFE_ZONE);
   out_control->buffer = (char*) malloc(out_control->buffer_len*sizeof(char));
   if (out_control->buffer == NULL) {
-    fprintf( stderr,
-             "insufficient memory for required buffer size %d. terminating!\n",
-             (int) (req_space*SAFE_ZONE) );
-    MPI_Abort( comm, INSUFFICIENT_MEMORY );
+    char errmsg[256];
+    snprintf(errmsg, 256, "Insufficient memory for required buffer size %d", (int) (req_space*SAFE_ZONE));
+    error_ptr->one(FLERR,errmsg);
   }
 
   return SUCCESS;
@@ -58,7 +58,7 @@ void Write_Skip_Line( output_controls *out_control, mpi_datatypes * /*mpi_data*/
 
 
 int Write_Header( reax_system *system, control_params *control,
-                  output_controls *out_control, mpi_datatypes *mpi_data )
+                  output_controls *out_control, mpi_datatypes * /*mpi_data*/ )
 {
   int  num_hdr_lines, my_hdr_lines, buffer_req;
   char ensembles[ens_N][25] =  { "NVE", "NVT", "fully flexible NPT",
@@ -83,7 +83,7 @@ int Write_Header( reax_system *system, control_params *control,
   my_hdr_lines = num_hdr_lines * ( system->my_rank == MASTER_NODE );
   buffer_req = my_hdr_lines * HEADER_LINE_LEN;
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( control->error_ptr, out_control, buffer_req );
 
   /* only the master node writes into trajectory header */
   if (system->my_rank == MASTER_NODE) {
@@ -278,7 +278,7 @@ int Write_Init_Desc( reax_system *system, control_params * /*control*/,
   else buffer_req = system->n * INIT_DESC_LEN + 1;
 
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( system->error_ptr, out_control, buffer_req );
 
   out_control->line[0] = 0;
   out_control->buffer[0] = 0;
@@ -357,7 +357,7 @@ int Init_Traj( reax_system *system, control_params *control,
 
 int Write_Frame_Header( reax_system *system, control_params *control,
                         simulation_data *data, output_controls *out_control,
-                        mpi_datatypes *mpi_data )
+                        mpi_datatypes * /*mpi_data*/ )
 {
   int me, num_frm_hdr_lines, my_frm_hdr_lines, buffer_req;
 
@@ -367,7 +367,7 @@ int Write_Frame_Header( reax_system *system, control_params *control,
   my_frm_hdr_lines = num_frm_hdr_lines * ( me == MASTER_NODE );
   buffer_req = my_frm_hdr_lines * HEADER_LINE_LEN;
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( control->error_ptr, out_control, buffer_req );
 
   /* only the master node writes into trajectory header */
   if (me == MASTER_NODE) {
@@ -500,7 +500,7 @@ int Write_Atoms( reax_system *system, control_params * /*control*/,
   else buffer_req = system->n * line_len + 1;
 
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( system->error_ptr, out_control, buffer_req );
 
   /* fill in buffer */
   out_control->line[0] = 0;
@@ -531,9 +531,7 @@ int Write_Atoms( reax_system *system, control_params * /*control*/,
                p_atom->f[0], p_atom->f[1], p_atom->f[2], p_atom->q );
       break;
     default:
-      fprintf( stderr,
-               "write_traj_atoms: unknown atom trajectroy format!\n");
-      MPI_Abort( mpi_data->world, UNKNOWN_OPTION );
+      system->error_ptr->one(FLERR,"Write_traj_atoms: unknown atom trajectory format");
     }
 
     strncpy( out_control->buffer + i*line_len, out_control->line, line_len+1 );
@@ -592,7 +590,7 @@ int Write_Bonds(reax_system *system, control_params *control, reax_list *bonds,
   else buffer_req = my_bonds * line_len + 1;
 
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( system->error_ptr, out_control, buffer_req );
 
   /* fill in the buffer */
   out_control->line[0] = 0;
@@ -619,8 +617,7 @@ int Write_Bonds(reax_system *system, control_params *control, reax_list *bonds,
                    bo_ij->bo_data.BO_pi, bo_ij->bo_data.BO_pi2 );
           break;
         default:
-          fprintf(stderr, "write_traj_bonds: FATAL! invalid bond_info option");
-          MPI_Abort( mpi_data->world, UNKNOWN_OPTION );
+          system->error_ptr->one(FLERR, "Write_traj_bonds: FATAL! invalid bond_info option");
         }
         strncpy( out_control->buffer + my_bonds*line_len,
                  out_control->line, line_len+1 );
@@ -693,7 +690,7 @@ int Write_Angles( reax_system *system, control_params *control,
   else buffer_req = my_angles * line_len + 1;
 
   if (buffer_req > out_control->buffer_len * DANGER_ZONE)
-    Reallocate_Output_Buffer( out_control, buffer_req, mpi_data->world );
+    Reallocate_Output_Buffer( system->error_ptr, out_control, buffer_req );
 
   /* fill in the buffer */
   my_angles = 0;
diff --git a/src/USER-REAXC/reaxc_traj.h b/src/USER-REAXC/reaxc_traj.h
index 72c56637eb96bb339255ef9572190da08ae25bdb..4966bf11d80ffc32f963c8b7eb93965db00799dc 100644
--- a/src/USER-REAXC/reaxc_traj.h
+++ b/src/USER-REAXC/reaxc_traj.h
@@ -42,7 +42,11 @@
 #define SCI_LINE  "%-37s%-24g\n"
 #define REAL3_LINE "%-32s%9.3f,%9.3f,%9.3f\n"
 
+#if defined(LAMMPS_BIGBIG)
+#define INIT_DESC "%9ld%3d%9s%10.3f\n" //AtomID - AtomType, AtomName, AtomMass
+#else
 #define INIT_DESC "%9d%3d%9s%10.3f\n" //AtomID - AtomType, AtomName, AtomMass
+#endif
 #define INIT_DESC_LEN 32
 
 #define SIZE_INFO_LINE2 "%-10d%-10d\n"
@@ -51,21 +55,33 @@
 #define SIZE_INFO_LINE3 "%-10d%-10d%-10d\n"
 #define SIZE_INFO_LEN3 31
 
+#if defined(LAMMPS_BIGBIG)
+#define ATOM_BASIC "%9ld%10.3f%10.3f%10.3f%10.3f\n" //AtomID AtomType (X Y Z) Charge
+#define ATOM_wV    "%9ld%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Vx Vy Vz) Charge
+#define ATOM_wF    "%9ld%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Fx Fy Fz) Charge
+#define ATOM_FULL  "%9ld%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Vx Vy Vz) (Fx Fy Fz) Charge
+#else
 #define ATOM_BASIC "%9d%10.3f%10.3f%10.3f%10.3f\n" //AtomID AtomType (X Y Z) Charge
-#define ATOM_BASIC_LEN 50
 #define ATOM_wV    "%9d%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Vx Vy Vz) Charge
-#define ATOM_wV_LEN 80
 #define ATOM_wF    "%9d%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Fx Fy Fz) Charge
-#define ATOM_wF_LEN 80
 #define ATOM_FULL  "%9d%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" //AtomID (X Y Z) (Vx Vy Vz) (Fx Fy Fz) Charge
+#endif
+#define ATOM_BASIC_LEN 50
+#define ATOM_wV_LEN 80
+#define ATOM_wF_LEN 80
 #define ATOM_FULL_LEN 110
 
+#if defined(LAMMPS_BIGBIG)
+#define BOND_BASIC "%9ld%9ld%10.3f%10.3f\n" // Atom1 Atom2 Dist Total_BO
+#define BOND_FULL  "%9ld%9ld%10.3f%10.3f%10.3f%10.3f%10.3f\n" // Atom1 Atom2 Dist Total_BO BOs BOpi BOpi2
+#define ANGLE_BASIC "%9ld%9ld%9ld%10.3f\n" // Atom1 Atom2 Atom3 Theta
+#else
 #define BOND_BASIC "%9d%9d%10.3f%10.3f\n" // Atom1 Atom2 Dist Total_BO
-#define BOND_BASIC_LEN 39
 #define BOND_FULL  "%9d%9d%10.3f%10.3f%10.3f%10.3f%10.3f\n" // Atom1 Atom2 Dist Total_BO BOs BOpi BOpi2
-#define BOND_FULL_LEN 69
-
 #define ANGLE_BASIC "%9d%9d%9d%10.3f\n" // Atom1 Atom2 Atom3 Theta
+#endif
+#define BOND_BASIC_LEN 39
+#define BOND_FULL_LEN 69
 #define ANGLE_BASIC_LEN 38
 
 enum ATOM_LINE_OPTS  { OPT_NOATOM = 0, OPT_ATOM_BASIC = 4, OPT_ATOM_wF = 5, OPT_ATOM_wV = 6, OPT_ATOM_FULL = 7, NR_OPT_ATOM = 8 };
diff --git a/src/USER-REAXC/reaxc_types.h b/src/USER-REAXC/reaxc_types.h
index 2666fcf85c80290f72fdca63921479448f488549..0821c065cc55525f21d8ac9b5706f6d4581ca953 100644
--- a/src/USER-REAXC/reaxc_types.h
+++ b/src/USER-REAXC/reaxc_types.h
@@ -39,6 +39,9 @@
 #include <sys/time.h>
 #include "accelerator_kokkos.h"
 
+
+namespace LAMMPS_NS { class Error;}
+
 #if defined LMP_USER_OMP
 #define OMP_TIMING 0
 
@@ -392,8 +395,8 @@ typedef struct
   double ghost_cutoff;
 } boundary_cutoff;
 
-using LAMMPS_NS::Pair;
 
+struct _LR_lookup_table;  // forward declaration
 struct _reax_system
 {
   reax_interaction reax_param;
@@ -411,11 +414,14 @@ struct _reax_system
   boundary_cutoff  bndry_cuts;
   reax_atom       *my_atoms;
 
-  class Pair *pair_ptr;
+  class LAMMPS_NS::Error *error_ptr;
+  class LAMMPS_NS::Pair *pair_ptr;
   int my_bonds;
   int mincap;
   double safezone, saferzone;
 
+  _LR_lookup_table **LR;
+
   int omp_active;
 };
 typedef _reax_system reax_system;
@@ -488,6 +494,8 @@ typedef struct
 
   int lgflag;
   int enobondsflag;
+  class LAMMPS_NS::Error *error_ptr;
+  int me;
 
 } control_params;
 
@@ -774,6 +782,7 @@ struct _reax_list
 
   int type;
   list_type select;
+  class LAMMPS_NS::Error     *error_ptr;
 };
 typedef _reax_list  reax_list;
 
@@ -878,7 +887,7 @@ struct cubic_spline_coef
 
 
 
-typedef struct
+typedef struct _LR_lookup_table
 {
   double xmin, xmax;
   int n;
@@ -892,7 +901,6 @@ typedef struct
   cubic_spline_coef *vdW, *CEvd;
   cubic_spline_coef *ele, *CEclmb;
 } LR_lookup_table;
-extern LR_lookup_table **LR;
 
 /* function pointer defs */
 typedef void (*evolve_function)(reax_system*, control_params*,
diff --git a/src/USER-REAXC/reaxc_valence_angles.cpp b/src/USER-REAXC/reaxc_valence_angles.cpp
index af1f1f800321877fbddb0e0111472536d37a1583..4ba870b6d9140abc7d3b84ae95edf9e94bba2f3e 100644
--- a/src/USER-REAXC/reaxc_valence_angles.cpp
+++ b/src/USER-REAXC/reaxc_valence_angles.cpp
@@ -30,6 +30,8 @@
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include "error.h"
+
 static double Dot( double* v1, double* v2, int k )
 {
   double ret = 0.0;
@@ -405,9 +407,10 @@ void Valence_Angles( reax_system *system, control_params *control,
   if (num_thb_intrs >= thb_intrs->num_intrs * DANGER_ZONE) {
     workspace->realloc.num_3body = num_thb_intrs;
     if (num_thb_intrs > thb_intrs->num_intrs) {
-      fprintf( stderr, "step%d-ran out of space on angle_list: top=%d, max=%d",
-               data->step, num_thb_intrs, thb_intrs->num_intrs );
-      MPI_Abort( MPI_COMM_WORLD, INSUFFICIENT_MEMORY );
+      char errmsg[128];
+      snprintf(errmsg, 128, "step%d-ran out of space on angle_list: top=%d, max=%d",
+               data->step, num_thb_intrs, thb_intrs->num_intrs);
+      control->error_ptr->one(FLERR, errmsg);
     }
   }
 
diff --git a/src/USER-SCAFACOS/scafacos.cpp b/src/USER-SCAFACOS/scafacos.cpp
index 4b8e10123cf5f24c81f3901894ff0e0609990439..497442fbe8f53c11a7b72f645cd6d69b6905692f 100644
--- a/src/USER-SCAFACOS/scafacos.cpp
+++ b/src/USER-SCAFACOS/scafacos.cpp
@@ -197,12 +197,7 @@ void Scafacos::compute(int eflag, int vflag)
       fcs_set_redistribute((FCS)fcs,0);
   }
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else
-  {
-    eflag_atom = 0;
-    vflag_global = 0;
-  }
+  ev_init(eflag,vflag);
 
   // grow xpbc, epot, efield if necessary
 
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index 7cfc950eff072e21956554bcd29bcb6adaffbf65..db80debe51b863da4fc15625c4a510427a13d0e1 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -71,8 +71,7 @@ void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
   double rsq, tmp, wfd, delVdotDelR;
   double prefactor, wiener[3][3], f_random[3];
 
-  if (eflag || vflag) ev_setup (eflag, vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **v = atom->vest;
   double **x = atom->x;
diff --git a/src/USER-SMD/pair_smd_hertz.cpp b/src/USER-SMD/pair_smd_hertz.cpp
index 13f48e995eb73e3fa39cfe96b43f9bdf34489d90..541be9f05cb16c8c7134c1f84221e6e8729ea29b 100644
--- a/src/USER-SMD/pair_smd_hertz.cpp
+++ b/src/USER-SMD/pair_smd_hertz.cpp
@@ -87,10 +87,7 @@ void PairHertz::compute(int eflag, int vflag) {
         double *rmass = atom->rmass;
 
         evdwl = 0.0;
-        if (eflag || vflag)
-                ev_setup(eflag, vflag);
-        else
-                evflag = vflag_fdotr = 0;
+        ev_init(eflag, vflag);
 
         double **f = atom->f;
         double **x = atom->x;
diff --git a/src/USER-SMD/pair_smd_tlsph.cpp b/src/USER-SMD/pair_smd_tlsph.cpp
index ab6b7d2785dd62d3632552f5a4dba6f469196165..1d7bbca780bbd0a104458d2f697b5f7c17a26b6d 100644
--- a/src/USER-SMD/pair_smd_tlsph.cpp
+++ b/src/USER-SMD/pair_smd_tlsph.cpp
@@ -308,7 +308,7 @@ void PairTlsph::PreCompute() {
                          */
 
                         if ((detF[i] < DETF_MIN) || (detF[i] > DETF_MAX) || (numNeighsRefConfig[i] == 0)) {
-                                printf("deleting particle [%d] because det(F)=%f is outside stable range %f -- %f \n", tag[i],
+                                printf("deleting particle [" TAGINT_FORMAT "] because det(F)=%f is outside stable range %f -- %f \n", tag[i],
                                                 Fincr[i].determinant(),
                                                 DETF_MIN, DETF_MAX);
                                 printf("nn = %d, damage=%f\n", numNeighsRefConfig[i], damage[i]);
@@ -448,10 +448,7 @@ void PairTlsph::ComputeForces(int eflag, int vflag) {
         Matrix3d eye;
         eye.setIdentity();
 
-        if (eflag || vflag)
-                ev_setup(eflag, vflag);
-        else
-                evflag = vflag_fdotr = 0;
+        ev_init(eflag, vflag);
 
         /*
          * iterate over pairs of particles i, j and assign forces using PK1 stress tensor
diff --git a/src/USER-SMD/pair_smd_triangulated_surface.cpp b/src/USER-SMD/pair_smd_triangulated_surface.cpp
index e40c876ec3de098739dbdb56ef5b07786c725fba..d3a498337950f1c354ee1042c2c6373a761f3bca 100644
--- a/src/USER-SMD/pair_smd_triangulated_surface.cpp
+++ b/src/USER-SMD/pair_smd_triangulated_surface.cpp
@@ -96,10 +96,7 @@ void PairTriSurf::compute(int eflag, int vflag) {
         Vector2d w2d, rhs;
 
         evdwl = 0.0;
-        if (eflag || vflag)
-                ev_setup(eflag, vflag);
-        else
-                evflag = vflag_fdotr = 0;
+        ev_init(eflag, vflag);
 
         tagint *mol = atom->molecule;
         double **f = atom->f;
diff --git a/src/USER-SMD/pair_smd_ulsph.cpp b/src/USER-SMD/pair_smd_ulsph.cpp
index 50af6e2356e7a14233b8865bec031029259d1d38..2c4a2de989a1511054b2335d6ed47332e162d45d 100644
--- a/src/USER-SMD/pair_smd_ulsph.cpp
+++ b/src/USER-SMD/pair_smd_ulsph.cpp
@@ -386,10 +386,7 @@ void PairULSPH::compute(int eflag, int vflag) {
         int k;
         SelfAdjointEigenSolver < Matrix3d > es;
 
-        if (eflag || vflag)
-                ev_setup(eflag, vflag);
-        else
-                evflag = vflag_fdotr = 0;
+        ev_init(eflag, vflag);
 
         if (atom->nmax > nmax) {
 //printf("... allocating in compute with nmax = %d\n", atom->nmax);
diff --git a/src/USER-SMD/smd_material_models.h b/src/USER-SMD/smd_material_models.h
index acb498c04d65afe130b0b4b1de467482799feb13..557612bdf5265e6e4541d7ccae9e31ea0bbac629 100644
--- a/src/USER-SMD/smd_material_models.h
+++ b/src/USER-SMD/smd_material_models.h
@@ -22,10 +22,10 @@
  See the README file in the top-level LAMMPS directory.
  ------------------------------------------------------------------------- */
 
-#ifndef SMD_MATERIAL_MODELS_H_
-#define SMD_MATERIAL_MODELS_H_
+#ifndef SMD_MATERIAL_MODELS_H
+#define SMD_MATERIAL_MODELS_H
 
-using namespace Eigen;
+#include <Eigen/Eigen>
 
 /*
  * EOS models
@@ -42,22 +42,22 @@ void PerfectGasEOS(const double gamma, const double vol, const double mass, cons
 /*
  * Material strength models
  */
-void LinearStrength(const double mu, const Matrix3d sigmaInitial_dev, const Matrix3d d_dev, const double dt,
-                Matrix3d &sigmaFinal_dev__, Matrix3d &sigma_dev_rate__);
-void LinearPlasticStrength(const double G, const double yieldStress, const Matrix3d sigmaInitial_dev, const Matrix3d d_dev,
-                const double dt, Matrix3d &sigmaFinal_dev__, Matrix3d &sigma_dev_rate__, double &plastic_strain_increment);
+void LinearStrength(const double mu, const Eigen::Matrix3d sigmaInitial_dev, const Eigen::Matrix3d d_dev, const double dt,
+                Eigen::Matrix3d &sigmaFinal_dev__, Eigen::Matrix3d &sigma_dev_rate__);
+void LinearPlasticStrength(const double G, const double yieldStress, const Eigen::Matrix3d sigmaInitial_dev, const Eigen::Matrix3d d_dev,
+                const double dt, Eigen::Matrix3d &sigmaFinal_dev__, Eigen::Matrix3d &sigma_dev_rate__, double &plastic_strain_increment);
 void JohnsonCookStrength(const double G, const double cp, const double espec, const double A, const double B, const double a,
                 const double C, const double epdot0, const double T0, const double Tmelt, const double M, const double dt, const double ep,
-                const double epdot, const Matrix3d sigmaInitial_dev, const Matrix3d d_dev, Matrix3d &sigmaFinal_dev__,
-                Matrix3d &sigma_dev_rate__, double &plastic_strain_increment);
+                const double epdot, const Eigen::Matrix3d sigmaInitial_dev, const Eigen::Matrix3d d_dev, Eigen::Matrix3d &sigmaFinal_dev__,
+                Eigen::Matrix3d &sigma_dev_rate__, double &plastic_strain_increment);
 
 /*
  * Damage models
  */
 
-bool IsotropicMaxStrainDamage(const Matrix3d E, const double maxStrain);
-bool IsotropicMaxStressDamage(const Matrix3d E, const double maxStrain);
-double JohnsonCookFailureStrain(const double p, const Matrix3d Sdev, const double d1, const double d2, const double d3,
+bool IsotropicMaxStrainDamage(const Eigen::Matrix3d E, const double maxStrain);
+bool IsotropicMaxStressDamage(const Eigen::Matrix3d E, const double maxStrain);
+double JohnsonCookFailureStrain(const double p, const Eigen::Matrix3d Sdev, const double d1, const double d2, const double d3,
                 const double d4, const double epdot0, const double epdot);
 
 
diff --git a/src/USER-SMD/smd_math.h b/src/USER-SMD/smd_math.h
index cea9e9dbc71430713b72a530c6daaebfc0fa2c66..52e7c983d517fb7ec14a73ef672382c4f6d79cc6 100644
--- a/src/USER-SMD/smd_math.h
+++ b/src/USER-SMD/smd_math.h
@@ -9,14 +9,11 @@
  *
  * ----------------------------------------------------------------------- */
 
-//test
-#ifndef SMD_MATH_H_
-#define SMD_MATH_H_
+#ifndef SMD_MATH_H
+#define SMD_MATH_H
 
 #include <Eigen/Eigen>
 #include <iostream>
-using namespace Eigen;
-using namespace std;
 
 namespace SMD_Math {
 static inline void LimitDoubleMagnitude(double &x, const double limit) {
@@ -31,8 +28,8 @@ static inline void LimitDoubleMagnitude(double &x, const double limit) {
 /*
  * deviator of a tensor
  */
-static inline Matrix3d Deviator(const Matrix3d M) {
-        Matrix3d eye;
+static inline Eigen::Matrix3d Deviator(const Eigen::Matrix3d M) {
+        Eigen::Matrix3d eye;
         eye.setIdentity();
         eye *= M.trace() / 3.0;
         return M - eye;
@@ -53,14 +50,14 @@ static inline Matrix3d Deviator(const Matrix3d M) {
  * obtained again from an SVD. The rotation should proper now, i.e., det(R) = +1.
  */
 
-static inline bool PolDec(Matrix3d M, Matrix3d &R, Matrix3d &T, bool scaleF) {
+static inline bool PolDec(Eigen::Matrix3d M, Eigen::Matrix3d &R, Eigen::Matrix3d &T, bool scaleF) {
 
-        JacobiSVD<Matrix3d> svd(M, ComputeFullU | ComputeFullV); // SVD(A) = U S V*
-        Vector3d S_eigenvalues = svd.singularValues();
-        Matrix3d S = svd.singularValues().asDiagonal();
-        Matrix3d U = svd.matrixU();
-        Matrix3d V = svd.matrixV();
-        Matrix3d eye;
+        Eigen::JacobiSVD<Eigen::Matrix3d> svd(M, Eigen::ComputeFullU | Eigen::ComputeFullV); // SVD(A) = U S V*
+        Eigen::Vector3d S_eigenvalues = svd.singularValues();
+        Eigen::Matrix3d S = svd.singularValues().asDiagonal();
+        Eigen::Matrix3d U = svd.matrixU();
+        Eigen::Matrix3d V = svd.matrixV();
+        Eigen::Matrix3d eye;
         eye.setIdentity();
 
         // now do polar decomposition into M = R * T, where R is rotation
@@ -105,16 +102,12 @@ static inline bool PolDec(Matrix3d M, Matrix3d &R, Matrix3d &T, bool scaleF) {
  * Pseudo-inverse via SVD
  */
 
-static inline void pseudo_inverse_SVD(Matrix3d &M) {
+static inline void pseudo_inverse_SVD(Eigen::Matrix3d &M) {
 
-        //JacobiSVD < Matrix3d > svd(M, ComputeFullU | ComputeFullV);
-        JacobiSVD<Matrix3d> svd(M, ComputeFullU); // one Eigevector base is sufficient because matrix is square and symmetric
+        Eigen::JacobiSVD<Eigen::Matrix3d> svd(M, Eigen::ComputeFullU); // one Eigevector base is sufficient because matrix is square and symmetric
 
-        Vector3d singularValuesInv;
-        Vector3d singularValues = svd.singularValues();
-
-//cout << "Here is the matrix V:" << endl << V * singularValues.asDiagonal() * U << endl;
-//cout << "Its singular values are:" << endl << singularValues << endl;
+        Eigen::Vector3d singularValuesInv;
+        Eigen::Vector3d singularValues = svd.singularValues();
 
         double pinvtoler = 1.0e-16; // 2d machining example goes unstable if this value is increased (1.0e-16).
         for (int row = 0; row < 3; row++) {
@@ -126,39 +119,19 @@ static inline void pseudo_inverse_SVD(Matrix3d &M) {
         }
 
         M = svd.matrixU() * singularValuesInv.asDiagonal() * svd.matrixU().transpose();
-
-//      JacobiSVD < Matrix3d > svd(M, ComputeFullU | ComputeFullV);
-//
-//      Vector3d singularValuesInv;
-//      Vector3d singularValues = svd.singularValues();
-//
-//      //cout << "Here is the matrix V:" << endl << V * singularValues.asDiagonal() * U << endl;
-//      //cout << "Its singular values are:" << endl << singularValues << endl;
-//
-//      double pinvtoler = 1.0e-16; // 2d machining example goes unstable if this value is increased (1.0e-16).
-//      for (int row = 0; row < 3; row++) {
-//              if (singularValues(row) > pinvtoler) {
-//                      singularValuesInv(row) = 1.0 / singularValues(row);
-//              } else {
-//                      singularValuesInv(row) = 0.0;
-//              }
-//      }
-//
-//      M = svd.matrixU() * singularValuesInv.asDiagonal() * svd.matrixV().transpose();
-
 }
 
 /*
  * test if two matrices are equal
  */
-static inline double TestMatricesEqual(Matrix3d A, Matrix3d B, double eps) {
-        Matrix3d diff;
+static inline double TestMatricesEqual(Eigen::Matrix3d A, Eigen::Matrix3d B, double eps) {
+        Eigen::Matrix3d diff;
         diff = A - B;
         double norm = diff.norm();
         if (norm > eps) {
-                printf("Matrices A and B are not equal! The L2-norm difference is: %g\n", norm);
-                cout << "Here is matrix A:" << endl << A << endl;
-                cout << "Here is matrix B:" << endl << B << endl;
+                std::cout << "Matrices A and B are not equal! The L2-norm difference is: " << norm << "\n"
+                          << "Here is matrix A:\n" << A << "\n"
+                          << "Here is matrix B:\n" << B << std::endl;
         }
         return norm;
 }
@@ -167,12 +140,12 @@ static inline double TestMatricesEqual(Matrix3d A, Matrix3d B, double eps) {
  Limit eigenvalues of a matrix to upper and lower bounds.
  ------------------------------------------------------------------------- */
 
-static inline Matrix3d LimitEigenvalues(Matrix3d S, double limitEigenvalue) {
+static inline Eigen::Matrix3d LimitEigenvalues(Eigen::Matrix3d S, double limitEigenvalue) {
 
         /*
          * compute Eigenvalues of matrix S
          */
-        SelfAdjointEigenSolver < Matrix3d > es;
+        Eigen::SelfAdjointEigenSolver < Eigen::Matrix3d > es;
         es.compute(S);
 
         double max_eigenvalue = es.eigenvalues().maxCoeff();
@@ -183,17 +156,17 @@ static inline Matrix3d LimitEigenvalues(Matrix3d S, double limitEigenvalue) {
         if ((amax_eigenvalue > limitEigenvalue) || (amin_eigenvalue > limitEigenvalue)) {
                 if (amax_eigenvalue > amin_eigenvalue) { // need to scale with max_eigenvalue
                         double scale = amax_eigenvalue / limitEigenvalue;
-                        Matrix3d V = es.eigenvectors();
-                        Matrix3d S_diag = V.inverse() * S * V; // diagonalized input matrix
+                        Eigen::Matrix3d V = es.eigenvectors();
+                        Eigen::Matrix3d S_diag = V.inverse() * S * V; // diagonalized input matrix
                         S_diag /= scale;
-                        Matrix3d S_scaled = V * S_diag * V.inverse(); // undiagonalize matrix
+                        Eigen::Matrix3d S_scaled = V * S_diag * V.inverse(); // undiagonalize matrix
                         return S_scaled;
                 } else { // need to scale using min_eigenvalue
                         double scale = amin_eigenvalue / limitEigenvalue;
-                        Matrix3d V = es.eigenvectors();
-                        Matrix3d S_diag = V.inverse() * S * V; // diagonalized input matrix
+                        Eigen::Matrix3d V = es.eigenvectors();
+                        Eigen::Matrix3d S_diag = V.inverse() * S * V; // diagonalized input matrix
                         S_diag /= scale;
-                        Matrix3d S_scaled = V * S_diag * V.inverse(); // undiagonalize matrix
+                        Eigen::Matrix3d S_scaled = V * S_diag * V.inverse(); // undiagonalize matrix
                         return S_scaled;
                 }
         } else { // limiting does not apply
@@ -201,17 +174,17 @@ static inline Matrix3d LimitEigenvalues(Matrix3d S, double limitEigenvalue) {
         }
 }
 
-static inline bool LimitMinMaxEigenvalues(Matrix3d &S, double min, double max) {
+static inline bool LimitMinMaxEigenvalues(Eigen::Matrix3d &S, double min, double max) {
 
         /*
          * compute Eigenvalues of matrix S
          */
-        SelfAdjointEigenSolver < Matrix3d > es;
+        Eigen::SelfAdjointEigenSolver < Eigen::Matrix3d > es;
         es.compute(S);
 
         if ((es.eigenvalues().maxCoeff() > max) || (es.eigenvalues().minCoeff() < min)) {
-                Matrix3d S_diag = es.eigenvalues().asDiagonal();
-                Matrix3d V = es.eigenvectors();
+                Eigen::Matrix3d S_diag = es.eigenvalues().asDiagonal();
+                Eigen::Matrix3d V = es.eigenvectors();
                 for (int i = 0; i < 3; i++) {
                         if (S_diag(i, i) < min) {
                                 //printf("limiting eigenvalue %f --> %f\n", S_diag(i, i), min);
@@ -229,10 +202,10 @@ static inline bool LimitMinMaxEigenvalues(Matrix3d &S, double min, double max) {
         }
 }
 
-static inline void reconstruct_rank_deficient_shape_matrix(Matrix3d &K) {
+static inline void reconstruct_rank_deficient_shape_matrix(Eigen::Matrix3d &K) {
 
-        JacobiSVD<Matrix3d> svd(K, ComputeFullU | ComputeFullV);
-        Vector3d singularValues = svd.singularValues();
+        Eigen::JacobiSVD<Eigen::Matrix3d> svd(K, Eigen::ComputeFullU | Eigen::ComputeFullV);
+        Eigen::Vector3d singularValues = svd.singularValues();
 
         for (int i = 0; i < 3; i++) {
                 if (singularValues(i) < 1.0e-8) {
diff --git a/src/USER-SMTBQ/README b/src/USER-SMTBQ/README
index 74b621eef18481111c32c318523faeea1ee627cb..e778c65be2488e3585d99aec80ff2052a416c919 100644
--- a/src/USER-SMTBQ/README
+++ b/src/USER-SMTBQ/README
@@ -2,9 +2,11 @@ This package implements the Second Moment Tight Binding - QEq (SMTB-Q)
 potential for the description of ionocovalent bonds in oxides.
 
 Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot
-at LAAS-CNRS in France.
+at ICB, Universite de Bourgogne and ICMMO, Universite Paris-Sud.
 
-Contact emails:  lammps@u-bourgogne.fr, nsalles@laas.fr
+Contact emails:  lammps@u-bourgogne.fr, nsalles33@gmail.com
+
+This package is occasionally maintained.
 
 See the doc page for the pair_style smtbq command to get started.
 
diff --git a/src/USER-SMTBQ/pair_smtbq.cpp b/src/USER-SMTBQ/pair_smtbq.cpp
index c2690dc864b49ff1106b801db9836a2b74d2d2f3..ba7f8eb88c345ec5c9add0de10a88e00d172a413 100644
--- a/src/USER-SMTBQ/pair_smtbq.cpp
+++ b/src/USER-SMTBQ/pair_smtbq.cpp
@@ -42,6 +42,7 @@
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
+#include <vector>
 #include "pair_smtbq.h"
 #include "atom.h"
 #include "comm.h"
@@ -122,7 +123,6 @@ PairSMTBQ::PairSMTBQ(LAMMPS *lmp) : Pair(lmp)
   sbcov = NULL;
   coord = NULL;
   sbmet = NULL;
-  chimet = NULL;
   ecov = NULL;
 
   potmad = NULL;
@@ -187,6 +187,16 @@ PairSMTBQ::~PairSMTBQ()
   memory->destroy(potqn);
   memory->destroy(dpotqn);
 
+  memory->destroy(fafbOxOxSurf);
+  memory->destroy(dfafbOxOxSurf);
+  memory->destroy(fafbTiOxSurf);
+  memory->destroy(dfafbTiOxSurf);
+
+  memory->destroy(fafbOxOxBB);
+  memory->destroy(dfafbOxOxBB);
+  memory->destroy(fafbTiOxBB);
+  memory->destroy(dfafbTiOxBB);
+
   memory->destroy(ecov);
   memory->destroy(sbcov);
   memory->destroy(coord);
@@ -199,7 +209,6 @@ PairSMTBQ::~PairSMTBQ()
   memory->destroy(potmad);
   memory->destroy(potself);
   memory->destroy(potcov);
-  memory->destroy(chimet);
 
   memory->destroy(nvsm);
   memory->destroy(vsm);;
@@ -242,7 +251,7 @@ void PairSMTBQ::allocate()
    global settings
    ------------------------------------------------------------------------- */
 
-void PairSMTBQ::settings(int narg, char **/*arg*/)
+void PairSMTBQ::settings(int narg, char ** /* arg */)
 {
   if (narg > 0) error->all(FLERR,"Illegal pair_style command");
 }
@@ -394,7 +403,13 @@ void PairSMTBQ::read_file(char *file)
   verbose = 1;
   verbose = 0;
 
-  // open file on all processors
+  coordOxBB = 0.0;
+  coordOxBulk = 0.0;
+  coordOxSurf = 0.0;
+  ROxBB = 0.0;
+  ROxSurf = 0.0;
+
+      // open file on all processors
   FILE *fp;
   fp = force->open_potential(file);
   if ( fp  == NULL ) {
@@ -444,14 +459,12 @@ void PairSMTBQ::read_file(char *file)
 
   // load up parameter settings and error check their values
 
-  if (nparams == maxparam) {
-    maxparam += DELTA;
-    params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
+  nparams = maxparam = num_atom_types;
+  params = (Param *) memory->create(params,maxparam*sizeof(Param),
                                         "pair:params");
-    maxintparam += m;
-    intparams = (Intparam *) memory->srealloc(intparams,(maxintparam+1)*sizeof(Intparam),
+  maxintparam = m;
+  intparams = (Intparam *) memory->create(intparams,(maxintparam+1)*sizeof(Intparam),
                                               "pair:intparams");
-  }
 
   for (i=0; i < num_atom_types; i++)
     params[i].nom = (char*) malloc(sizeof(char)*3);
@@ -828,7 +841,8 @@ void PairSMTBQ::read_file(char *file)
   }
 
   //A adapter au STO
-  ncov = min((params[0].sto)*(params[0].n0),(params[1].sto)*(params[1].n0));
+  for (i=1,ncov=params[0].sto*params[0].n0; i < nparams; ++i)
+    ncov = min(ncov,(params[1].sto)*(params[1].n0));
 
   if (verbose) printf (" Parametre ncov = %f\n",ncov);
   if (verbose) printf (" ********************************************* \n");
@@ -859,7 +873,6 @@ void PairSMTBQ::compute(int eflag, int vflag)
     memory->destroy(sbcov);
     memory->destroy(coord);
     memory->destroy(sbmet);
-    memory->destroy(chimet);
     memory->destroy(flag_QEq);
     memory->destroy(qf);
     memory->destroy(q1);
@@ -875,7 +888,6 @@ void PairSMTBQ::compute(int eflag, int vflag)
     memory->create(sbcov,nmax,"pair:sbcov");
     memory->create(coord,nmax,"pair:coord");
     memory->create(sbmet,nmax,"pair:sbmet");
-    memory->create(chimet,nmax,"pair:chimet");
     memory->create(flag_QEq,nmax,"pair:flag_QEq");
     memory->create(qf,nmax,"pair:qf");
     memory->create(q1,nmax,"pair:q1");
@@ -887,8 +899,7 @@ void PairSMTBQ::compute(int eflag, int vflag)
   evdwl = ecoul = ecovtot = ErepOO = ErepMO = Eion = 0.0;
   Eself = 0.0;
 
-  if (eflag || vflag) { ev_setup(eflag,vflag); }
-  else { evflag = vflag_fdotr = vflag_atom = 0; }
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -1312,10 +1323,7 @@ void PairSMTBQ::tabqeq()
   memory->create(sbcov,nmax,"pair:sbcov");
   memory->create(coord,nmax,"pair:coord");
   memory->create(sbmet,nmax,"pair:sbmet");
-  memory->create(chimet,nmax,"pair:chimet");
 
-  //  memory->create(nvsm,nmax,"pair:nvsm");
-  //  memory->create(vsm,nmax,nmax,"pair:vsm");
   memory->create(flag_QEq,nmax,"pair:flag_QEq");
 
   memory->create(qf,nmax,"pair:qf");
@@ -2529,10 +2537,10 @@ void PairSMTBQ::Charge()
   // ---------------------------
 
 
-  double enegtotall[nteam+1],enegchkall[nteam+1],enegmaxall[nteam+1],qtota[nteam+1],qtotc[nteam+1];
-  double qtotcll[nteam+1],qtotall[nteam+1];
-  double sigmaa[nteam+1],sigmac[nteam+1],sigmaall[nteam+1],sigmacll[nteam+1];
-  int end[nteam+1], nQEq[nteam+1],nQEqc[nteam+1],nQEqa[nteam+1];
+  std::vector<double> enegtotall(nteam+1),enegchkall(nteam+1),enegmaxall(nteam+1);
+  std::vector<double> qtotcll(nteam+1),qtotall(nteam+1),qtota(nteam+1),qtotc(nteam+1);
+  std::vector<double> sigmaa(nteam+1),sigmac(nteam+1),sigmaall(nteam+1),sigmacll(nteam+1);
+  std::vector<int> end(nteam+1), nQEq(nteam+1),nQEqc(nteam+1),nQEqa(nteam+1);
 
 
   iloop = 0;
@@ -2543,9 +2551,7 @@ void PairSMTBQ::Charge()
   dtq    = 0.0006; // 0.0006
   dtq2   = 0.5*dtq*dtq/qmass;
 
-  double enegchk[nteam+1];
-  double enegtot[nteam+1];
-  double enegmax[nteam+1];
+  std::vector<double> enegchk(nteam+1),enegtot(nteam+1),enegmax(nteam+1);
 
 
 
@@ -2570,12 +2576,12 @@ void PairSMTBQ::Charge()
     if (itype == 0) { qtota[gp] += q[i]; nQEqa[gp] += 1; }
   }
 
-  MPI_Allreduce(nQEq,nQEqall,nteam+1,MPI_INT,MPI_SUM,world);
-  MPI_Allreduce(nQEqc,nQEqcall,nteam+1,MPI_INT,MPI_SUM,world);
-  MPI_Allreduce(nQEqa,nQEqaall,nteam+1,MPI_INT,MPI_SUM,world);
+  MPI_Allreduce(nQEq.data(),nQEqall,nteam+1,MPI_INT,MPI_SUM,world);
+  MPI_Allreduce(nQEqc.data(),nQEqcall,nteam+1,MPI_INT,MPI_SUM,world);
+  MPI_Allreduce(nQEqa.data(),nQEqaall,nteam+1,MPI_INT,MPI_SUM,world);
 
-  MPI_Allreduce(qtotc,qtotcll,nteam+1,MPI_DOUBLE,MPI_SUM,world);
-  MPI_Allreduce(qtota,qtotall,nteam+1,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(qtotc.data(),qtotcll.data(),nteam+1,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(qtota.data(),qtotall.data(),nteam+1,MPI_DOUBLE,MPI_SUM,world);
   MPI_Allreduce(&qtot,&qtotll,1,MPI_DOUBLE,MPI_SUM,world);
 
 
@@ -2667,7 +2673,8 @@ void PairSMTBQ::Charge()
         gp = flag_QEq[i];
 
         qf[i] = 0.0;
-        qf[i] = potself[i]+potmad[i]+potcov[i]+chimet[i] ;
+        //  AK: chimet is not set anywhere
+        qf[i] = potself[i]+potmad[i]+potcov[i]; // +chimet[i];
         Transf[gp] += qf[i];
       }
 
@@ -2694,8 +2701,8 @@ void PairSMTBQ::Charge()
 
     } // Boucle local
 
-    MPI_Allreduce(enegchk,enegchkall,nteam+1,MPI_DOUBLE,MPI_SUM,world);
-    MPI_Allreduce(enegmax,enegmaxall,nteam+1,MPI_DOUBLE,MPI_MAX,world);
+    MPI_Allreduce(enegchk.data(),enegchkall.data(),nteam+1,MPI_DOUBLE,MPI_SUM,world);
+    MPI_Allreduce(enegmax.data(),enegmaxall.data(),nteam+1,MPI_DOUBLE,MPI_MAX,world);
 
 
     for (gp = 0; gp < nteam+1; gp++) {
@@ -2783,8 +2790,8 @@ void PairSMTBQ::Charge()
       if (itype == 1) sigmac[gp] += (q[i]-TransfAll[gp+cluster])*(q[i]-TransfAll[gp+cluster]);
     }
 
-  MPI_Allreduce(sigmaa,sigmaall,nteam+1,MPI_DOUBLE,MPI_SUM,world);
-  MPI_Allreduce(sigmac,sigmacll,nteam+1,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(sigmaa.data(),sigmaall.data(),nteam+1,MPI_DOUBLE,MPI_SUM,world);
+  MPI_Allreduce(sigmac.data(),sigmacll.data(),nteam+1,MPI_DOUBLE,MPI_SUM,world);
 
   for (gp = 1; gp < nteam+1; gp++) {
     sigmaall[gp] = sqrt(sigmaall[gp]/static_cast<double>(nQEqaall[gp])) ;
@@ -2886,11 +2893,12 @@ void PairSMTBQ::groupSurface_QEq()
 void PairSMTBQ::groupQEqAllParallel_QEq()
 {
   int ii,i,jj,j,kk,k,itype,jtype,ktype,jnum,m,gp,zz,z,kgp;
-  int iproc,team_elt[10][nproc],team_QEq[10][nproc][5];
+  int iproc; // ,team_elt[10][nproc],team_QEq[10][nproc][5];
+  int **team_elt,***team_QEq;
   int *ilist,*jlist,*numneigh,**firstneigh,ngp,igp;
   double delr[3],xtmp,ytmp,ztmp,rsq;
   int **flag_gp, *nelt, **tab_gp;
-  int QEq,QEqall[nproc];
+  int QEq,*QEqall;
 
   double **x = atom->x;
   int *type = atom->type;
@@ -2918,6 +2926,9 @@ void PairSMTBQ::groupQEqAllParallel_QEq()
   memory->create(nelt,nall,"pair:nelt");
   memory->create(tab_gp,10,nall,"pair:flag_gp");
 
+  memory->create(team_elt,10,nproc,"pair:team_elt");
+  memory->create(team_QEq,10,nproc,5,"pair:team_QEq");
+  memory->create(QEqall,nproc,"pair:QEqall");
 
   for (i = 0; i < nall ; i++) { flag_QEq[i] = 0; }
   for (i = 0; i < 10*nproc; i++) {
@@ -2993,6 +3004,9 @@ void PairSMTBQ::groupQEqAllParallel_QEq()
     memory->destroy(tab_gp);
     memory->destroy(nelt);
 
+    memory->destroy(team_elt);
+    memory->destroy(team_QEq);
+    memory->destroy(QEqall);
     return;
   }
   // :::::::::::::::::::::::::::::::::::::::::::::::::::::::
@@ -3330,6 +3344,9 @@ void PairSMTBQ::groupQEqAllParallel_QEq()
   memory->destroy(tab_gp);
   memory->destroy(nelt);
 
+  memory->destroy(team_elt);
+  memory->destroy(team_QEq);
+  memory->destroy(QEqall);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -3337,7 +3354,8 @@ void PairSMTBQ::groupQEqAllParallel_QEq()
 void PairSMTBQ::Init_charge(int * /*nQEq*/, int * /*nQEqa*/, int * /*nQEqc*/)
 {
   int ii,i,gp,itype;
-  int *ilist,test[nteam],init[nteam];
+  int *ilist;
+  std::vector<int> test(cluster),init(cluster);
   double bound,tot,totll;
 
   int inum = list->inum;
@@ -3367,7 +3385,8 @@ void PairSMTBQ::Init_charge(int * /*nQEq*/, int * /*nQEqa*/, int * /*nQEqc*/)
     }
   }
 
-  MPI_Allreduce(test,init,nteam+1,MPI_INT,MPI_SUM,world);
+  // TODO
+  MPI_Allreduce(test.data(),init.data(),cluster,MPI_INT,MPI_SUM,world);
 
   //  On fait que sur les atomes hybrides!!!
   // ----------------------------------------
diff --git a/src/USER-SMTBQ/pair_smtbq.h b/src/USER-SMTBQ/pair_smtbq.h
index ac8ed70ac0d2cbdc284ad884402e1c88a13f7443..05e4b67242f9e8c7d5583857e745d2bee00723a2 100644
--- a/src/USER-SMTBQ/pair_smtbq.h
+++ b/src/USER-SMTBQ/pair_smtbq.h
@@ -90,7 +90,7 @@ protected:
    double coordOxBulk,coordOxSurf,ROxSurf,coordOxBB,ROxBB;
 
 // Covalent interaction
-   double *ecov, *potmad, *potself, *potcov, *chimet;
+   double *ecov, *potmad, *potself, *potcov; //, *chimet;
    double **tabsmb,**dtabsmb, **tabsmr, **dtabsmr, *sbcov, *sbmet;
    double ncov;
 
diff --git a/src/USER-SPH/pair_sph_heatconduction.cpp b/src/USER-SPH/pair_sph_heatconduction.cpp
index c93e8040b261832c6d083f4d14a36732b806722f..bafa26be89d47ef2f09c5d94ea9847c77451f91d 100644
--- a/src/USER-SPH/pair_sph_heatconduction.cpp
+++ b/src/USER-SPH/pair_sph_heatconduction.cpp
@@ -52,10 +52,7 @@ void PairSPHHeatConduction::compute(int eflag, int vflag) {
   double imass, jmass, h, ih, ihsq;
   double rsq, wfd, D, deltaE;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **x = atom->x;
   double *e = atom->e;
diff --git a/src/USER-SPH/pair_sph_idealgas.cpp b/src/USER-SPH/pair_sph_idealgas.cpp
index d12ee06736901fbb57a9e995408d9af7ab19dd20..db5ec964bc35da427bc312f7889b022256205882 100644
--- a/src/USER-SPH/pair_sph_idealgas.cpp
+++ b/src/USER-SPH/pair_sph_idealgas.cpp
@@ -53,10 +53,7 @@ void PairSPHIdealGas::compute(int eflag, int vflag) {
   double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc, h, ih, ihsq;
   double rsq, wfd, delVdotDelR, mu, deltaE, ci, cj;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **v = atom->vest;
   double **x = atom->x;
diff --git a/src/USER-SPH/pair_sph_lj.cpp b/src/USER-SPH/pair_sph_lj.cpp
index 3a30ecb5fac4e1007d233e0fd0ed9454e6b5e014..7d315c975cb29708171dfc411665935b6376bb5a 100644
--- a/src/USER-SPH/pair_sph_lj.cpp
+++ b/src/USER-SPH/pair_sph_lj.cpp
@@ -53,10 +53,7 @@ void PairSPHLJ::compute(int eflag, int vflag) {
   double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc, h, ih, ihsq, ihcub;
   double rsq, wfd, delVdotDelR, mu, deltaE, ci, cj, lrc;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **v = atom->vest;
   double **x = atom->x;
diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp
index 896a4227823f7888475fa485477910b5e3d84aaf..842dddc7448e6e08ea6a803ee181d363bb05e92d 100644
--- a/src/USER-SPH/pair_sph_rhosum.cpp
+++ b/src/USER-SPH/pair_sph_rhosum.cpp
@@ -72,10 +72,7 @@ void PairSPHRhoSum::compute(int eflag, int vflag) {
   // neighbor list variables
   int inum, *ilist, *numneigh, **firstneigh;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **x = atom->x;
   double *rho = atom->rho;
diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp
index 9d5a417e5bc4443e8b933cbc498fd912614992c9..cf3c0e914bb425e69d5085f295336eda4a7ce33e 100644
--- a/src/USER-SPH/pair_sph_taitwater.cpp
+++ b/src/USER-SPH/pair_sph_taitwater.cpp
@@ -58,10 +58,7 @@ void PairSPHTaitwater::compute(int eflag, int vflag) {
   double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc, h, ih, ihsq;
   double rsq, tmp, wfd, delVdotDelR, mu, deltaE;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **v = atom->vest;
   double **x = atom->x;
diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp
index fb745ac7da1d930e3af72014943ddcf650b50d4e..5cbaa5959f42acfad8e28b84c7ac0274294aa3ae 100644
--- a/src/USER-SPH/pair_sph_taitwater_morris.cpp
+++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp
@@ -58,10 +58,7 @@ void PairSPHTaitwaterMorris::compute(int eflag, int vflag) {
   double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc, h, ih, ihsq, velx, vely, velz;
   double rsq, tmp, wfd, delVdotDelR, deltaE;
 
-  if (eflag || vflag)
-    ev_setup(eflag, vflag);
-  else
-    evflag = vflag_fdotr = 0;
+  ev_init(eflag, vflag);
 
   double **v = atom->vest;
   double **x = atom->x;
diff --git a/src/USER-TALLY/README b/src/USER-TALLY/README
index 5f073b4d6775fe58b235641fa255d9cb662926c1..2167c72eb53f27b01284ee461f764e7ad0245814 100644
--- a/src/USER-TALLY/README
+++ b/src/USER-TALLY/README
@@ -21,7 +21,7 @@ The person who created this package is Axel Kohlmeyer (akohlmey@gmail.com)
 at Temple University with a little help and inspiration from
 Loris Ercole (SISSA/ISAS Trieste), who contributed compute heat/flux/tally.
 
-Additional contributed compute style for this package are welcome.
+Additional contributed compute styles for this package are welcome.
 Please contact Axel, if you have questions about the implementation.
 
 
diff --git a/src/USER-TALLY/compute_force_tally.cpp b/src/USER-TALLY/compute_force_tally.cpp
index 0ec1d332a4ea91daf86330f7c51e33e980bc1553..3339e0555b27afd0b6aae8da1a3b1e07ac06ad8e 100644
--- a/src/USER-TALLY/compute_force_tally.cpp
+++ b/src/USER-TALLY/compute_force_tally.cpp
@@ -41,6 +41,7 @@ ComputeForceTally::ComputeForceTally(LAMMPS *lmp, int narg, char **arg) :
   vector_flag = 0;
   peratom_flag = 1;
   timeflag = 1;
+  dynamic_group_allow = 0;
 
   comm_reverse = size_peratom_cols = 3;
   extscalar = 1;
@@ -85,6 +86,11 @@ void ComputeForceTally::init()
 
 void ComputeForceTally::pair_setup_callback(int, int)
 {
+  // run setup only once per time step.
+  // we may be called from multiple pair styles
+
+  if (did_setup == update->ntimestep) return;
+
   const int ntotal = atom->nlocal + atom->nghost;
 
   // grow per-atom storage, if needed
diff --git a/src/USER-TALLY/compute_heat_flux_tally.cpp b/src/USER-TALLY/compute_heat_flux_tally.cpp
index f8db92a730e320905d488e45d74c26ab1636d836..2a5f724953ba9004a23473806f40323e19c63230 100644
--- a/src/USER-TALLY/compute_heat_flux_tally.cpp
+++ b/src/USER-TALLY/compute_heat_flux_tally.cpp
@@ -38,6 +38,7 @@ ComputeHeatFluxTally::ComputeHeatFluxTally(LAMMPS *lmp, int narg, char **arg) :
 
   vector_flag = 1;
   timeflag = 1;
+  dynamic_group_allow = 0;
 
   comm_reverse = 7;
   extvector = 1;
@@ -87,6 +88,11 @@ void ComputeHeatFluxTally::init()
 /* ---------------------------------------------------------------------- */
 void ComputeHeatFluxTally::pair_setup_callback(int, int)
 {
+  // run setup only once per time step.
+  // we may be called from multiple pair styles
+
+  if (did_setup == update->ntimestep) return;
+
   const int ntotal = atom->nlocal + atom->nghost;
 
   // grow per-atom storage, if needed
diff --git a/src/USER-TALLY/compute_pe_mol_tally.cpp b/src/USER-TALLY/compute_pe_mol_tally.cpp
index 264ddca270af4f7956b50ceb2da75ec380c57295..5fabd4a77b2026bf50d2d7465cb6569aa059a8b5 100644
--- a/src/USER-TALLY/compute_pe_mol_tally.cpp
+++ b/src/USER-TALLY/compute_pe_mol_tally.cpp
@@ -39,6 +39,7 @@ ComputePEMolTally::ComputePEMolTally(LAMMPS *lmp, int narg, char **arg) :
   vector_flag = 1;
   size_vector = 4;
   timeflag = 1;
+  dynamic_group_allow = 0;
 
   extvector = 1;
   peflag = 1;                   // we need Pair::ev_tally() to be run
@@ -82,6 +83,11 @@ void ComputePEMolTally::init()
 
 void ComputePEMolTally::pair_setup_callback(int, int)
 {
+  // run setup only once per time step.
+  // we may be called from multiple pair styles
+
+  if (did_setup == update->ntimestep) return;
+
   etotal[0] = etotal[1] = etotal[2] = etotal[3] = 0.0;
   did_setup = update->ntimestep;
 }
diff --git a/src/USER-TALLY/compute_pe_tally.cpp b/src/USER-TALLY/compute_pe_tally.cpp
index 3031915ebe54f76c51d409b36455cdccee9bdff0..8e6703bde124b18d1f0952f1c0f6cc394a4bdf1d 100644
--- a/src/USER-TALLY/compute_pe_tally.cpp
+++ b/src/USER-TALLY/compute_pe_tally.cpp
@@ -40,6 +40,7 @@ ComputePETally::ComputePETally(LAMMPS *lmp, int narg, char **arg) :
   vector_flag = 0;
   peratom_flag = 1;
   timeflag = 1;
+  dynamic_group_allow = 0;
 
   comm_reverse = size_peratom_cols = 2;
   extscalar = 1;
@@ -84,6 +85,11 @@ void ComputePETally::init()
 
 void ComputePETally::pair_setup_callback(int, int)
 {
+  // run setup only once per time step.
+  // we may be called from multiple pair styles
+
+  if (did_setup == update->ntimestep) return;
+
   const int ntotal = atom->nlocal + atom->nghost;
 
   // grow per-atom storage, if needed
diff --git a/src/USER-TALLY/compute_stress_tally.cpp b/src/USER-TALLY/compute_stress_tally.cpp
index 8ed40ae8e24dad64c313563f5c157f8f7d0794cf..07d685a9c207fddcbc58069d44bc0a04ee8c32c7 100644
--- a/src/USER-TALLY/compute_stress_tally.cpp
+++ b/src/USER-TALLY/compute_stress_tally.cpp
@@ -41,6 +41,7 @@ ComputeStressTally::ComputeStressTally(LAMMPS *lmp, int narg, char **arg) :
   vector_flag = 0;
   peratom_flag = 1;
   timeflag = 1;
+  dynamic_group_allow = 0;
 
   comm_reverse = size_peratom_cols = 6;
   extscalar = 0;
@@ -87,6 +88,11 @@ void ComputeStressTally::init()
 
 void ComputeStressTally::pair_setup_callback(int, int)
 {
+  // run setup only once per time step.
+  // we may be called from multiple pair styles
+
+  if (did_setup == update->ntimestep) return;
+
   const int ntotal = atom->nlocal + atom->nghost;
 
   // grow per-atom storage, if needed
diff --git a/src/USER-YAFF/angle_cross.cpp b/src/USER-YAFF/angle_cross.cpp
index 6333c2f0353061458bb01c3740832064ad7e236d..2e6731f4943b7d3cafbe4a717e566de1ca8e6ba6 100644
--- a/src/USER-YAFF/angle_cross.cpp
+++ b/src/USER-YAFF/angle_cross.cpp
@@ -67,8 +67,7 @@ void AngleCross::compute(int eflag, int vflag)
   double vx11,vx12,vy11,vy12,vz11,vz12,vx21,vx22,vy21,vy22,vz21,vz22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/angle_mm3.cpp b/src/USER-YAFF/angle_mm3.cpp
index 4e44f1040879713f14260655c2c53ae6a4d54223..53cb11b5df6f96fb4e442799d7c42477c64ba018 100644
--- a/src/USER-YAFF/angle_mm3.cpp
+++ b/src/USER-YAFF/angle_mm3.cpp
@@ -61,8 +61,7 @@ void AngleMM3::compute(int eflag, int vflag)
   double rsq1,rsq2,r1,r2,c,s,a,a11,a12,a22;
 
   eangle = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/bond_mm3.cpp b/src/USER-YAFF/bond_mm3.cpp
index 1c464ff895ceb7cb3df5622e306646906f4f8962..ee1ebcdd6123c2304e7e788c663a2b60de1ae2d6 100644
--- a/src/USER-YAFF/bond_mm3.cpp
+++ b/src/USER-YAFF/bond_mm3.cpp
@@ -54,8 +54,7 @@ void BondMM3::compute(int eflag, int vflag)
   double rsq,r,dr,dr2,de_bond,K3,K4;
 
   ebond = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/improper_distharm.cpp b/src/USER-YAFF/improper_distharm.cpp
index 9a54afed9a473c0740693bb13cbe311b846215af..b45087a9ab8a99d94e00469c1f3682ad757ebf6d 100644
--- a/src/USER-YAFF/improper_distharm.cpp
+++ b/src/USER-YAFF/improper_distharm.cpp
@@ -67,8 +67,7 @@ void ImproperDistHarm::compute(int eflag, int vflag)
   double domega,a;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/improper_sqdistharm.cpp b/src/USER-YAFF/improper_sqdistharm.cpp
index 763d82f1c55faa5f84f50b4cf4755ab5eb2bb08f..ae702820cb9b200af6ec2e60e178959b31f9b701 100644
--- a/src/USER-YAFF/improper_sqdistharm.cpp
+++ b/src/USER-YAFF/improper_sqdistharm.cpp
@@ -67,8 +67,7 @@ void ImproperSQDistHarm::compute(int eflag, int vflag)
   double domega,a;
 
   eimproper = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
index 91c75d6945dd59d64943251a75794cf32f3a057c..f37dcc3ed1ad78be4275b28d9642f3a47650307f 100644
--- a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
+++ b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
@@ -91,8 +91,7 @@ void PairLJSwitch3CoulGaussLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
index aa656e5b2d7de8886c36cc77bf2adfb21834d0f3..931ed1d116616a6b603c40a4dbc90cead2e438d1 100644
--- a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
+++ b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
@@ -91,8 +91,7 @@ void PairMM3Switch3CoulGaussLong::compute(int eflag, int vflag)
   double rsq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp
index f884530fd91b895206428ba5ddbfbc4148ff3fed..860126fa7736b95e3f65ae788298a321ded554dd 100644
--- a/src/VORONOI/compute_voronoi_atom.cpp
+++ b/src/VORONOI/compute_voronoi_atom.cpp
@@ -642,7 +642,7 @@ void ComputeVoronoi::compute_local()
 /* ---------------------------------------------------------------------- */
 
 int ComputeVoronoi::pack_forward_comm(int n, int *list, double *buf,
-                                  int pbc_flag, int *pbc)
+                                  int /* pbc_flag */, int * /* pbc */)
 {
   int i,m=0;
   for (i = 0; i < n; ++i) buf[m++] = rfield[list[i]];
diff --git a/src/accelerator_kokkos.h b/src/accelerator_kokkos.h
index e64bde24bedc6796eea607735144662e3c644024..74bd470572b252a6169ee3d76c098b9ef4034d9e 100644
--- a/src/accelerator_kokkos.h
+++ b/src/accelerator_kokkos.h
@@ -50,8 +50,8 @@ namespace LAMMPS_NS {
 class KokkosLMP {
  public:
   int kokkos_exists;
-  int num_threads;
-  int ngpu;
+  int nthreads;
+  int ngpus;
   int numa;
 
   KokkosLMP(class LAMMPS *, int, char **) {kokkos_exists = 0;}
diff --git a/src/angle.h b/src/angle.h
index 0247fa0ff83eb24204d01908577e60dab67883d4..3d8371242e5a00e498c4e07efac407bd3c343842 100644
--- a/src/angle.h
+++ b/src/angle.h
@@ -58,6 +58,10 @@ class Angle : protected Pointers {
   int vflag_either,vflag_global,vflag_atom;
   int maxeatom,maxvatom;
 
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, double, double *, double *,
                 double, double, double, double, double, double);
diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp
index c29eaac2ae9e694c6eb3198099c04bcd9fb9122e..6afa7413b2012c896224f760e476579caf67eacc 100644
--- a/src/angle_hybrid.cpp
+++ b/src/angle_hybrid.cpp
@@ -103,8 +103,7 @@ void AngleHybrid::compute(int eflag, int vflag)
   // set neighbor->anglelist to sub-style anglelist before call
   // accumulate sub-style global/peratom energy/virial in hybrid
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   for (m = 0; m < nstyles; m++) {
     neighbor->nanglelist = nanglelist[m];
diff --git a/src/angle_zero.cpp b/src/angle_zero.cpp
index d7b7c9cdb5546eda86753439a5cd37079fc1801a..6eb127fa581bec6db9dc5ef5c73e24421d5802b1 100644
--- a/src/angle_zero.cpp
+++ b/src/angle_zero.cpp
@@ -47,8 +47,7 @@ AngleZero::~AngleZero()
 
 void AngleZero::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/atom.cpp b/src/atom.cpp
index be4d12d52ecc828cf092987441e1fbb144a0908e..1f5d5a80c4278f29f7c0b36f290268b1b5b71682 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -39,6 +39,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 #ifdef LMP_USER_INTEL
 #include "neigh_request.h"
@@ -58,6 +59,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
   natoms = 0;
   nlocal = nghost = nmax = 0;
   ntypes = 0;
+  nellipsoids = nlines = ntris = nbodies = 0;
   nbondtypes = nangletypes = ndihedraltypes = nimpropertypes = 0;
   nbonds = nangles = ndihedrals = nimpropers = 0;
 
@@ -98,7 +100,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
 
   // SPIN package
 
-  sp = fm = NULL;
+  sp = fm = fm_long = NULL;
 
   // USER-DPD
 
@@ -277,6 +279,7 @@ Atom::~Atom()
 
   memory->destroy(sp);
   memory->destroy(fm);
+  memory->destroy(fm_long);
 
   memory->destroy(vfrac);
   memory->destroy(s0);
@@ -452,8 +455,8 @@ void Atom::create_avec(const char *style, int narg, char **arg, int trysuffix)
 
   if (sflag) {
     char estyle[256];
-    if (sflag == 1) sprintf(estyle,"%s/%s",style,lmp->suffix);
-    else sprintf(estyle,"%s/%s",style,lmp->suffix2);
+    if (sflag == 1) snprintf(estyle,256,"%s/%s",style,lmp->suffix);
+    else snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
     int n = strlen(estyle) + 1;
     atom_style = new char[n];
     strcpy(atom_style,estyle);
@@ -484,7 +487,7 @@ AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (avec_map->find(estyle) != avec_map->end()) {
         AtomVecCreator avec_creator = (*avec_map)[estyle];
         return avec_creator(lmp);
@@ -494,7 +497,7 @@ AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (avec_map->find(estyle) != avec_map->end()) {
         AtomVecCreator avec_creator = (*avec_map)[estyle];
         return avec_creator(lmp);
@@ -508,7 +511,7 @@ AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
     return avec_creator(lmp);
   }
 
-  error->all(FLERR,"Unknown atom style");
+  error->all(FLERR,utils::check_packages_for_style("atom",style,lmp).c_str());
   return NULL;
 }
 
@@ -738,6 +741,45 @@ int Atom::tag_consecutive()
   return 1;
 }
 
+/* ----------------------------------------------------------------------
+   check that bonus data settings are valid
+   error if number of atoms with ellipsoid/line/tri/body flags
+   are consistent with global setting.
+------------------------------------------------------------------------- */
+
+void Atom::bonus_check()
+{
+  bigint local_ellipsoids = 0, local_lines = 0, local_tris = 0;
+  bigint local_bodies = 0, num_global;
+
+  for (int i = 0; i < nlocal; ++i) {
+    if (ellipsoid && (ellipsoid[i] >=0)) ++local_ellipsoids;
+    if (line && (line[i] >=0)) ++local_lines;
+    if (tri && (tri[i] >=0)) ++local_tris;
+    if (body && (body[i] >=0)) ++local_bodies;
+  }
+
+  MPI_Allreduce(&local_ellipsoids,&num_global,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  if (nellipsoids != num_global)
+    error->all(FLERR,"Inconsistent 'ellipsoids' header value and number of "
+               "atoms with enabled ellipsoid flags");
+
+  MPI_Allreduce(&local_lines,&num_global,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  if (nlines != num_global)
+    error->all(FLERR,"Inconsistent 'lines' header value and number of "
+               "atoms with enabled line flags");
+
+  MPI_Allreduce(&local_tris,&num_global,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  if (ntris != num_global)
+    error->all(FLERR,"Inconsistent 'tris' header value and number of "
+               "atoms with enabled tri flags");
+
+  MPI_Allreduce(&local_bodies,&num_global,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  if (nbodies != num_global)
+    error->all(FLERR,"Inconsistent 'bodies' header value and number of "
+               "atoms with enabled body flags");
+}
+
 /* ----------------------------------------------------------------------
    count and return words in a single line
    make copy of line before using strtok so as not to change line
diff --git a/src/atom.h b/src/atom.h
index 324ad0f2d2e5f5355f36b7f6366d6a55eef6e76b..5cd9ca819b9c3b3c94d787ffb965aefbf70d670e 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -34,6 +34,10 @@ class Atom : protected Pointers {
   int tag_enable;               // 0/1 if atom ID tags are defined
   int molecular;                // 0 = atomic, 1 = standard molecular system,
                                 // 2 = molecule template system
+  bigint nellipsoids;           // number of ellipsoids
+  bigint nlines;                // number of lines
+  bigint ntris;                 // number of triangles
+  bigint nbodies;               // number of bodies
 
   bigint nbonds,nangles,ndihedrals,nimpropers;
   int ntypes,nbondtypes,nangletypes,ndihedraltypes,nimpropertypes;
@@ -65,6 +69,7 @@ class Atom : protected Pointers {
 
   double **sp;
   double **fm;
+  double **fm_long;
 
   // PERI package
 
@@ -233,6 +238,8 @@ class Atom : protected Pointers {
   void tag_extend();
   int tag_consecutive();
 
+  void bonus_check();
+
   int parse_data(const char *);
   int count_words(const char *);
   int count_words(const char *, char *);
@@ -280,6 +287,7 @@ class Atom : protected Pointers {
 
   inline int* get_map_array() {return map_array;};
   inline int get_map_size() {return map_tag_max+1;};
+  inline int get_map_maxarray() {return map_maxarray+1;};
 
   bigint memory_usage();
   int memcheck(const char *);
@@ -355,7 +363,7 @@ E: Atom IDs must be used for molecular systems
 
 Atom IDs are used to identify and find partner atoms in bonds.
 
-E: Unknown atom style
+E: Unrecognized atom style
 
 The choice of atom style is unknown.
 
diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp
index 5a277627ee86f557f7060cbaf069426dee58264d..d5f286c077683a97734bd6d85ce35a9accc20079 100644
--- a/src/atom_vec_body.cpp
+++ b/src/atom_vec_body.cpp
@@ -25,6 +25,7 @@
 #include "fix.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -96,7 +97,7 @@ void AtomVecBody::process_args(int narg, char **arg)
 #undef BodyStyle
 #undef BODY_CLASS
 
-  else error->all(FLERR,"Unknown body style");
+  else error->all(FLERR,utils::check_packages_for_style("body",arg[0],lmp).c_str());
 
   bptr->avec = this;
   icp = bptr->icp;
@@ -1286,7 +1287,7 @@ void AtomVecBody::data_atom(double *coord, imageint imagetmp, char **values)
   body[nlocal] = atoi(values[2]);
   if (body[nlocal] == 0) body[nlocal] = -1;
   else if (body[nlocal] == 1) body[nlocal] = 0;
-  else error->one(FLERR,"Invalid atom type in Atoms section of data file");
+  else error->one(FLERR,"Invalid bodyflag in Atoms section of data file");
 
   rmass[nlocal] = atof(values[3]);
   if (rmass[nlocal] <= 0.0)
diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h
index 3244b0f64df7824da52371edabf2250dea2841c9..4d02c4b3e05455d933626989a5763c4c3079022e 100644
--- a/src/atom_vec_body.h
+++ b/src/atom_vec_body.h
@@ -92,6 +92,8 @@ class AtomVecBody : public AtomVec {
   double radius_body(int, int, int *, double *);
   void set_quat(int, double *);
 
+  int nlocal_bonus;
+
  private:
   tagint *tag;
   int *type,*mask;
@@ -102,7 +104,7 @@ class AtomVecBody : public AtomVec {
   double **angmom,**torque;
   int *body;
 
-  int nlocal_bonus,nghost_bonus,nmax_bonus;
+  int nghost_bonus,nmax_bonus;
   int intdoubleratio;       // sizeof(double) / sizeof(int)
 
   MyPoolChunk<int> *icp;
@@ -128,7 +130,7 @@ E: Invalid atom_style body command
 
 No body style argument was provided.
 
-E: Unknown body style
+E: Unrecognized body style
 
 The choice of body style is unknown.
 
diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp
index c569f89a0933ef4b594f0fc581647140140a93d3..2bf3f683d0be561a2370cff34c4bdee07d72efe2 100644
--- a/src/atom_vec_ellipsoid.cpp
+++ b/src/atom_vec_ellipsoid.cpp
@@ -1148,7 +1148,7 @@ void AtomVecEllipsoid::data_atom(double *coord, imageint imagetmp,
   ellipsoid[nlocal] = atoi(values[2]);
   if (ellipsoid[nlocal] == 0) ellipsoid[nlocal] = -1;
   else if (ellipsoid[nlocal] == 1) ellipsoid[nlocal] = 0;
-  else error->one(FLERR,"Invalid atom type in Atoms section of data file");
+  else error->one(FLERR,"Invalid ellipsoidflag in Atoms section of data file");
 
   rmass[nlocal] = atof(values[3]);
   if (rmass[nlocal] <= 0.0)
diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h
index 6beb68b1763b4822dbf7fe1ace64e91f6d3f61f8..d71859624e85d300e4d9025b6ee6deb3c2550f4e 100644
--- a/src/atom_vec_ellipsoid.h
+++ b/src/atom_vec_ellipsoid.h
@@ -83,6 +83,8 @@ class AtomVecEllipsoid : public AtomVec {
 
   void set_shape(int, double, double, double);
 
+  int nlocal_bonus;
+
  private:
   tagint *tag;
   int *type,*mask;
@@ -92,7 +94,7 @@ class AtomVecEllipsoid : public AtomVec {
   double **angmom,**torque;
   int *ellipsoid;
 
-  int nlocal_bonus,nghost_bonus,nmax_bonus;
+  int nghost_bonus,nmax_bonus;
 
   void grow_bonus();
   void copy_bonus(int, int);
diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp
index 9babfe3735ca1eb03ce0c67f3b4033517dc16998..020b622c93441da1519d6a9615222edff54f7a5c 100644
--- a/src/atom_vec_line.cpp
+++ b/src/atom_vec_line.cpp
@@ -1044,7 +1044,7 @@ void AtomVecLine::data_atom(double *coord, imageint imagetmp, char **values)
   line[nlocal] = atoi(values[3]);
   if (line[nlocal] == 0) line[nlocal] = -1;
   else if (line[nlocal] == 1) line[nlocal] = 0;
-  else error->one(FLERR,"Invalid atom type in Atoms section of data file");
+  else error->one(FLERR,"Invalid lineflag in Atoms section of data file");
 
   rmass[nlocal] = atof(values[4]);
   if (rmass[nlocal] <= 0.0)
diff --git a/src/atom_vec_line.h b/src/atom_vec_line.h
index 7f07532fa4c1a955bed85ccb18f0ecb401fdebbe..6c8701cfc27064fba292a5bd28c491bcbd9ea919 100644
--- a/src/atom_vec_line.h
+++ b/src/atom_vec_line.h
@@ -83,6 +83,8 @@ class AtomVecLine : public AtomVec {
 
   void set_length(int, double);
 
+  int nlocal_bonus;
+
  private:
   tagint *tag;
   int *type,*mask;
@@ -93,7 +95,7 @@ class AtomVecLine : public AtomVec {
   double **omega,**torque;
   int *line;
 
-  int nlocal_bonus,nghost_bonus,nmax_bonus;
+  int nghost_bonus,nmax_bonus;
 
   void grow_bonus();
   void copy_bonus(int, int);
diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp
index 2c31b95cfe3adf07520fdb39426c34597c1e16d1..8fbe0a92dc489cb93106e39819633cbf4f49aa25 100644
--- a/src/atom_vec_tri.cpp
+++ b/src/atom_vec_tri.cpp
@@ -1443,7 +1443,7 @@ void AtomVecTri::data_atom(double *coord, imageint imagetmp, char **values)
   tri[nlocal] = atoi(values[3]);
   if (tri[nlocal] == 0) tri[nlocal] = -1;
   else if (tri[nlocal] == 1) tri[nlocal] = 0;
-  else error->one(FLERR,"Invalid atom type in Atoms section of data file");
+  else error->one(FLERR,"Invalid triflag in Atoms section of data file");
 
   rmass[nlocal] = atof(values[4]);
   if (rmass[nlocal] <= 0.0)
diff --git a/src/atom_vec_tri.h b/src/atom_vec_tri.h
index 390efc7c10f27b136f8a2420fe9d6ac6e009fee2..81b4c1ada916b6720a9a86420a362b865b66a166 100644
--- a/src/atom_vec_tri.h
+++ b/src/atom_vec_tri.h
@@ -85,6 +85,8 @@ class AtomVecTri : public AtomVec {
 
   void set_equilateral(int, double);
 
+  int nlocal_bonus;
+
  private:
   tagint *tag;
   int *type,*mask;
@@ -95,7 +97,7 @@ class AtomVecTri : public AtomVec {
   double **omega,**angmom,**torque;
   int *tri;
 
-  int nlocal_bonus,nghost_bonus,nmax_bonus;
+  int nghost_bonus,nmax_bonus;
 
   void grow_bonus();
   void copy_bonus(int, int);
diff --git a/src/balance.cpp b/src/balance.cpp
index 2a953caf477acc84863fa3f39e4ad54e518128cd..61ac895467609d705cb4985f113df3cf5028d284 100644
--- a/src/balance.cpp
+++ b/src/balance.cpp
@@ -1255,14 +1255,14 @@ void Balance::dumpout(bigint tstep)
       int m = 0;
       for (int i = 0; i < nprocs; i++) {
         domain->lamda_box_corners(&boxall[i][0],&boxall[i][3]);
-        fprintf(fp,"%d %d %g %g %g\n",m+1,1,bc[0][0],bc[0][1],bc[0][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+2,1,bc[1][0],bc[1][1],bc[1][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+3,1,bc[2][0],bc[2][1],bc[2][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+4,1,bc[3][0],bc[3][1],bc[3][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+5,1,bc[4][0],bc[4][1],bc[4][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+6,1,bc[5][0],bc[5][1],bc[5][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+7,1,bc[6][0],bc[6][1],bc[6][1]);
-        fprintf(fp,"%d %d %g %g %g\n",m+8,1,bc[7][0],bc[7][1],bc[7][1]);
+        fprintf(fp,"%d %d %g %g %g\n",m+1,1,bc[0][0],bc[0][1],bc[0][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+2,1,bc[1][0],bc[1][1],bc[1][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+3,1,bc[2][0],bc[2][1],bc[2][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+4,1,bc[3][0],bc[3][1],bc[3][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+5,1,bc[4][0],bc[4][1],bc[4][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+6,1,bc[5][0],bc[5][1],bc[5][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+7,1,bc[6][0],bc[6][1],bc[6][2]);
+        fprintf(fp,"%d %d %g %g %g\n",m+8,1,bc[7][0],bc[7][1],bc[7][2]);
         m += 8;
       }
     }
diff --git a/src/bond.h b/src/bond.h
index 9c353a1a6dae5fed06e2f9992d116e24d1d284a4..8fb7040832e572eaef02bae25573c02baaf16cf2 100644
--- a/src/bond.h
+++ b/src/bond.h
@@ -64,6 +64,10 @@ class Bond : protected Pointers {
   int vflag_either,vflag_global,vflag_atom;
   int maxeatom,maxvatom;
 
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, double, double, double, double, double);
 };
diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp
index 4e5a26f73134100f4044ceb6f16ab4f47bbd048d..65609b4b6e08cdbca06180971210785c4d3c695e 100644
--- a/src/bond_hybrid.cpp
+++ b/src/bond_hybrid.cpp
@@ -103,8 +103,7 @@ void BondHybrid::compute(int eflag, int vflag)
   // set neighbor->bondlist to sub-style bondlist before call
   // accumulate sub-style global/peratom energy/virial in hybrid
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   for (m = 0; m < nstyles; m++) {
     neighbor->nbondlist = nbondlist[m];
diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp
index 9fcf300b21bef3f2fc6efacdb9215d964d09e349..0847cf9e6b5367a254856510fc0d27cef716e368 100644
--- a/src/bond_zero.cpp
+++ b/src/bond_zero.cpp
@@ -45,8 +45,7 @@ BondZero::~BondZero()
 
 void BondZero::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/comm.cpp b/src/comm.cpp
index f355a562fc03e3089c35bce57c0ceae4c9de95a3..052de937935a669d04e2b747ad8fc01b02536370 100644
--- a/src/comm.cpp
+++ b/src/comm.cpp
@@ -28,6 +28,7 @@
 #include "dump.h"
 #include "group.h"
 #include "procmap.h"
+#include "irregular.h"
 #include "accelerator_kokkos.h"
 #include "memory.h"
 #include "error.h"
@@ -80,7 +81,7 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
   nthreads = 1;
 #ifdef _OPENMP
   if (lmp->kokkos) {
-    nthreads = lmp->kokkos->num_threads * lmp->kokkos->numa;
+    nthreads = lmp->kokkos->nthreads * lmp->kokkos->numa;
   } else if (getenv("OMP_NUM_THREADS") == NULL) {
     nthreads = 1;
     if (me == 0)
@@ -725,6 +726,429 @@ void Comm::ring(int n, int nper, void *inbuf, int messtag,
   memory->destroy(bufcopy);
 }
 
+/* ----------------------------------------------------------------------
+   rendezvous communication operation
+   three stages:
+     first comm sends inbuf from caller decomp to rvous decomp
+     callback operates on data in rendevous decomp
+     second comm sends outbuf from rvous decomp back to caller decomp
+   inputs:
+     which = perform (0) irregular or (1) MPI_All2allv communication
+     n = # of datums in inbuf
+     inbuf = vector of input datums
+     insize = byte size of each input datum
+     inorder = 0 for inbuf in random proc order, 1 for datums ordered by proc
+     procs: inorder 0 = proc to send each datum to, 1 = # of datums/proc,
+     callback = caller function to invoke in rendezvous decomposition
+                takes input datums, returns output datums
+     outorder = same as inorder, but for datums returned by callback()
+     ptr = pointer to caller class, passed to callback()
+   outputs:
+     nout = # of output datums (function return)
+     outbuf = vector of output datums
+     outsize = byte size of each output datum
+   callback inputs:
+     nrvous = # of rvous decomp datums in inbuf_rvous
+     inbuf_rvous = vector of rvous decomp input datums
+     ptr = pointer to caller class
+   callback outputs:
+     nrvous_out = # of rvous decomp output datums (function return)
+     flag = 0 for no second comm, 1 for outbuf_rvous = inbuf_rvous,
+            2 for second comm with new outbuf_rvous
+     procs_rvous = outorder 0 = proc to send each datum to, 1 = # of datums/proc
+                   allocated
+     outbuf_rvous = vector of rvous decomp output datums
+   NOTE: could use MPI_INT or MPI_DOUBLE insead of MPI_CHAR
+         to avoid checked-for overflow in MPI_Alltoallv?
+------------------------------------------------------------------------- */
+
+int Comm::
+rendezvous(int which, int n, char *inbuf, int insize,
+           int inorder, int *procs,
+           int (*callback)(int, char *, int &, int *&, char *&, void *),
+           int outorder, char *&outbuf, int outsize, void *ptr, int statflag)
+{
+  if (which == 0)
+    return rendezvous_irregular(n,inbuf,insize,inorder,procs,callback,
+                                outorder,outbuf,outsize,ptr,statflag);
+  else
+    return rendezvous_all2all(n,inbuf,insize,inorder,procs,callback,
+                              outorder,outbuf,outsize,ptr,statflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
+int Comm::
+rendezvous_irregular(int n, char *inbuf, int insize, int inorder, int *procs,
+                     int (*callback)(int, char *, int &, int *&, char *&, void *),
+                     int outorder, char *&outbuf,
+                     int outsize, void *ptr, int statflag)
+{
+  // irregular comm of inbuf from caller decomp to rendezvous decomp
+
+  Irregular *irregular = new Irregular(lmp);
+
+  int nrvous;
+  if (inorder) nrvous = irregular->create_data_grouped(n,procs);
+  else nrvous = irregular->create_data(n,procs);
+
+  char *inbuf_rvous = (char *) memory->smalloc((bigint) nrvous*insize,
+                                               "rendezvous:inbuf");
+  irregular->exchange_data(inbuf,insize,inbuf_rvous);
+
+  bigint irregular1_bytes = irregular->memory_usage();
+  irregular->destroy_data();
+  delete irregular;
+
+  // peform rendezvous computation via callback()
+  // callback() allocates/populates proclist_rvous and outbuf_rvous
+
+  int flag;
+  int *procs_rvous;
+  char *outbuf_rvous;
+  int nrvous_out = callback(nrvous,inbuf_rvous,flag,
+                            procs_rvous,outbuf_rvous,ptr);
+
+  if (flag != 1) memory->sfree(inbuf_rvous);  // outbuf_rvous = inbuf_vous
+  if (flag == 0) {
+    if (statflag) rendezvous_stats(n,0,nrvous,nrvous_out,insize,outsize,
+                                   (bigint) nrvous_out*sizeof(int) +
+                                   irregular1_bytes);
+    return 0;    // all nout_rvous are 0, no 2nd comm stage
+  }
+
+  // irregular comm of outbuf from rendezvous decomp back to caller decomp
+  // caller will free outbuf
+
+  irregular = new Irregular(lmp);
+
+  int nout;
+  if (outorder)
+    nout = irregular->create_data_grouped(nrvous_out,procs_rvous);
+  else nout = irregular->create_data(nrvous_out,procs_rvous);
+
+  outbuf = (char *) memory->smalloc((bigint) nout*outsize,
+                                    "rendezvous:outbuf");
+  irregular->exchange_data(outbuf_rvous,outsize,outbuf);
+
+  bigint irregular2_bytes = irregular->memory_usage();
+  irregular->destroy_data();
+  delete irregular;
+
+  memory->destroy(procs_rvous);
+  memory->sfree(outbuf_rvous);
+
+  // return number of output datums
+  // last arg to stats() = memory for procs_rvous + irregular comm
+
+  if (statflag) rendezvous_stats(n,nout,nrvous,nrvous_out,insize,outsize,
+                                 (bigint) nrvous_out*sizeof(int) +
+                                 MAX(irregular1_bytes,irregular2_bytes));
+  return nout;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int Comm::
+rendezvous_all2all(int n, char *inbuf, int insize, int inorder, int *procs,
+                   int (*callback)(int, char *, int &, int *&, char *&, void *),
+                   int outorder, char *&outbuf, int outsize, void *ptr,
+                   int statflag)
+{
+  int iproc;
+  bigint all2all1_bytes,all2all2_bytes;
+  int *sendcount,*sdispls,*recvcount,*rdispls;
+  int *procs_a2a;
+  bigint *offsets;
+  char *inbuf_a2a,*outbuf_a2a;
+
+  // create procs and inbuf for All2all if necesary
+
+  if (!inorder) {
+    memory->create(procs_a2a,nprocs,"rendezvous:procs");
+    inbuf_a2a = (char *) memory->smalloc((bigint) n*insize,
+                                         "rendezvous:inbuf");
+    memory->create(offsets,nprocs,"rendezvous:offsets");
+
+    for (int i = 0; i < nprocs; i++) procs_a2a[i] = 0;
+    for (int i = 0; i < n; i++) procs_a2a[procs[i]]++;
+
+    offsets[0] = 0;
+    for (int i = 1; i < nprocs; i++)
+      offsets[i] = offsets[i-1] + insize*procs_a2a[i-1];
+
+    bigint offset = 0;
+    for (int i = 0; i < n; i++) {
+      iproc = procs[i];
+      memcpy(&inbuf_a2a[offsets[iproc]],&inbuf[offset],insize);
+      offsets[iproc] += insize;
+      offset += insize;
+    }
+
+    all2all1_bytes = nprocs*sizeof(int) + nprocs*sizeof(bigint) + n*insize;
+
+  } else {
+    procs_a2a = procs;
+    inbuf_a2a = inbuf;
+    all2all1_bytes = 0;
+  }
+
+  // create args for MPI_Alltoallv() on input data
+
+  memory->create(sendcount,nprocs,"rendezvous:sendcount");
+  memcpy(sendcount,procs_a2a,nprocs*sizeof(int));
+
+  memory->create(recvcount,nprocs,"rendezvous:recvcount");
+  MPI_Alltoall(sendcount,1,MPI_INT,recvcount,1,MPI_INT,world);
+
+  memory->create(sdispls,nprocs,"rendezvous:sdispls");
+  memory->create(rdispls,nprocs,"rendezvous:rdispls");
+  sdispls[0] = rdispls[0] = 0;
+  for (int i = 1; i < nprocs; i++) {
+    sdispls[i] = sdispls[i-1] + sendcount[i-1];
+    rdispls[i] = rdispls[i-1] + recvcount[i-1];
+  }
+  int nrvous = rdispls[nprocs-1] + recvcount[nprocs-1];
+
+  // test for overflow of input data due to imbalance or insize
+  // means that individual sdispls or rdispls values overflow
+
+  int overflow = 0;
+  if ((bigint) n*insize > MAXSMALLINT) overflow = 1;
+  if ((bigint) nrvous*insize > MAXSMALLINT) overflow = 1;
+  int overflowall;
+  MPI_Allreduce(&overflow,&overflowall,1,MPI_INT,MPI_MAX,world);
+  if (overflowall) error->all(FLERR,"Overflow input size in rendezvous_a2a");
+
+  for (int i = 0; i < nprocs; i++) {
+    sendcount[i] *= insize;
+    sdispls[i] *= insize;
+    recvcount[i] *= insize;
+    rdispls[i] *= insize;
+  }
+
+  // all2all comm of inbuf from caller decomp to rendezvous decomp
+
+  char *inbuf_rvous = (char *) memory->smalloc((bigint) nrvous*insize,
+                                               "rendezvous:inbuf");
+
+  MPI_Alltoallv(inbuf_a2a,sendcount,sdispls,MPI_CHAR,
+                inbuf_rvous,recvcount,rdispls,MPI_CHAR,world);
+
+  if (!inorder) {
+    memory->destroy(procs_a2a);
+    memory->sfree(inbuf_a2a);
+    memory->destroy(offsets);
+  }
+
+  // peform rendezvous computation via callback()
+  // callback() allocates/populates proclist_rvous and outbuf_rvous
+
+  int flag;
+  int *procs_rvous;
+  char *outbuf_rvous;
+
+  int nrvous_out = callback(nrvous,inbuf_rvous,flag,
+                            procs_rvous,outbuf_rvous,ptr);
+
+  if (flag != 1) memory->sfree(inbuf_rvous);  // outbuf_rvous = inbuf_vous
+  if (flag == 0) {
+    memory->destroy(sendcount);
+    memory->destroy(recvcount);
+    memory->destroy(sdispls);
+    memory->destroy(rdispls);
+    if (statflag) rendezvous_stats(n,0,nrvous,nrvous_out,insize,outsize,
+                                   (bigint) nrvous_out*sizeof(int) +
+                                   4*nprocs*sizeof(int) + all2all1_bytes);
+    return 0;    // all nout_rvous are 0, no 2nd irregular
+  }
+
+
+
+
+
+
+  // create procs and outbuf for All2all if necesary
+
+  if (!outorder) {
+    memory->create(procs_a2a,nprocs,"rendezvous_a2a:procs");
+
+    outbuf_a2a = (char *) memory->smalloc((bigint) nrvous_out*outsize,
+                                          "rendezvous:outbuf");
+    memory->create(offsets,nprocs,"rendezvous:offsets");
+
+    for (int i = 0; i < nprocs; i++) procs_a2a[i] = 0;
+    for (int i = 0; i < nrvous_out; i++) procs_a2a[procs_rvous[i]]++;
+
+    offsets[0] = 0;
+    for (int i = 1; i < nprocs; i++)
+      offsets[i] = offsets[i-1] + outsize*procs_a2a[i-1];
+
+    bigint offset = 0;
+    for (int i = 0; i < nrvous_out; i++) {
+      iproc = procs_rvous[i];
+      memcpy(&outbuf_a2a[offsets[iproc]],&outbuf_rvous[offset],outsize);
+      offsets[iproc] += outsize;
+      offset += outsize;
+    }
+
+    all2all2_bytes = nprocs*sizeof(int) + nprocs*sizeof(bigint) +
+      nrvous_out*outsize;
+
+  } else {
+    procs_a2a = procs_rvous;
+    outbuf_a2a = outbuf_rvous;
+    all2all2_bytes = 0;
+  }
+
+  // comm outbuf from rendezvous decomposition back to caller
+
+  memcpy(sendcount,procs_a2a,nprocs*sizeof(int));
+
+  MPI_Alltoall(sendcount,1,MPI_INT,recvcount,1,MPI_INT,world);
+
+  sdispls[0] = rdispls[0] = 0;
+  for (int i = 1; i < nprocs; i++) {
+    sdispls[i] = sdispls[i-1] + sendcount[i-1];
+    rdispls[i] = rdispls[i-1] + recvcount[i-1];
+  }
+  int nout = rdispls[nprocs-1] + recvcount[nprocs-1];
+
+  // test for overflow of outbuf due to imbalance or outsize
+  // means that individual sdispls or rdispls values overflow
+
+  overflow = 0;
+  if ((bigint) nrvous*outsize > MAXSMALLINT) overflow = 1;
+  if ((bigint) nout*outsize > MAXSMALLINT) overflow = 1;
+  MPI_Allreduce(&overflow,&overflowall,1,MPI_INT,MPI_MAX,world);
+  if (overflowall) error->all(FLERR,"Overflow output in rendezvous_a2a");
+
+  for (int i = 0; i < nprocs; i++) {
+    sendcount[i] *= outsize;
+    sdispls[i] *= outsize;
+    recvcount[i] *= outsize;
+    rdispls[i] *= outsize;
+  }
+
+  // all2all comm of outbuf from rendezvous decomp back to caller decomp
+  // caller will free outbuf
+
+  outbuf = (char *) memory->smalloc((bigint) nout*outsize,"rendezvous:outbuf");
+
+  MPI_Alltoallv(outbuf_a2a,sendcount,sdispls,MPI_CHAR,
+                outbuf,recvcount,rdispls,MPI_CHAR,world);
+
+  memory->destroy(procs_rvous);
+  memory->sfree(outbuf_rvous);
+
+  if (!outorder) {
+    memory->destroy(procs_a2a);
+    memory->sfree(outbuf_a2a);
+    memory->destroy(offsets);
+  }
+
+  // clean up
+
+  memory->destroy(sendcount);
+  memory->destroy(recvcount);
+  memory->destroy(sdispls);
+  memory->destroy(rdispls);
+
+  // return number of output datums
+  // last arg to stats() = mem for procs_rvous + per-proc vecs + reordering ops
+
+  if (statflag) rendezvous_stats(n,nout,nrvous,nrvous_out,insize,outsize,
+                                 (bigint) nrvous_out*sizeof(int) +
+                                 4*nprocs*sizeof(int) +
+                                 MAX(all2all1_bytes,all2all2_bytes));
+  return nout;
+}
+
+/* ----------------------------------------------------------------------
+   print balance and memory info for rendezvous operation
+   useful for debugging
+------------------------------------------------------------------------- */
+
+void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out,
+                            int insize, int outsize, bigint commsize)
+{
+  bigint size_in_all,size_in_max,size_in_min;
+  bigint size_out_all,size_out_max,size_out_min;
+  bigint size_inrvous_all,size_inrvous_max,size_inrvous_min;
+  bigint size_outrvous_all,size_outrvous_max,size_outrvous_min;
+  bigint size_comm_all,size_comm_max,size_comm_min;
+
+  bigint size = (bigint) n*insize;
+  MPI_Allreduce(&size,&size_in_all,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&size,&size_in_max,1,MPI_LMP_BIGINT,MPI_MAX,world);
+  MPI_Allreduce(&size,&size_in_min,1,MPI_LMP_BIGINT,MPI_MIN,world);
+
+  size = (bigint) nout*outsize;
+  MPI_Allreduce(&size,&size_out_all,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&size,&size_out_max,1,MPI_LMP_BIGINT,MPI_MAX,world);
+  MPI_Allreduce(&size,&size_out_min,1,MPI_LMP_BIGINT,MPI_MIN,world);
+
+  size = (bigint) nrvous*insize;
+  MPI_Allreduce(&size,&size_inrvous_all,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&size,&size_inrvous_max,1,MPI_LMP_BIGINT,MPI_MAX,world);
+  MPI_Allreduce(&size,&size_inrvous_min,1,MPI_LMP_BIGINT,MPI_MIN,world);
+
+  size = (bigint) nrvous_out*insize;
+  MPI_Allreduce(&size,&size_outrvous_all,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&size,&size_outrvous_max,1,MPI_LMP_BIGINT,MPI_MAX,world);
+  MPI_Allreduce(&size,&size_outrvous_min,1,MPI_LMP_BIGINT,MPI_MIN,world);
+
+  size = commsize;
+  MPI_Allreduce(&size,&size_comm_all,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  MPI_Allreduce(&size,&size_comm_max,1,MPI_LMP_BIGINT,MPI_MAX,world);
+  MPI_Allreduce(&size,&size_comm_min,1,MPI_LMP_BIGINT,MPI_MIN,world);
+
+  int mbytes = 1024*1024;
+
+  if (me == 0) {
+    if (screen) {
+      fprintf(screen,"Rendezvous balance and memory info: (tot,ave,max,min) \n");
+      fprintf(screen,"  input datum count: "
+              BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
+              size_in_all/insize,1.0*size_in_all/nprocs/insize,
+              size_in_max/insize,size_in_min/insize);
+      fprintf(screen,"  input data (MB): %g %g %g %g\n",
+              1.0*size_in_all/mbytes,1.0*size_in_all/nprocs/mbytes,
+              1.0*size_in_max/mbytes,1.0*size_in_min/mbytes);
+      if (outsize)
+        fprintf(screen,"  output datum count: "
+                BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
+                size_out_all/outsize,1.0*size_out_all/nprocs/outsize,
+                size_out_max/outsize,size_out_min/outsize);
+      else
+        fprintf(screen,"  output datum count: %d %g %d %d\n",0,0.0,0,0);
+      fprintf(screen,"  output data (MB): %g %g %g %g\n",
+              1.0*size_out_all/mbytes,1.0*size_out_all/nprocs/mbytes,
+              1.0*size_out_max/mbytes,1.0*size_out_min/mbytes);
+      fprintf(screen,"  input rvous datum count: "
+              BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
+              size_inrvous_all/insize,1.0*size_inrvous_all/nprocs/insize,
+              size_inrvous_max/insize,size_inrvous_min/insize);
+      fprintf(screen,"  input rvous data (MB): %g %g %g %g\n",
+              1.0*size_inrvous_all/mbytes,1.0*size_inrvous_all/nprocs/mbytes,
+              1.0*size_inrvous_max/mbytes,1.0*size_inrvous_min/mbytes);
+      if (outsize)
+        fprintf(screen,"  output rvous datum count: "
+                BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
+                size_outrvous_all/outsize,1.0*size_outrvous_all/nprocs/outsize,
+                size_outrvous_max/outsize,size_outrvous_min/outsize);
+      else
+        fprintf(screen,"  output rvous datum count: %d %g %d %d\n",0,0.0,0,0);
+      fprintf(screen,"  output rvous data (MB): %g %g %g %g\n",
+              1.0*size_outrvous_all/mbytes,1.0*size_outrvous_all/nprocs/mbytes,
+              1.0*size_outrvous_max/mbytes,1.0*size_outrvous_min/mbytes);
+      fprintf(screen,"  rvous comm (MB): %g %g %g %g\n",
+              1.0*size_comm_all/mbytes,1.0*size_comm_all/nprocs/mbytes,
+              1.0*size_comm_max/mbytes,1.0*size_comm_min/mbytes);
+    }
+  }
+}
+
 /* ----------------------------------------------------------------------
    proc 0 reads Nlines from file into buf and bcasts buf to all procs
    caller allocates buf to max size needed
diff --git a/src/comm.h b/src/comm.h
index 2579f9b283bd5bbab6d09d9c207265fd241f6ced..30360b1059be7e87743a0a25baddc38395719a33 100644
--- a/src/comm.h
+++ b/src/comm.h
@@ -109,6 +109,10 @@ class Comm : protected Pointers {
 
   void ring(int, int, void *, int, void (*)(int, char *, void *),
             void *, void *, int self = 1);
+  int rendezvous(int, int, char *, int, int, int *,
+                 int (*)(int, char *, int &, int *&, char *&, void *),
+                 int, char *&, int, void *, int statflag=0);
+
   int read_lines_from_file(FILE *, int, int, char *);
   int read_lines_from_file_universe(FILE *, int, int, char *);
 
@@ -142,6 +146,15 @@ class Comm : protected Pointers {
   int ncores;                       // # of cores per node
   int coregrid[3];                  // 3d grid of cores within a node
   int user_coregrid[3];             // user request for cores in each dim
+
+  int rendezvous_irregular(int, char *, int, int, int *,
+                           int (*)(int, char *, int &, int *&, char *&, void *),
+                           int, char *&, int, void *, int);
+  int rendezvous_all2all(int, char *, int, int, int *,
+                         int (*)(int, char *, int &, int *&, char *&, void *),
+                         int, char *&, int, void *, int);
+  void rendezvous_stats(int, int, int, int, int, int, bigint);
+
  public:
   enum{MULTIPLE};
 };
diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp
index bf7f3e2f8fa9b0b7d62692a5d9ab69ae7f50b767..330551aaed74ff5b0861606aaa99038d9a67f79a 100644
--- a/src/comm_brick.cpp
+++ b/src/comm_brick.cpp
@@ -1069,6 +1069,7 @@ void CommBrick::reverse_comm_fix_variable(Fix *fix)
       MPI_Sendrecv(&nsend,1,MPI_INT,recvproc[iswap],0,
                    &nrecv,1,MPI_INT,sendproc[iswap],0,world,
                    MPI_STATUS_IGNORE);
+
       if (sendnum[iswap]) {
         if (nrecv > maxrecv) grow_recv(nrecv);
         MPI_Irecv(buf_recv,maxrecv,MPI_DOUBLE,sendproc[iswap],0,
diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp
index d7d2e4725d10f67b13e62c5437a73ffebaa43748..d1d625445a0d9539eb1b220630316ed5449d65b3 100644
--- a/src/comm_tiled.cpp
+++ b/src/comm_tiled.cpp
@@ -512,7 +512,7 @@ void CommTiled::forward_comm(int /*dummy*/)
                     MPI_DOUBLE,recvproc[iswap][i],0,world,&requests[i]);
       }
       if (sendother[iswap]) {
-        for (i = 0; i < nsendproc[iswap]; i++) {
+        for (i = 0; i < nsend; i++) {
           n = avec->pack_comm(sendnum[iswap][i],sendlist[iswap][i],
                               buf_send,pbc_flag[iswap][i],pbc[iswap][i]);
           MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap][i],0,world);
diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp
index 641784fe036ae97a35a8343f70ad6394979e8df1..11962116651b5fd1bd7a99ac78b5aeea414cc6e4 100644
--- a/src/compute_angle_local.cpp
+++ b/src/compute_angle_local.cpp
@@ -88,7 +88,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
         int n = strlen(arg[iarg+2]) + 1;
         tstr = new char[n];
         strcpy(tstr,arg[iarg+2]);
-	tflag = 1;
+        tflag = 1;
       } else error->all(FLERR,"Illegal compute angle/local command");
       iarg += 3;
     } else error->all(FLERR,"Illegal compute angle/local command");
@@ -102,9 +102,9 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,"Variable name for copute angle/local does not exist");
+        error->all(FLERR,"Variable name for copute angle/local does not exist");
       if (!input->variable->equalstyle(vvar[i]))
-	error->all(FLERR,"Variable for compute angle/local is invalid style");
+        error->all(FLERR,"Variable for compute angle/local is invalid style");
     }
 
     if (tstr) {
@@ -153,7 +153,7 @@ void ComputeAngleLocal::init()
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,"Variable name for compute angle/local does not exist");
+        error->all(FLERR,"Variable name for compute angle/local does not exist");
     }
 
     if (tstr) {
@@ -261,53 +261,53 @@ int ComputeAngleLocal::compute_angles(int flag)
       // theta needed by one or more outputs
 
       if (tflag) {
-	delx1 = x[atom1][0] - x[atom2][0];
-	dely1 = x[atom1][1] - x[atom2][1];
-	delz1 = x[atom1][2] - x[atom2][2];
-	domain->minimum_image(delx1,dely1,delz1);
-
-	rsq1 = delx1*delx1 + dely1*dely1 + delz1*delz1;
-	r1 = sqrt(rsq1);
-	
-	delx2 = x[atom3][0] - x[atom2][0];
-	dely2 = x[atom3][1] - x[atom2][1];
-	delz2 = x[atom3][2] - x[atom2][2];
-	domain->minimum_image(delx2,dely2,delz2);
-
-	rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2;
-	r2 = sqrt(rsq2);
-
-	// c = cosine of angle
-	// theta = angle in radians
-
-	c = delx1*delx2 + dely1*dely2 + delz1*delz2;
-	c /= r1*r2;
-	if (c > 1.0) c = 1.0;
-	if (c < -1.0) c = -1.0;
-	theta = acos(c);
+        delx1 = x[atom1][0] - x[atom2][0];
+        dely1 = x[atom1][1] - x[atom2][1];
+        delz1 = x[atom1][2] - x[atom2][2];
+        domain->minimum_image(delx1,dely1,delz1);
+
+        rsq1 = delx1*delx1 + dely1*dely1 + delz1*delz1;
+        r1 = sqrt(rsq1);
+
+        delx2 = x[atom3][0] - x[atom2][0];
+        dely2 = x[atom3][1] - x[atom2][1];
+        delz2 = x[atom3][2] - x[atom2][2];
+        domain->minimum_image(delx2,dely2,delz2);
+
+        rsq2 = delx2*delx2 + dely2*dely2 + delz2*delz2;
+        r2 = sqrt(rsq2);
+
+        // c = cosine of angle
+        // theta = angle in radians
+
+        c = delx1*delx2 + dely1*dely2 + delz1*delz2;
+        c /= r1*r2;
+        if (c > 1.0) c = 1.0;
+        if (c < -1.0) c = -1.0;
+        theta = acos(c);
       }
 
       if (nvalues == 1) ptr = &vlocal[m];
       else ptr = alocal[m];
 
       if (nvar) {
-	ivar = 0;
-	if (tstr) input->variable->internal_set(tvar,theta);
+        ivar = 0;
+        if (tstr) input->variable->internal_set(tvar,theta);
       }
 
       for (n = 0; n < nvalues; n++) {
-	switch (bstyle[n]) {
-	case THETA:
-	  ptr[n] = 180.0*theta/MY_PI;
-	  break;
-	case ENG:
-	  if (atype > 0) ptr[n] = angle->single(atype,atom1,atom2,atom3);
-	  else ptr[n] = 0.0;
-	  break;
-	case VARIABLE:
-	  ptr[n] = input->variable->compute_equal(vvar[ivar]);
-	  ivar++;
-	  break;
+        switch (bstyle[n]) {
+        case THETA:
+          ptr[n] = 180.0*theta/MY_PI;
+          break;
+        case ENG:
+          if (atype > 0) ptr[n] = angle->single(atype,atom1,atom2,atom3);
+          else ptr[n] = 0.0;
+          break;
+        case VARIABLE:
+          ptr[n] = input->variable->compute_equal(vvar[ivar]);
+          ivar++;
+          break;
         }
       }
 
diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp
index adbbde1a0cb43acacd3d0415aefdd659e9e07c29..ccdd3ee77c9cd9a43c73ff08b4292f7ccc6df625 100644
--- a/src/compute_bond_local.cpp
+++ b/src/compute_bond_local.cpp
@@ -105,9 +105,9 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,"Variable name for copute bond/local does not exist");
+        error->all(FLERR,"Variable name for copute bond/local does not exist");
       if (!input->variable->equalstyle(vvar[i]))
-	error->all(FLERR,"Variable for compute bond/local is invalid style");
+        error->all(FLERR,"Variable for compute bond/local is invalid style");
     }
 
     if (dstr) {
@@ -168,7 +168,7 @@ void ComputeBondLocal::init()
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,"Variable name for compute bond/local does not exist");
+        error->all(FLERR,"Variable name for compute bond/local does not exist");
     }
 
     if (dstr) {
@@ -377,10 +377,10 @@ int ComputeBondLocal::compute_bonds(int flag)
         if (nvalues == 1) ptr = &vlocal[m];
         else ptr = alocal[m];
 
-	if (nvar) {
-	  ivar = 0;
-	  if (dstr) input->variable->internal_set(dvar,sqrt(rsq));
-	}
+        if (nvar) {
+          ivar = 0;
+          if (dstr) input->variable->internal_set(dvar,sqrt(rsq));
+        }
 
         for (n = 0; n < nvalues; n++) {
           switch (bstyle[n]) {
@@ -408,10 +408,10 @@ int ComputeBondLocal::compute_bonds(int flag)
           case VELVIB:
             ptr[n] = vvib;
             break;
-	  case VARIABLE:
-	    ptr[n] = input->variable->compute_equal(vvar[ivar]);
-	    ivar++;
-	    break;
+          case VARIABLE:
+            ptr[n] = input->variable->compute_equal(vvar[ivar]);
+            ivar++;
+            break;
           }
         }
       }
diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp
index 36fad5cca15347fd3ee6686df94c9126c845c0a9..3d0cea1adddf7817f36e6b7966e7e9d88c0b84ed 100644
--- a/src/compute_chunk_spread_atom.cpp
+++ b/src/compute_chunk_spread_atom.cpp
@@ -71,7 +71,7 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
     ids[nvalues] = NULL;
 
     if (strncmp(arg[iarg],"c_",2) == 0 ||
-	strncmp(arg[iarg],"f_",2) == 0) {
+        strncmp(arg[iarg],"f_",2) == 0) {
       if (arg[iarg][0] == 'c') which[nvalues] = COMPUTE;
       else if (arg[iarg][0] == 'f') which[nvalues] = FIX;
 
@@ -123,15 +123,15 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
                    "does not calculate per-chunk values");
 
       if (argindex[i] == 0) {
-	if (!modify->compute[icompute]->vector_flag)
-	  error->all(FLERR,"Compute chunk/spread/atom compute "
+        if (!modify->compute[icompute]->vector_flag)
+          error->all(FLERR,"Compute chunk/spread/atom compute "
                      "does not calculate global vector");
       } else {
-	if (!modify->compute[icompute]->array_flag)
-	  error->all(FLERR,"Compute chunk/spread/atom compute "
+        if (!modify->compute[icompute]->array_flag)
+          error->all(FLERR,"Compute chunk/spread/atom compute "
                      "does not calculate global array");
-	if (argindex[i] > modify->compute[icompute]->size_array_cols)
-	  error->all(FLERR,"Compute chunk/spread/atom compute array "
+        if (argindex[i] > modify->compute[icompute]->size_array_cols)
+          error->all(FLERR,"Compute chunk/spread/atom compute array "
                      "is accessed out-of-range");
       }
 
@@ -140,15 +140,15 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
       if (ifix < 0)
         error->all(FLERR,"Fix ID for compute chunk/spread/atom does not exist");
       if (argindex[i] == 0) {
-	if (!modify->fix[ifix]->vector_flag)
-	  error->all(FLERR,"Compute chunk/spread/atom fix "
+        if (!modify->fix[ifix]->vector_flag)
+          error->all(FLERR,"Compute chunk/spread/atom fix "
                      "does not calculate global vector");
       } else {
-	if (!modify->fix[ifix]->array_flag)
-	  error->all(FLERR,"Compute chunk/spread/atom fix "
+        if (!modify->fix[ifix]->array_flag)
+          error->all(FLERR,"Compute chunk/spread/atom fix "
                      "does not calculate global array");
-	if (argindex[i] > modify->fix[ifix]->size_array_cols)
-	  error->all(FLERR,"Compute chunk/spread/atom fix array "
+        if (argindex[i] > modify->fix[ifix]->size_array_cols)
+          error->all(FLERR,"Compute chunk/spread/atom fix array "
                      "is accessed out-of-range");
       }
     }
@@ -281,14 +281,14 @@ void ComputeChunkSpreadAtom::compute_peratom()
           compute->compute_vector();
           compute->invoked_flag |= INVOKED_VECTOR;
         }
-	double *cvector = compute->vector;
-	for (i = 0; i < nlocal; i++, ptr += nstride) {
-	  *ptr = 0.0;
-	  if (!(mask[i] & groupbit)) continue;
-	  index = ichunk[i]-1;
-	  if (index < 0 || index >= nchunk) continue;
-	  *ptr = cvector[index];
-	}
+        double *cvector = compute->vector;
+        for (i = 0; i < nlocal; i++, ptr += nstride) {
+          *ptr = 0.0;
+          if (!(mask[i] & groupbit)) continue;
+          index = ichunk[i]-1;
+          if (index < 0 || index >= nchunk) continue;
+          *ptr = cvector[index];
+        }
 
       } else {
         if (!(compute->invoked_flag & INVOKED_ARRAY)) {
@@ -297,13 +297,13 @@ void ComputeChunkSpreadAtom::compute_peratom()
         }
         int icol = argindex[m]-1;
         double **carray = compute->array;
-	for (i = 0; i < nlocal; i++, ptr += nstride) {
-	  *ptr = 0.0;
-	  if (!(mask[i] & groupbit)) continue;
-	  index = ichunk[i]-1;
-	  if (index < 0 || index >= nchunk) continue;
-	  *ptr = carray[index][icol];
-	}
+        for (i = 0; i < nlocal; i++, ptr += nstride) {
+          *ptr = 0.0;
+          if (!(mask[i] & groupbit)) continue;
+          index = ichunk[i]-1;
+          if (index < 0 || index >= nchunk) continue;
+          *ptr = carray[index][icol];
+        }
       }
 
     // access fix data, check if fix frequency is a match
diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp
index 33b318ea17247718049eda4c4230df46f4f4dec9..54f4c70c7116c27ab9f95febe14a3d5e4ebdf6e4 100644
--- a/src/compute_coord_atom.cpp
+++ b/src/compute_coord_atom.cpp
@@ -25,6 +25,7 @@
 #include "force.h"
 #include "pair.h"
 #include "comm.h"
+#include "group.h"
 #include "memory.h"
 #include "error.h"
 
@@ -37,10 +38,12 @@ using namespace LAMMPS_NS;
 ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
   Compute(lmp, narg, arg),
   typelo(NULL), typehi(NULL), cvec(NULL), carray(NULL),
-  id_orientorder(NULL), normv(NULL)
+  group2(NULL), id_orientorder(NULL), normv(NULL)
 {
   if (narg < 5) error->all(FLERR,"Illegal compute coord/atom command");
 
+  jgroup = group->find("all");
+  jgroupbit = group->bitmask[jgroup];
   cstyle = NONE;
 
   if (strcmp(arg[3],"cutoff") == 0) {
@@ -48,18 +51,29 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
     double cutoff = force->numeric(FLERR,arg[4]);
     cutsq = cutoff*cutoff;
 
-    ncol = narg-5 + 1;
+    int iarg = 5;
+    if ((narg > 6) && (strcmp(arg[5],"group") == 0)) {
+      int len = strlen(arg[6])+1;
+      group2 = new char[len];
+      strcpy(group2,arg[6]);
+      iarg += 2;
+      jgroup = group->find(group2);
+      if (jgroup == -1)
+        error->all(FLERR,"Compute coord/atom group2 ID does not exist");
+      jgroupbit = group->bitmask[jgroup];
+    }
+
+    ncol = narg-iarg + 1;
     int ntypes = atom->ntypes;
     typelo = new int[ncol];
     typehi = new int[ncol];
 
-    if (narg == 5) {
+    if (narg == iarg) {
       ncol = 1;
       typelo[0] = 1;
       typehi[0] = ntypes;
     } else {
       ncol = 0;
-      int iarg = 5;
       while (iarg < narg) {
         force->bounds(FLERR,arg[iarg],ntypes,typelo[ncol],typehi[ncol]);
         if (typelo[ncol] > typehi[ncol])
@@ -106,6 +120,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
 
 ComputeCoordAtom::~ComputeCoordAtom()
 {
+  delete [] group2;
   delete [] typelo;
   delete [] typehi;
   memory->destroy(cvec);
@@ -143,12 +158,6 @@ void ComputeCoordAtom::init()
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
   neighbor->requests[irequest]->occasional = 1;
-
-  int count = 0;
-  for (int i = 0; i < modify->ncompute; i++)
-    if (strcmp(modify->compute[i]->style,"coord/atom") == 0) count++;
-  if (count > 1 && comm->me == 0)
-    error->warning(FLERR,"More than one compute coord/atom");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -229,13 +238,15 @@ void ComputeCoordAtom::compute_peratom()
             j = jlist[jj];
             j &= NEIGHMASK;
 
-            jtype = type[j];
-            delx = xtmp - x[j][0];
-            dely = ytmp - x[j][1];
-            delz = ztmp - x[j][2];
-            rsq = delx*delx + dely*dely + delz*delz;
-            if (rsq < cutsq && jtype >= typelo[0] && jtype <= typehi[0])
-              n++;
+            if (mask[j] & jgroupbit) {
+              jtype = type[j];
+              delx = xtmp - x[j][0];
+              dely = ytmp - x[j][1];
+              delz = ztmp - x[j][2];
+              rsq = delx*delx + dely*dely + delz*delz;
+              if (rsq < cutsq && jtype >= typelo[0] && jtype <= typehi[0])
+                n++;
+            }
           }
 
           cvec[i] = n;
diff --git a/src/compute_coord_atom.h b/src/compute_coord_atom.h
index 2bbc1b67208bd75c9c7d12f11e903931df633642..2a54613cc626d80baf9abe9c8a5ce1dd5a3fd582 100644
--- a/src/compute_coord_atom.h
+++ b/src/compute_coord_atom.h
@@ -45,6 +45,9 @@ class ComputeCoordAtom : public Compute {
   double *cvec;
   double **carray;
 
+  char *group2;
+  int jgroup,jgroupbit;
+
   class ComputeOrientOrderAtom *c_orientorder;
   char *id_orientorder;
   double threshold;
@@ -94,8 +97,4 @@ E: Compute coord/atom cutoff is longer than pairwise cutoff
 Cannot compute coordination at distances longer than the pair cutoff,
 since those atoms are not in the neighbor list.
 
-W: More than one compute coord/atom
-
-It is not efficient to use compute coord/atom more than once.
-
 */
diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp
index 9e18d03f9f01695f1c03cf4d7a289798ada86037..9efdd61cb85791599fe977a49478a9c6730ece48 100644
--- a/src/compute_dihedral_local.cpp
+++ b/src/compute_dihedral_local.cpp
@@ -101,10 +101,10 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,
+        error->all(FLERR,
                    "Variable name for copute dihedral/local does not exist");
       if (!input->variable->equalstyle(vvar[i]))
-	error->all(FLERR,"Variable for compute dihedral/local is invalid style");
+        error->all(FLERR,"Variable for compute dihedral/local is invalid style");
     }
 
     if (pstr) {
@@ -154,7 +154,7 @@ void ComputeDihedralLocal::init()
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-	error->all(FLERR,
+        error->all(FLERR,
                    "Variable name for compute dihedral/local does not exist");
     }
 
@@ -307,19 +307,19 @@ int ComputeDihedralLocal::compute_dihedrals(int flag)
       else ptr = alocal[m];
 
       if (nvar) {
-	ivar = 0;
-	if (pstr) input->variable->internal_set(pvar,phi);
+        ivar = 0;
+        if (pstr) input->variable->internal_set(pvar,phi);
       }
 
       for (n = 0; n < nvalues; n++) {
-	switch (bstyle[n]) {
-	case PHI:
-	  ptr[n] = 180.0*phi/MY_PI;
-	  break;
-	case VARIABLE:
-	  ptr[n] = input->variable->compute_equal(vvar[ivar]);
-	  ivar++;
-	  break;
+        switch (bstyle[n]) {
+        case PHI:
+          ptr[n] = 180.0*phi/MY_PI;
+          break;
+        case VARIABLE:
+          ptr[n] = input->variable->compute_equal(vvar[ivar]);
+          ivar++;
+          break;
         }
       }
 
diff --git a/src/compute_improper_local.cpp b/src/compute_improper_local.cpp
index f54cb67535e2e1eed7ce88253b1a0284bdffe0cf..2861850c7972147e04d755f7cf35a9ff5b57cb89 100644
--- a/src/compute_improper_local.cpp
+++ b/src/compute_improper_local.cpp
@@ -46,9 +46,6 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
 
   local_flag = 1;
   nvalues = narg - 3;
-  if (nvalues == 1) size_local_cols = 0;
-  else size_local_cols = nvalues;
-
   cflag = -1;
   nvalues = 0;
 
@@ -57,6 +54,9 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
     else error->all(FLERR,"Invalid keyword in compute improper/local command");
   }
 
+  if (nvalues == 1) size_local_cols = 0;
+  else size_local_cols = nvalues;
+
   nmax = 0;
   vlocal = NULL;
   alocal = NULL;
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index e4cbabfd3d34496498f9e122f0384c84cd90a0c8..c356a08be9ee8d62fc180e189dbd69d0c2d877e6 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -43,9 +43,6 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
 
   local_flag = 1;
   nvalues = narg - 3;
-  if (nvalues == 1) size_local_cols = 0;
-  else size_local_cols = nvalues;
-
   pstyle = new int[nvalues];
   pindex = new int[nvalues];
 
@@ -96,6 +93,9 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
   for (int i = 0; i < nvalues; i++)
     if (pstyle[i] != DIST) singleflag = 1;
 
+  if (nvalues == 1) size_local_cols = 0;
+  else size_local_cols = nvalues;
+
   nmax = 0;
   vlocal = NULL;
   alocal = NULL;
diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp
index 862a66e3f947312e68a649ccbae0e196413be89b..0b57840696bae1261c223ab1616986aea117a153 100644
--- a/src/compute_property_atom.cpp
+++ b/src/compute_property_atom.cpp
@@ -141,7 +141,7 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Compute property/atom for "
                    "atom property that isn't allocated");
       pack_choice[i] = &ComputePropertyAtom::pack_mu;
-    } else if (strcmp(arg[iarg],"spx") == 0) { 		// pack magnetic variables
+    } else if (strcmp(arg[iarg],"spx") == 0) {          // pack magnetic variables
       if (!atom->sp_flag)
         error->all(FLERR,"Compute property/atom for "
                    "atom property that isn't allocated");
diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h
index 0c1ed7e305a8bd377b2a759e41cddc8ab9812d17..eb002457fbc7b89f5c3dc4e4ba74d9648a3ef4d7 100644
--- a/src/compute_property_atom.h
+++ b/src/compute_property_atom.h
@@ -84,7 +84,9 @@ class ComputePropertyAtom : public Compute {
   void pack_radius(int);
   void pack_diameter(int);
 
-  void pack_spx(int);		// pack magnetic variables
+  // pack magnetic variables
+
+  void pack_spx(int);
   void pack_spy(int);
   void pack_spz(int);
   void pack_sp(int);
diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp
index 71a142311a6a35e1b04b9e6041fb5e1c1691f449..7a8603459de668bded1d8b206fda3f4cc382eee6 100644
--- a/src/create_atoms.cpp
+++ b/src/create_atoms.cpp
@@ -536,9 +536,6 @@ void CreateAtoms::command(int narg, char **arg)
     if (domain->triclinic) domain->lamda2x(atom->nlocal);
   }
 
-  MPI_Barrier(world);
-  double time2 = MPI_Wtime();
-
   // clean up
 
   delete ranmol;
@@ -549,30 +546,34 @@ void CreateAtoms::command(int narg, char **arg)
   delete [] zstr;
   memory->destroy(flag);
 
+  // for MOLECULE mode:
+  // create special bond lists for molecular systems,
+  //   but not for atom style template
+  // only if onemol added bonds but not special info
+
+  if (mode == MOLECULE) {
+    if (atom->molecular == 1 && onemol->bondflag && !onemol->specialflag) {
+      Special special(lmp);
+      special.build();
+
+    }
+  }
+
   // print status
 
+  MPI_Barrier(world);
+  double time2 = MPI_Wtime();
+
   if (me == 0) {
     if (screen) {
       fprintf(screen,"Created " BIGINT_FORMAT " atoms\n",
               atom->natoms-natoms_previous);
-      fprintf(screen,"  Time spent = %g secs\n",time2-time1);
+      fprintf(screen,"  create_atoms CPU = %g secs\n",time2-time1);
     }
     if (logfile) {
       fprintf(logfile,"Created " BIGINT_FORMAT " atoms\n",
               atom->natoms-natoms_previous);
-      fprintf(logfile,"  Time spent = %g secs\n",time2-time1);
-    }
-  }
-
-  // for MOLECULE mode:
-  // create special bond lists for molecular systems,
-  //   but not for atom style template
-  // only if onemol added bonds but not special info
-
-  if (mode == MOLECULE) {
-    if (atom->molecular == 1 && onemol->bondflag && !onemol->specialflag) {
-      Special special(lmp);
-      special.build();
+      fprintf(logfile,"  create_atoms CPU = %g secs\n",time2-time1);
     }
   }
 }
@@ -728,6 +729,26 @@ void CreateAtoms::add_lattice()
     bboxlo[2] = domain->sublo[2]; bboxhi[2] = domain->subhi[2];
   } else domain->bbox(domain->sublo_lamda,domain->subhi_lamda,bboxlo,bboxhi);
 
+  // narrow down the subbox by the bounding box of the given region, if available.
+  // for small regions in large boxes, this can result in a significant speedup
+
+  if ((style == REGION) && domain->regions[nregion]->bboxflag) {
+
+    const double rxmin = domain->regions[nregion]->extent_xlo;
+    const double rxmax = domain->regions[nregion]->extent_xhi;
+    const double rymin = domain->regions[nregion]->extent_ylo;
+    const double rymax = domain->regions[nregion]->extent_yhi;
+    const double rzmin = domain->regions[nregion]->extent_zlo;
+    const double rzmax = domain->regions[nregion]->extent_zhi;
+
+    if (rxmin > bboxlo[0]) bboxlo[0] = (rxmin > bboxhi[0]) ? bboxhi[0] : rxmin;
+    if (rxmax < bboxhi[0]) bboxhi[0] = (rxmax < bboxlo[0]) ? bboxlo[0] : rxmax;
+    if (rymin > bboxlo[1]) bboxlo[1] = (rymin > bboxhi[1]) ? bboxhi[1] : rymin;
+    if (rymax < bboxhi[1]) bboxhi[1] = (rymax < bboxlo[1]) ? bboxlo[1] : rymax;
+    if (rzmin > bboxlo[2]) bboxlo[2] = (rzmin > bboxhi[2]) ? bboxhi[2] : rzmin;
+    if (rzmax < bboxhi[2]) bboxhi[2] = (rzmax < bboxlo[2]) ? bboxlo[2] : rzmax;
+  }
+
   double xmin,ymin,zmin,xmax,ymax,zmax;
   xmin = ymin = zmin = BIG;
   xmax = ymax = zmax = -BIG;
diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index ec713b8b841a454bc03e0194d00c4c2f95ff4d93..41df167f0795113661d07eda0ab8989c5582f332 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -16,6 +16,10 @@
 #include "delete_atoms.h"
 #include "atom.h"
 #include "atom_vec.h"
+#include "atom_vec_ellipsoid.h"
+#include "atom_vec_line.h"
+#include "atom_vec_tri.h"
+#include "atom_vec_body.h"
 #include "molecule.h"
 #include "comm.h"
 #include "domain.h"
@@ -121,11 +125,39 @@ void DeleteAtoms::command(int narg, char **arg)
   }
 
   // reset atom->natoms and also topology counts
-  // reset atom->map if it exists
-  // set nghost to 0 so old ghosts of deleted atoms won't be mapped
 
   bigint nblocal = atom->nlocal;
   MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
+
+  // reset bonus data counts
+
+  AtomVecEllipsoid *avec_ellipsoid =
+    (AtomVecEllipsoid *) atom->style_match("ellipsoid");
+  AtomVecLine *avec_line = (AtomVecLine *) atom->style_match("line");
+  AtomVecTri *avec_tri = (AtomVecTri *) atom->style_match("tri");
+  AtomVecBody *avec_body = (AtomVecBody *) atom->style_match("body");
+  bigint nlocal_bonus;
+
+  if (atom->nellipsoids > 0) {
+    nlocal_bonus = avec_ellipsoid->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->nellipsoids,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+  if (atom->nlines > 0) {
+    nlocal_bonus = avec_line->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->nlines,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+  if (atom->ntris > 0) {
+    nlocal_bonus = avec_tri->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->ntris,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+  if (atom->nbodies > 0) {
+    nlocal_bonus = avec_body->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->nbodies,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+
+  // reset atom->map if it exists
+  // set nghost to 0 so old ghosts of deleted atoms won't be mapped
+
   if (atom->map_style) {
     atom->nghost = 0;
     atom->map_init();
diff --git a/src/dihedral.h b/src/dihedral.h
index 627104871b9b51f8b13966af119e64a3b12c6f1a..f1b42008bfe81150dae9ef1993667c59c7c052ee 100644
--- a/src/dihedral.h
+++ b/src/dihedral.h
@@ -56,6 +56,10 @@ class Dihedral : protected Pointers {
   int vflag_either,vflag_global,vflag_atom;
   int maxeatom,maxvatom;
 
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, int, double,
                 double *, double *, double *, double, double, double,
diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp
index b9107ac874cc674f01cda6c7fce741f21c58432a..f3e4823d53ede1dd7159b004c2493db4c6d1f2e3 100644
--- a/src/dihedral_hybrid.cpp
+++ b/src/dihedral_hybrid.cpp
@@ -104,8 +104,7 @@ void DihedralHybrid::compute(int eflag, int vflag)
   // set neighbor->dihedrallist to sub-style dihedrallist before call
   // accumulate sub-style global/peratom energy/virial in hybrid
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   for (m = 0; m < nstyles; m++) {
     neighbor->ndihedrallist = ndihedrallist[m];
diff --git a/src/dihedral_zero.cpp b/src/dihedral_zero.cpp
index 46facdb6dbe716471f4004c7d646b49f60cdee01..8145d5f32d0e18341550d92b0f4dbc27b390ec8b 100644
--- a/src/dihedral_zero.cpp
+++ b/src/dihedral_zero.cpp
@@ -44,8 +44,7 @@ DihedralZero::~DihedralZero()
 
 void DihedralZero::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/domain.cpp b/src/domain.cpp
index beaf5fc08eea3d3748c77d000ddba5e54989efe3..74d7560c3114417a9c2283622f53a4c457728d07 100644
--- a/src/domain.cpp
+++ b/src/domain.cpp
@@ -40,6 +40,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -57,6 +58,7 @@ Domain::Domain(LAMMPS *lmp) : Pointers(lmp)
 {
   box_exist = 0;
   box_change = 0;
+  deform_flag = deform_vremap = deform_groupbit = 0;
 
   dimension = 3;
   nonperiodic = 0;
@@ -763,9 +765,9 @@ void Domain::image_check()
         continue;
       }
 
-      delx = unwrap[i][0] - unwrap[k][0];
-      dely = unwrap[i][1] - unwrap[k][1];
-      delz = unwrap[i][2] - unwrap[k][2];
+      delx = fabs(unwrap[i][0] - unwrap[k][0]);
+      dely = fabs(unwrap[i][1] - unwrap[k][1]);
+      delz = fabs(unwrap[i][2] - unwrap[k][2]);
 
       if (xperiodic && delx > xprd_half) flag = 1;
       if (yperiodic && dely > yprd_half) flag = 1;
@@ -1714,6 +1716,9 @@ void Domain::add_region(int narg, char **arg)
     return;
   }
 
+  if (strcmp(arg[1],"none") == 0)
+    error->all(FLERR,"Unrecognized region style 'none'");
+
   if (find_region(arg[0]) >= 0) error->all(FLERR,"Reuse of region ID");
 
   // extend Region list if necessary
@@ -1729,7 +1734,7 @@ void Domain::add_region(int narg, char **arg)
   if (lmp->suffix_enable) {
     if (lmp->suffix) {
       char estyle[256];
-      sprintf(estyle,"%s/%s",arg[1],lmp->suffix);
+      snprintf(estyle,256,"%s/%s",arg[1],lmp->suffix);
       if (region_map->find(estyle) != region_map->end()) {
         RegionCreator region_creator = (*region_map)[estyle];
         regions[nregion] = region_creator(lmp, narg, arg);
@@ -1741,7 +1746,7 @@ void Domain::add_region(int narg, char **arg)
 
     if (lmp->suffix2) {
       char estyle[256];
-      sprintf(estyle,"%s/%s",arg[1],lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",arg[1],lmp->suffix2);
       if (region_map->find(estyle) != region_map->end()) {
         RegionCreator region_creator = (*region_map)[estyle];
         regions[nregion] = region_creator(lmp, narg, arg);
@@ -1752,12 +1757,10 @@ void Domain::add_region(int narg, char **arg)
     }
   }
 
-  if (strcmp(arg[1],"none") == 0) error->all(FLERR,"Unknown region style");
   if (region_map->find(arg[1]) != region_map->end()) {
     RegionCreator region_creator = (*region_map)[arg[1]];
     regions[nregion] = region_creator(lmp, narg, arg);
-  }
-  else error->all(FLERR,"Unknown region style");
+  } else error->all(FLERR,utils::check_packages_for_style("region",arg[1],lmp).c_str());
 
   // initialize any region variables via init()
   // in case region is used between runs, e.g. to print a variable
diff --git a/src/domain.h b/src/domain.h
index 9ebdd6ae9477cec5739992096ea7d5bf5655355a..e131d07a1b8c42bfbc06b1cf163ebf8fd034f2e0 100644
--- a/src/domain.h
+++ b/src/domain.h
@@ -269,7 +269,7 @@ E: Reuse of region ID
 
 A region ID cannot be used twice.
 
-E: Unknown region style
+E: Unrecognized region style
 
 The choice of region style is unknown.
 
diff --git a/src/dump.cpp b/src/dump.cpp
index 7cd80dcf71ac2cc7a964389674983cbcabb7c274..8fa07a9cb257714fdb2412ddfaf4cfdbb6e3d771 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -423,7 +423,12 @@ void Dump::write()
     atom->x = xpbc;
     atom->v = vpbc;
     atom->image = imagepbc;
+
+    // for triclinic, PBC is applied in lamda coordinates
+
+    if (domain->triclinic) domain->x2lamda(nlocal);
     domain->pbc();
+    if (domain->triclinic) domain->lamda2x(nlocal);
   }
 
   // pack my data into buf
diff --git a/src/error.cpp b/src/error.cpp
index 913239ac495638986f9d799f5925078161ac8f79..cc80dcb4d8073c42831894df390fb8e9208eed89 100644
--- a/src/error.cpp
+++ b/src/error.cpp
@@ -72,7 +72,9 @@ void Error::universe_all(const char *file, int line, const char *str)
 #ifdef LAMMPS_EXCEPTIONS
 
   // allow commands if an exception was caught in a run
-  update->whichflag = 0;
+  // update may be NULL when catching command line errors
+
+  if (update) update->whichflag = 0;
 
   char msg[100];
   snprintf(msg, 100, "ERROR: %s (%s:%d)\n", str, truncpath(file), line);
@@ -97,7 +99,9 @@ void Error::universe_one(const char *file, int line, const char *str)
 #ifdef LAMMPS_EXCEPTIONS
 
   // allow commands if an exception was caught in a run
-  update->whichflag = 0;
+  // update may be NULL when catching command line errors
+
+  if (update) update->whichflag = 0;
 
   char msg[100];
   snprintf(msg, 100, "ERROR: %s (%s:%d)\n", str, truncpath(file), line);
@@ -148,7 +152,9 @@ void Error::all(const char *file, int line, const char *str)
 #ifdef LAMMPS_EXCEPTIONS
 
   // allow commands if an exception was caught in a run
-  update->whichflag = 0;
+  // update may be NULL when catching command line errors
+
+  if (update) update->whichflag = 0;
 
   char msg[100];
   snprintf(msg, 100, "ERROR: %s (%s:%d)\n", str, truncpath(file), line);
@@ -198,12 +204,16 @@ void Error::one(const char *file, int line, const char *str)
 #ifdef LAMMPS_EXCEPTIONS
 
   // allow commands if an exception was caught in a run
-  update->whichflag = 0;
+  // update may be NULL when catching command line errors
+
+  if (update) update->whichflag = 0;
 
   char msg[100];
   snprintf(msg, 100, "ERROR on proc %d: %s (%s:%d)\n", me, str, truncpath(file), line);
   throw LAMMPSAbortException(msg, world);
 #else
+  if (screen) fflush(screen);
+  if (logfile) fflush(logfile);
   MPI_Abort(world,1);
 #endif
 }
diff --git a/src/finish.cpp b/src/finish.cpp
index 9ad8b44927d48c28e2e4ea384d607bd59c48b4f5..1baa6d6fda65767c8f9aec34f49a989a8ea8cc63 100644
--- a/src/finish.cpp
+++ b/src/finish.cpp
@@ -176,9 +176,9 @@ void Finish::end(int flag)
           const char fmt2[] =
             "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
           if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,
-                              lmp->kokkos->num_threads);
+                              lmp->kokkos->nthreads);
           if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,
-                               lmp->kokkos->num_threads);
+                               lmp->kokkos->nthreads);
         } else {
 #if defined(_OPENMP)
           const char fmt2[] =
@@ -579,7 +579,7 @@ void Finish::end(int flag)
   }
 #endif
 
-  if (lmp->kokkos && lmp->kokkos->ngpu > 0)
+  if (lmp->kokkos && lmp->kokkos->ngpus > 0)
     if (const char* env_clb = getenv("CUDA_LAUNCH_BLOCKING"))
       if (!(strcmp(env_clb,"1") == 0)) {
         error->warning(FLERR,"Timing breakdown may not be accurate "
diff --git a/src/fix.h b/src/fix.h
index 21dfc955a87b85bed87c4703e2b44d4c6a252d5f..7eaff38bd3aa48030152c02012a75e07ef16be98 100644
--- a/src/fix.h
+++ b/src/fix.h
@@ -223,6 +223,10 @@ class Fix : protected Pointers {
 
   int dynamic;    // recount atoms for temperature computes
 
+  void ev_init(int eflag, int vflag) {
+    if (eflag||vflag) ev_setup(eflag, vflag);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int);
   void ev_tally(int, int *, double, double, double *);
   void v_setup(int);
diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp
index 950bc242534893b23ada9ae57203f428cd467ba0..9a5b528747bf2165266b6e5d46e5c7c2f796fb6e 100644
--- a/src/fix_adapt.cpp
+++ b/src/fix_adapt.cpp
@@ -31,6 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -375,8 +376,7 @@ void FixAdapt::init()
 
       // if pair hybrid, test that ilo,ihi,jlo,jhi are valid for sub-style
 
-      if (strcmp(force->pair_style,"hybrid") == 0 ||
-          strcmp(force->pair_style,"hybrid/overlay") == 0) {
+      if (utils::strmatch(force->pair_style,"^hybrid")) {
         PairHybrid *pair = (PairHybrid *) force->pair;
         for (i = ad->ilo; i <= ad->ihi; i++)
           for (j = MAX(ad->jlo,i); j <= ad->jhi; j++)
@@ -416,8 +416,7 @@ void FixAdapt::init()
 
       if (ad->bdim == 1) ad->vector = (double *) ptr;
 
-      if (strcmp(force->bond_style,"hybrid") == 0 ||
-          strcmp(force->bond_style,"hybrid_overlay") == 0)
+      if (utils::strmatch(force->bond_style,"^hybrid"))
         error->all(FLERR,"Fix adapt does not support bond_style hybrid");
 
       delete [] bstyle;
diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp
index a5bf8db557853771ebb077da829d522491c17d63..87da5222f02341a5b0b7be3aee0ccfdb34480c4b 100644
--- a/src/fix_ave_histo.cpp
+++ b/src/fix_ave_histo.cpp
@@ -32,7 +32,7 @@ using namespace FixConst;
 enum{X,V,F,COMPUTE,FIX,VARIABLE};
 enum{ONE,RUNNING};
 enum{SCALAR,VECTOR,WINDOW};
-enum{GLOBAL,PERATOM,LOCAL};
+enum{DEFAULT,GLOBAL,PERATOM,LOCAL};
 enum{IGNORE,END,EXTRA};
 
 #define INVOKED_SCALAR 1
@@ -46,8 +46,10 @@ enum{IGNORE,END,EXTRA};
 
 FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), fp(NULL), stats_list(NULL),
-  bin(NULL), bin_total(NULL), bin_all(NULL), bin_list(NULL), coord(NULL), vector(NULL)
+  nvalues(0), which(NULL), argindex(NULL), value2index(NULL),
+  ids(NULL), fp(NULL), stats_list(NULL),
+  bin(NULL), bin_total(NULL), bin_all(NULL), bin_list(NULL),
+  coord(NULL), vector(NULL)
 {
   if (narg < 10) error->all(FLERR,"Illegal fix ave/histo command");
 
@@ -188,9 +190,8 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
     memory->sfree(earg);
   }
 
-  // setup and error check
-  // kind = inputs are all global, or all per-atom, or all local
-  // for fix inputs, check that fix frequency is acceptable
+  // check input args for kind consistency
+  // all inputs must all be global, per-atom, or local
 
   if (nevery <= 0 || nrepeat <= 0 || nfreq <= 0)
     error->all(FLERR,"Illegal fix ave/histo command");
@@ -201,40 +202,65 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
   if (ave != RUNNING && overwrite)
     error->all(FLERR,"Illegal fix ave/histo command");
 
-  int kindflag;
+  int kindglobal,kindperatom,kindlocal;
+
   for (int i = 0; i < nvalues; i++) {
-    if (which[i] == X || which[i] == V || which[i] == F) kindflag = PERATOM;
-    else if (which[i] == COMPUTE) {
+    kindglobal = kindperatom = kindlocal = 0;
+
+    if (which[i] == X || which[i] == V || which[i] == F) {
+      kindperatom = 1;
+
+    } else if (which[i] == COMPUTE) {
       int c_id = modify->find_compute(ids[i]);
       if (c_id < 0) error->all(FLERR,"Fix ave/histo input is invalid compute");
       Compute *compute = modify->compute[c_id];
+      // computes can produce multiple kinds of output
       if (compute->scalar_flag || compute->vector_flag || compute->array_flag)
-        kindflag = GLOBAL;
-      else if (compute->peratom_flag) kindflag = PERATOM;
-      else if (compute->local_flag) kindflag = LOCAL;
-      else error->all(FLERR,"Fix ave/histo input is invalid compute");
+        kindglobal = 1;
+      if (compute->peratom_flag) kindperatom = 1;
+      if (compute->local_flag) kindlocal = 1;
+
     } else if (which[i] == FIX) {
       int f_id = modify->find_fix(ids[i]);
       if (f_id < 0) error->all(FLERR,"Fix ave/histo input is invalid fix");
       Fix *fix = modify->fix[f_id];
+      // fixes can produce multiple kinds of output
       if (fix->scalar_flag || fix->vector_flag || fix->array_flag)
-        kindflag = GLOBAL;
-      else if (fix->peratom_flag) kindflag = PERATOM;
-      else if (fix->local_flag) kindflag = LOCAL;
-      else error->all(FLERR,"Fix ave/histo input is invalid fix");
+        kindglobal = 1;
+      if (fix->peratom_flag) kindperatom = 1;
+      if (fix->local_flag) kindlocal = 1;
+
     } else if (which[i] == VARIABLE) {
       int ivariable = input->variable->find(ids[i]);
-      if (ivariable < 0) error->all(FLERR,"Fix ave/histo input is invalid variable");
-      if (input->variable->equalstyle(ivariable)) kindflag = GLOBAL;
-      else if (input->variable->atomstyle(ivariable)) kindflag = PERATOM;
-      else error->all(FLERR,"Fix ave/histo input is invalid variable");
+      if (ivariable < 0)
+        error->all(FLERR,"Fix ave/histo input is invalid variable");
+      // variables only produce one kind of output
+      if (input->variable->equalstyle(ivariable)) kindglobal = 1;
+      else if (input->variable->atomstyle(ivariable)) kindperatom = 1;
+      else error->all(FLERR,"Fix ave/histo input is invalid kind of variable");
+    }
+
+    if (kind == DEFAULT) {
+      if (kindglobal + kindperatom + kindlocal > 1)
+        error->all(FLERR,"Fix ave/histo input kind is ambiguous");
+      if (kindglobal) kind = GLOBAL;
+      if (kindperatom) kind = PERATOM;
+      if (kindlocal) kind = LOCAL;
+    } else if (kind == GLOBAL) {
+      if (!kindglobal)
+        error->all(FLERR,"Fix ave/histo input kind is invalid");
+    } else if (kind == PERATOM) {
+      if (!kindperatom)
+        error->all(FLERR,"Fix ave/histo input kind is invalid");
+    } else if (kind == LOCAL) {
+      if (!kindlocal)
+        error->all(FLERR,"Fix ave/histo input kind is invalid");
     }
-    if (i == 0) kind = kindflag;
-    else if (kindflag != kind)
-      error->all(FLERR,
-                 "Fix ave/histo inputs are not all global, peratom, or local");
   }
 
+  // more error checks
+  // for fix inputs, check that fix frequency is acceptable
+
   if (kind == PERATOM && mode == SCALAR)
     error->all(FLERR,
                "Fix ave/histo cannot input per-atom values in scalar mode");
@@ -919,6 +945,7 @@ void FixAveHisto::options(int iarg, int narg, char **arg)
   // option defaults
 
   fp = NULL;
+  kind = DEFAULT;
   ave = ONE;
   startstep = 0;
   mode = SCALAR;
@@ -942,6 +969,13 @@ void FixAveHisto::options(int iarg, int narg, char **arg)
         }
       }
       iarg += 2;
+    } else if (strcmp(arg[iarg],"kind") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/histo command");
+      if (strcmp(arg[iarg+1],"global") == 0) kind = GLOBAL;
+      else if (strcmp(arg[iarg+1],"peratom") == 0) kind = PERATOM;
+      else if (strcmp(arg[iarg+1],"local") == 0) kind = LOCAL;
+      else error->all(FLERR,"Illegal fix ave/histo command");
+      iarg += 2;
     } else if (strcmp(arg[iarg],"ave") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/histo command");
       if (strcmp(arg[iarg+1],"one") == 0) ave = ONE;
diff --git a/src/fix_balance.cpp b/src/fix_balance.cpp
index 8995a57afe0d6fd7a22bd66a3f6f89e9b5cc6ef0..ddaf42b49da872d1d2337c94b622ba59191a2983 100644
--- a/src/fix_balance.cpp
+++ b/src/fix_balance.cpp
@@ -274,10 +274,6 @@ void FixBalance::rebalance()
     comm->layout = Comm::LAYOUT_TILED;
   }
 
-  // output of new decomposition
-
-  if (balance->outflag) balance->dumpout(update->ntimestep);
-
   // reset proc sub-domains
   // check and warn if any proc's subbox is smaller than neigh skin
   //   since may lead to lost atoms in comm->exchange()
@@ -286,12 +282,17 @@ void FixBalance::rebalance()
   domain->set_local_box();
   domain->subbox_too_small_check(neighbor->skin);
 
+  // output of new decomposition
+
+  if (balance->outflag) balance->dumpout(update->ntimestep);
+
   // move atoms to new processors via irregular()
   // for non-RCB only needed if migrate_check() says an atom moves too far
   // else allow caller's comm->exchange() to do it
   // set disable = 0, so weights migrate with atoms
   //   important to delay disable = 1 until after pre_neighbor imbfinal calc
   //   b/c atoms may migrate again in comm->exchange()
+  // NOTE: for reproducible debug runs, set 1st arg of migrate_atoms() to 1
 
   if (domain->triclinic) domain->x2lamda(atom->nlocal);
   if (wtflag) balance->fixstore->disable = 0;
diff --git a/src/fix_external.cpp b/src/fix_external.cpp
index 5ac9206e7fae6630bf4bf76284df1173432f8f9a..b1ffa65e492ecd021d76224de0f32827bbd9618d 100644
--- a/src/fix_external.cpp
+++ b/src/fix_external.cpp
@@ -141,8 +141,7 @@ void FixExternal::post_force(int vflag)
   bigint ntimestep = update->ntimestep;
 
   int eflag = eflag_caller;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   // invoke the callback in driver program
   // it will fill fexternal with forces
diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp
index d829982274e9431c30368c5362e228b954ec9b8d..36ea47daf6168a4e48c01dff56c6a19e4327a178 100644
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@@ -177,8 +177,6 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
     }
   }
 
-  if (tallyflag && zeroflag && comm->me == 0)
-    error->warning(FLERR,"Energy tally does not account for 'zero yes'");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -605,6 +603,11 @@ void FixLangevin::post_force_untemplated
         f[i][0] -= fsumall[0];
         f[i][1] -= fsumall[1];
         f[i][2] -= fsumall[2];
+        if (Tp_TALLY) {
+          flangevin[i][0] -= fsumall[0];
+          flangevin[i][1] -= fsumall[1];
+          flangevin[i][2] -= fsumall[2];
+        }
       }
     }
   }
diff --git a/src/fix_langevin.h b/src/fix_langevin.h
index 2883ac9ea256e1ea95e0ec9af69d7bab51927c4d..024e7a9539e0bca116366b10cf3c1ca406b5e4af 100644
--- a/src/fix_langevin.h
+++ b/src/fix_langevin.h
@@ -104,12 +104,6 @@ E: Fix langevin period must be > 0.0
 
 The time window for temperature relaxation must be > 0
 
-W: Energy tally does not account for 'zero yes'
-
-The energy removed by using the 'zero yes' flag is not accounted
-for in the energy tally and thus energy conservation cannot be
-monitored in this case.
-
 E: Fix langevin omega requires atom style sphere
 
 Self-explanatory.
diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp
index c21b494aa41d0d515535afe9c64e7ef9c37f4273..207c409596a7994c9bff40d419041f8eaff714f2 100644
--- a/src/fix_neigh_history.cpp
+++ b/src/fix_neigh_history.cpp
@@ -408,7 +408,9 @@ void FixNeighHistory::pre_exchange_newton()
         m = npartner[j]++;
         partner[j][m] = tag[i];
         jvalues = &valuepartner[j][dnum*m];
-        for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
+        if (pair->nondefault_history_transfer) 
+          pair->transfer_history(onevalues,jvalues);
+        else for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
       }
     }
   }
@@ -520,7 +522,9 @@ void FixNeighHistory::pre_exchange_no_newton()
           m = npartner[j]++;
           partner[j][m] = tag[i];
           jvalues = &valuepartner[j][dnum*m];
-          for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
+          if (pair->nondefault_history_transfer) 
+            pair->transfer_history(onevalues, jvalues);
+          else for (n = 0; n < dnum; n++) jvalues[n] = -onevalues[n];
         }
       }
     }
@@ -604,7 +608,7 @@ void FixNeighHistory::post_neighbor()
 
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
-      rflag = sbmask(j);
+      rflag = sbmask(j) | pair->beyond_contact;
       j &= NEIGHMASK;
       jlist[jj] = j;
 
diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp
index b4fb43e56fc5b95aea196875028d905208877041..68ff0665a18f63be1ffad76a4362cc3a38ca5513 100644
--- a/src/fix_nve_limit.cpp
+++ b/src/fix_nve_limit.cpp
@@ -23,6 +23,7 @@
 #include "modify.h"
 #include "comm.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -72,8 +73,8 @@ void FixNVELimit::init()
   // warn if using fix shake, which will lead to invalid constraint forces
 
   for (int i = 0; i < modify->nfix; i++)
-    if ((strcmp(modify->fix[i]->style,"shake") == 0)
-        || (strcmp(modify->fix[i]->style,"rattle") == 0)) {
+    if (utils::strmatch(modify->fix[i]->style,"^shake")
+        || utils::strmatch(modify->fix[i]->style,"^rattle")) {
       if (comm->me == 0)
         error->warning(FLERR,"Should not use fix nve/limit with fix shake or fix rattle");
     }
diff --git a/src/fix_print.cpp b/src/fix_print.cpp
index 969fcf8140b2f25eefaba582940ce822ec720fc8..f6db88114a8ba59555858ebdd5355aa59a92e246 100644
--- a/src/fix_print.cpp
+++ b/src/fix_print.cpp
@@ -29,11 +29,18 @@ using namespace FixConst;
 
 FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  fp(NULL), string(NULL), copy(NULL), work(NULL)
+  fp(NULL), string(NULL), copy(NULL), work(NULL), var_print(NULL)
 {
   if (narg < 5) error->all(FLERR,"Illegal fix print command");
-  nevery = force->inumeric(FLERR,arg[3]);
-  if (nevery <= 0) error->all(FLERR,"Illegal fix print command");
+  if (strstr(arg[3],"v_") == arg[3]) {
+    int n = strlen(&arg[3][2]) + 1;
+    var_print = new char[n];
+    strcpy(var_print,&arg[3][2]);
+    nevery = 1;
+  } else {
+    nevery = force->inumeric(FLERR,arg[3]);
+    if (nevery <= 0) error->all(FLERR,"Illegal fix print command");
+  }
 
   MPI_Comm_rank(world,&me);
 
@@ -89,13 +96,6 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) :
   }
 
   delete [] title;
-
-  // add nfirst to all computes that store invocation times
-  // since don't know a priori which are invoked via variables by this fix
-  // once in end_of_step() can set timestep for ones actually invoked
-
-  const bigint nfirst = (update->ntimestep/nevery)*nevery + nevery;
-  modify->addstep_compute_all(nfirst);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -103,6 +103,7 @@ FixPrint::FixPrint(LAMMPS *lmp, int narg, char **arg) :
 FixPrint::~FixPrint()
 {
   delete [] string;
+  delete [] var_print;
   memory->sfree(copy);
   memory->sfree(work);
 
@@ -120,8 +121,35 @@ int FixPrint::setmask()
 
 /* ---------------------------------------------------------------------- */
 
+void FixPrint::init()
+{
+  if (var_print) {
+    ivar_print = input->variable->find(var_print);
+    if (ivar_print < 0)
+      error->all(FLERR,"Variable name for fix print timestep does not exist");
+    if (!input->variable->equalstyle(ivar_print))
+      error->all(FLERR,"Variable for fix print timestep is invalid style");
+    next_print = static_cast<bigint>
+      (input->variable->compute_equal(ivar_print));
+    if (next_print <= update->ntimestep)
+      error->all(FLERR,"Fix print timestep variable returned a bad timestep");
+  } else {
+     next_print = (update->ntimestep/nevery)*nevery + nevery;
+  }
+
+  // add next_print to all computes that store invocation times
+  // since don't know a priori which are invoked via variables by this fix
+  // once in end_of_step() can set timestep for ones actually invoked
+
+  modify->addstep_compute_all(next_print);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixPrint::end_of_step()
 {
+  if (update->ntimestep != next_print) return;
+
   // make a copy of string to work on
   // substitute for $ variables (no printing)
   // append a newline and print final copy
@@ -132,7 +160,15 @@ void FixPrint::end_of_step()
   strcpy(copy,string);
   input->substitute(copy,work,maxcopy,maxwork,0);
 
-  modify->addstep_compute(update->ntimestep + nevery);
+  if (var_print) {
+    next_print = static_cast<bigint>
+      (input->variable->compute_equal(ivar_print));
+    if (next_print <= update->ntimestep)
+      error->all(FLERR,"Fix print timestep variable returned a bad timestep");
+  } else {
+    next_print = (update->ntimestep/nevery)*nevery + nevery;
+  }
+  modify->addstep_compute(next_print);
 
   if (me == 0) {
     if (screenflag && screen) fprintf(screen,"%s\n",copy);
diff --git a/src/fix_print.h b/src/fix_print.h
index 1f6efdf10851f9c9780b09caf145555a9ac471da..37b6680aee9405326b7461cd82aa6cda89be5bd4 100644
--- a/src/fix_print.h
+++ b/src/fix_print.h
@@ -29,6 +29,7 @@ class FixPrint : public Fix {
  public:
   FixPrint(class LAMMPS *, int, char **);
   ~FixPrint();
+  void init();
   int setmask();
   void end_of_step();
 
@@ -37,6 +38,9 @@ class FixPrint : public Fix {
   FILE *fp;
   char *string,*copy,*work;
   int maxcopy,maxwork;
+  char *var_print;
+  int ivar_print;
+  bigint next_print;
 };
 
 }
diff --git a/src/force.cpp b/src/force.cpp
index 7ff5096ee4fe58e09943af1ee097ae23b4655df6..26483589324437776f769830501ecd1e7c4a55b8 100644
--- a/src/force.cpp
+++ b/src/force.cpp
@@ -80,7 +80,11 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
   strcpy(kspace_style,str);
 
   pair_restart = NULL;
+  create_factories();
+}
 
+void _noopt Force::create_factories()
+{
   // fill pair map with pair styles listed in style_pair.h
 
   pair_map = new PairCreatorMap();
@@ -234,7 +238,7 @@ Pair *Force::new_pair(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (pair_map->find(estyle) != pair_map->end()) {
         PairCreator pair_creator = (*pair_map)[estyle];
         return pair_creator(lmp);
@@ -243,7 +247,7 @@ Pair *Force::new_pair(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (pair_map->find(estyle) != pair_map->end()) {
         PairCreator pair_creator = (*pair_map)[estyle];
         return pair_creator(lmp);
@@ -258,9 +262,7 @@ Pair *Force::new_pair(const char *style, int trysuffix, int &sflag)
     return pair_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown pair style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("pair",style,lmp).c_str());
 
   return NULL;
 }
@@ -348,7 +350,7 @@ Bond *Force::new_bond(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (bond_map->find(estyle) != bond_map->end()) {
         BondCreator bond_creator = (*bond_map)[estyle];
         return bond_creator(lmp);
@@ -358,7 +360,7 @@ Bond *Force::new_bond(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (bond_map->find(estyle) != bond_map->end()) {
         BondCreator bond_creator = (*bond_map)[estyle];
         return bond_creator(lmp);
@@ -373,9 +375,7 @@ Bond *Force::new_bond(const char *style, int trysuffix, int &sflag)
     return bond_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown bond style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("bond",style,lmp).c_str());
 
   return NULL;
 }
@@ -429,7 +429,7 @@ Angle *Force::new_angle(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (angle_map->find(estyle) != angle_map->end()) {
         AngleCreator angle_creator = (*angle_map)[estyle];
         return angle_creator(lmp);
@@ -439,7 +439,7 @@ Angle *Force::new_angle(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (angle_map->find(estyle) != angle_map->end()) {
         AngleCreator angle_creator = (*angle_map)[estyle];
         return angle_creator(lmp);
@@ -454,9 +454,7 @@ Angle *Force::new_angle(const char *style, int trysuffix, int &sflag)
     return angle_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown angle style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("angle",style,lmp).c_str());
 
   return NULL;
 }
@@ -511,7 +509,7 @@ Dihedral *Force::new_dihedral(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (dihedral_map->find(estyle) != dihedral_map->end()) {
         DihedralCreator dihedral_creator = (*dihedral_map)[estyle];
         return dihedral_creator(lmp);
@@ -521,7 +519,7 @@ Dihedral *Force::new_dihedral(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (dihedral_map->find(estyle) != dihedral_map->end()) {
         DihedralCreator dihedral_creator = (*dihedral_map)[estyle];
         return dihedral_creator(lmp);
@@ -536,9 +534,7 @@ Dihedral *Force::new_dihedral(const char *style, int trysuffix, int &sflag)
     return dihedral_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown dihedral style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("dihedral",style,lmp).c_str());
 
   return NULL;
 }
@@ -592,7 +588,7 @@ Improper *Force::new_improper(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (improper_map->find(estyle) != improper_map->end()) {
         ImproperCreator improper_creator = (*improper_map)[estyle];
         return improper_creator(lmp);
@@ -602,7 +598,7 @@ Improper *Force::new_improper(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (improper_map->find(estyle) != improper_map->end()) {
         ImproperCreator improper_creator = (*improper_map)[estyle];
         return improper_creator(lmp);
@@ -617,9 +613,7 @@ Improper *Force::new_improper(const char *style, int trysuffix, int &sflag)
     return improper_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown improper style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("improper",style,lmp).c_str());
 
   return NULL;
 }
@@ -677,7 +671,7 @@ KSpace *Force::new_kspace(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (kspace_map->find(estyle) != kspace_map->end()) {
         KSpaceCreator kspace_creator = (*kspace_map)[estyle];
         return kspace_creator(lmp);
@@ -687,7 +681,7 @@ KSpace *Force::new_kspace(const char *style, int trysuffix, int &sflag)
     if (lmp->suffix2) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (kspace_map->find(estyle) != kspace_map->end()) {
         KSpaceCreator kspace_creator = (*kspace_map)[estyle];
         return kspace_creator(lmp);
@@ -702,9 +696,7 @@ KSpace *Force::new_kspace(const char *style, int trysuffix, int &sflag)
     return kspace_creator(lmp);
   }
 
-  char str[128];
-  sprintf(str,"Unknown kspace style %s",style);
-  error->all(FLERR,str);
+  error->all(FLERR,utils::check_packages_for_style("kspace",style,lmp).c_str());
 
   return NULL;
 }
@@ -743,8 +735,8 @@ void Force::store_style(char *&str, const char *style, int sflag)
 {
   if (sflag) {
     char estyle[256];
-    if (sflag == 1) sprintf(estyle,"%s/%s",style,lmp->suffix);
-    else sprintf(estyle,"%s/%s",style,lmp->suffix2);
+    if (sflag == 1) snprintf(estyle,256,"%s/%s",style,lmp->suffix);
+    else snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
     int n = strlen(estyle) + 1;
     str = new char[n];
     strcpy(str,estyle);
diff --git a/src/force.h b/src/force.h
index e4bb0f990eb4985ef3de8b72c2def237498932f0..227b9427c0edfa491c9b757fb84ce37380f28371 100644
--- a/src/force.h
+++ b/src/force.h
@@ -143,6 +143,7 @@ class Force : protected Pointers {
   bigint memory_usage();
 
  private:
+  void create_factories();
   template <typename T> static Pair *pair_creator(LAMMPS *);
   template <typename T> static Bond *bond_creator(LAMMPS *);
   template <typename T> static Angle *angle_creator(LAMMPS *);
@@ -159,35 +160,36 @@ class Force : protected Pointers {
 
 E: Must re-specify non-restarted pair style (%s) after read_restart
 
-UNDOCUMENTED
+For pair styles, that do not store their settings in a restart file,
+it must be defined with a new 'pair_style' command after read_restart.
 
-E: Unknown pair style %s
+E: Unrecognized pair style %s
 
-UNDOCUMENTED
+The choice of pair style is unknown.
 
-E: Unknown bond style %s
+E: Unrecognized bond style %s
 
-UNDOCUMENTED
+The choice of bond style is unknown.
 
-E: Unknown angle style %s
+E: Unrecognized angle style %s
 
-UNDOCUMENTED
+The choice of angle style is unknown.
 
-E: Unknown dihedral style %s
+E: Unrecognized dihedral style %s
 
-UNDOCUMENTED
+The choice of dihedral style is unknown.
 
-E: Unknown improper style %s
+E: Unrecognized improper style %s
 
-UNDOCUMENTED
+The choice of improper style is unknown.
 
 E: Cannot yet use KSpace solver with grid with comm style tiled
 
 This is current restriction in LAMMPS.
 
-E: Unknown kspace style %s
+E: Unrecognized kspace style %s
 
-UNDOCUMENTED
+The choice of kspace style is unknown.
 
 E: Illegal ... command
 
diff --git a/src/group.cpp b/src/group.cpp
index 3bc3f3d7bf9e7c47275a50b53bf31f07b4da7174..256bab77780c98c2e967317f3df36b177c24eac1 100644
--- a/src/group.cpp
+++ b/src/group.cpp
@@ -40,7 +40,7 @@ using namespace LAMMPS_NS;
 #define MAX_GROUP 32
 #define EPSILON 1.0e-6
 
-enum{TYPE,MOLECULE,ID};
+enum{NONE,TYPE,MOLECULE,ID};
 enum{LT,LE,GT,GE,EQ,NEQ,BETWEEN};
 
 #define BIG 1.0e20
@@ -202,11 +202,17 @@ void Group::assign(int narg, char **arg)
 
     if (narg < 3) error->all(FLERR,"Illegal group command");
 
-    int category;
+    int category=NONE;
     if (strcmp(arg[1],"type") == 0) category = TYPE;
     else if (strcmp(arg[1],"molecule") == 0) category = MOLECULE;
     else if (strcmp(arg[1],"id") == 0) category = ID;
 
+    if ((category == MOLECULE) && (!atom->molecular))
+      error->all(FLERR,"Group command requires atom attribute molecule");
+
+    if ((category == ID) && (!atom->tag_enable))
+      error->all(FLERR,"Group command requires atom IDs");
+
     // args = logical condition
 
     if (narg > 3 &&
@@ -362,10 +368,13 @@ void Group::assign(int narg, char **arg)
   } else if (strcmp(arg[1],"include") == 0) {
 
     if (narg != 3) error->all(FLERR,"Illegal group command");
-    if (strcmp(arg[2],"molecule") != 0)
-      error->all(FLERR,"Illegal group command");
+    if (strcmp(arg[2],"molecule") == 0) {
+      if (!atom->molecular)
+        error->all(FLERR,"Group command requires atom attribute molecule");
+
+      add_molecules(igroup,bit);
 
-    add_molecules(igroup,bit);
+    } else error->all(FLERR,"Illegal group command");
 
   // style = subtract
 
diff --git a/src/hashlittle.cpp b/src/hashlittle.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..f612be9eeb0e947b3052137d1583b70815f47dda
--- /dev/null
+++ b/src/hashlittle.cpp
@@ -0,0 +1,348 @@
+// Hash function hashlittle()
+// from lookup3.c, by Bob Jenkins, May 2006, Public Domain
+// bob_jenkins@burtleburtle.net
+
+#include <cmath>
+#include <stddef.h>
+#include <stdint.h>
+
+// if the system defines the __BYTE_ORDER__ define,
+// we use it instead of guessing the platform
+
+#if defined(__BYTE_ORDER__)
+# if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
+#  define HASH_LITTLE_ENDIAN 1
+# else
+#  define HASH_LITTLE_ENDIAN 0
+# endif
+#else   // heuristic platform guess
+# if defined(__bg__)
+#  define HASH_LITTLE_ENDIAN 0       // IBM BlueGene is big endian
+# else
+#  define HASH_LITTLE_ENDIAN 1       // Intel and AMD x86 are little endian
+# endif
+#endif
+
+#define rot(x,k) (((x)<<(k)) | ((x)>>(32-(k))))
+
+/*
+-------------------------------------------------------------------------------
+mix -- mix 3 32-bit values reversibly.
+
+This is reversible, so any information in (a,b,c) before mix() is
+still in (a,b,c) after mix().
+
+If four pairs of (a,b,c) inputs are run through mix(), or through
+mix() in reverse, there are at least 32 bits of the output that
+are sometimes the same for one pair and different for another pair.
+This was tested for:
+* pairs that differed by one bit, by two bits, in any combination
+  of top bits of (a,b,c), or in any combination of bottom bits of
+  (a,b,c).
+* "differ" is defined as +, -, ^, or ~^.  For + and -, I transformed
+  the output delta to a Gray code (a^(a>>1)) so a string of 1's (as
+  is commonly produced by subtraction) look like a single 1-bit
+  difference.
+* the base values were pseudorandom, all zero but one bit set, or
+  all zero plus a counter that starts at zero.
+
+Some k values for my "a-=c; a^=rot(c,k); c+=b;" arrangement that
+satisfy this are
+    4  6  8 16 19  4
+    9 15  3 18 27 15
+   14  9  3  7 17  3
+Well, "9 15 3 18 27 15" didn't quite get 32 bits diffing
+for "differ" defined as + with a one-bit base and a two-bit delta.  I
+used http://burtleburtle.net/bob/hash/avalanche.html to choose
+the operations, constants, and arrangements of the variables.
+
+This does not achieve avalanche.  There are input bits of (a,b,c)
+that fail to affect some output bits of (a,b,c), especially of a.  The
+most thoroughly mixed value is c, but it doesn't really even achieve
+avalanche in c.
+
+This allows some parallelism.  Read-after-writes are good at doubling
+the number of bits affected, so the goal of mixing pulls in the opposite
+direction as the goal of parallelism.  I did what I could.  Rotates
+seem to cost as much as shifts on every machine I could lay my hands
+on, and rotates are much kinder to the top and bottom bits, so I used
+rotates.
+-------------------------------------------------------------------------------
+*/
+#define mix(a,b,c) \
+{ \
+  a -= c;  a ^= rot(c, 4);  c += b; \
+  b -= a;  b ^= rot(a, 6);  a += c; \
+  c -= b;  c ^= rot(b, 8);  b += a; \
+  a -= c;  a ^= rot(c,16);  c += b; \
+  b -= a;  b ^= rot(a,19);  a += c; \
+  c -= b;  c ^= rot(b, 4);  b += a; \
+}
+
+/*
+-------------------------------------------------------------------------------
+final -- final mixing of 3 32-bit values (a,b,c) into c
+
+Pairs of (a,b,c) values differing in only a few bits will usually
+produce values of c that look totally different.  This was tested for
+* pairs that differed by one bit, by two bits, in any combination
+  of top bits of (a,b,c), or in any combination of bottom bits of
+  (a,b,c).
+* "differ" is defined as +, -, ^, or ~^.  For + and -, I transformed
+  the output delta to a Gray code (a^(a>>1)) so a string of 1's (as
+  is commonly produced by subtraction) look like a single 1-bit
+  difference.
+* the base values were pseudorandom, all zero but one bit set, or
+  all zero plus a counter that starts at zero.
+
+These constants passed:
+ 14 11 25 16 4 14 24
+ 12 14 25 16 4 14 24
+and these came close:
+  4  8 15 26 3 22 24
+ 10  8 15 26 3 22 24
+ 11  8 15 26 3 22 24
+-------------------------------------------------------------------------------
+*/
+#define final(a,b,c) \
+{ \
+  c ^= b; c -= rot(b,14); \
+  a ^= c; a -= rot(c,11); \
+  b ^= a; b -= rot(a,25); \
+  c ^= b; c -= rot(b,16); \
+  a ^= c; a -= rot(c,4);  \
+  b ^= a; b -= rot(a,14); \
+  c ^= b; c -= rot(b,24); \
+}
+
+/*
+-------------------------------------------------------------------------------
+hashlittle() -- hash a variable-length key into a 32-bit value
+  k       : the key (the unaligned variable-length array of bytes)
+  length  : the length of the key, counting by bytes
+  initval : can be any 4-byte value
+Returns a 32-bit value.  Every bit of the key affects every bit of
+the return value.  Two keys differing by one or two bits will have
+totally different hash values.
+
+The best hash table sizes are powers of 2.  There is no need to do
+mod a prime (mod is sooo slow!).  If you need less than 32 bits,
+use a bitmask.  For example, if you need only 10 bits, do
+  h = (h & hashmask(10));
+In which case, the hash table should have hashsize(10) elements.
+
+If you are hashing n strings (uint8_t **)k, do it like this:
+  for (i=0, h=0; i<n; ++i) h = hashlittle( k[i], len[i], h);
+
+By Bob Jenkins, 2006.  bob_jenkins@burtleburtle.net.  You may use this
+code any way you wish, private, educational, or commercial.  It's free.
+
+Use for hash table lookup, or anything where one collision in 2^^32 is
+acceptable.  Do NOT use for cryptographic purposes.
+-------------------------------------------------------------------------------
+*/
+
+uint32_t hashlittle( const void *key, size_t length, uint32_t initval)
+{
+#ifndef PURIFY_HATES_HASHLITTLE
+
+  uint32_t a,b,c;                                          /* internal state */
+  union { const void *ptr; size_t i; } u;     /* needed for Mac Powerbook G4 */
+
+  /* Set up the internal state */
+  a = b = c = 0xdeadbeef + ((uint32_t)length) + initval;
+
+  u.ptr = key;
+  if (HASH_LITTLE_ENDIAN && ((u.i & 0x3) == 0)) {
+    const uint32_t *k = (const uint32_t *)key;         /* read 32-bit chunks */
+
+    /*------ all but last block: aligned reads and affect 32 bits of (a,b,c) */
+    while (length > 12)
+    {
+      a += k[0];
+      b += k[1];
+      c += k[2];
+      mix(a,b,c);
+      length -= 12;
+      k += 3;
+    }
+
+    /*----------------------------- handle the last (probably partial) block */
+    /*
+     * "k[2]&0xffffff" actually reads beyond the end of the string, but
+     * then masks off the part it's not allowed to read.  Because the
+     * string is aligned, the masked-off tail is in the same word as the
+     * rest of the string.  Every machine with memory protection I've seen
+     * does it on word boundaries, so is OK with this.  But VALGRIND will
+     * still catch it and complain.  The masking trick does make the hash
+     * noticably faster for short strings (like English words).
+     */
+#ifndef VALGRIND
+
+    switch(length)
+    {
+    case 12: c+=k[2]; b+=k[1]; a+=k[0]; break;
+    case 11: c+=k[2]&0xffffff; b+=k[1]; a+=k[0]; break;
+    case 10: c+=k[2]&0xffff; b+=k[1]; a+=k[0]; break;
+    case 9 : c+=k[2]&0xff; b+=k[1]; a+=k[0]; break;
+    case 8 : b+=k[1]; a+=k[0]; break;
+    case 7 : b+=k[1]&0xffffff; a+=k[0]; break;
+    case 6 : b+=k[1]&0xffff; a+=k[0]; break;
+    case 5 : b+=k[1]&0xff; a+=k[0]; break;
+    case 4 : a+=k[0]; break;
+    case 3 : a+=k[0]&0xffffff; break;
+    case 2 : a+=k[0]&0xffff; break;
+    case 1 : a+=k[0]&0xff; break;
+    case 0 : return c;              /* zero length strings require no mixing */
+    }
+
+#else /* make valgrind happy */
+
+    const uint8_t  *k8 = (const uint8_t *)k;
+    switch(length)
+    {
+    case 12: c+=k[2]; b+=k[1]; a+=k[0]; break;
+    case 11: c+=((uint32_t)k8[10])<<16;  /* fall through */
+    case 10: c+=((uint32_t)k8[9])<<8;    /* fall through */
+    case 9 : c+=k8[8];                   /* fall through */
+    case 8 : b+=k[1]; a+=k[0]; break;
+    case 7 : b+=((uint32_t)k8[6])<<16;   /* fall through */
+    case 6 : b+=((uint32_t)k8[5])<<8;    /* fall through */
+    case 5 : b+=k8[4];                   /* fall through */
+    case 4 : a+=k[0]; break;
+    case 3 : a+=((uint32_t)k8[2])<<16;   /* fall through */
+    case 2 : a+=((uint32_t)k8[1])<<8;    /* fall through */
+    case 1 : a+=k8[0]; break;
+    case 0 : return c;
+    }
+
+#endif /* !valgrind */
+
+  } else if (HASH_LITTLE_ENDIAN && ((u.i & 0x1) == 0)) {
+    const uint16_t *k = (const uint16_t *)key;         /* read 16-bit chunks */
+    const uint8_t  *k8;
+
+    /*--------------- all but last block: aligned reads and different mixing */
+    while (length > 12)
+    {
+      a += k[0] + (((uint32_t)k[1])<<16);
+      b += k[2] + (((uint32_t)k[3])<<16);
+      c += k[4] + (((uint32_t)k[5])<<16);
+      mix(a,b,c);
+      length -= 12;
+      k += 6;
+    }
+
+    /*----------------------------- handle the last (probably partial) block */
+    k8 = (const uint8_t *)k;
+    switch(length)
+    {
+    case 12: c+=k[4]+(((uint32_t)k[5])<<16);
+             b+=k[2]+(((uint32_t)k[3])<<16);
+             a+=k[0]+(((uint32_t)k[1])<<16);
+             break;
+    case 11: c+=((uint32_t)k8[10])<<16;     /* fall through */
+    case 10: c+=k[4];
+             b+=k[2]+(((uint32_t)k[3])<<16);
+             a+=k[0]+(((uint32_t)k[1])<<16);
+             break;
+    case 9 : c+=k8[8];                      /* fall through */
+    case 8 : b+=k[2]+(((uint32_t)k[3])<<16);
+             a+=k[0]+(((uint32_t)k[1])<<16);
+             break;
+    case 7 : b+=((uint32_t)k8[6])<<16;      /* fall through */
+    case 6 : b+=k[2];
+             a+=k[0]+(((uint32_t)k[1])<<16);
+             break;
+    case 5 : b+=k8[4];                      /* fall through */
+    case 4 : a+=k[0]+(((uint32_t)k[1])<<16);
+             break;
+    case 3 : a+=((uint32_t)k8[2])<<16;      /* fall through */
+    case 2 : a+=k[0];
+             break;
+    case 1 : a+=k8[0];
+             break;
+    case 0 : return c;                     /* zero length requires no mixing */
+    }
+
+  } else {                        /* need to read the key one byte at a time */
+    const uint8_t *k = (const uint8_t *)key;
+
+    /*--------------- all but the last block: affect some 32 bits of (a,b,c) */
+    while (length > 12)
+    {
+      a += k[0];
+      a += ((uint32_t)k[1])<<8;
+      a += ((uint32_t)k[2])<<16;
+      a += ((uint32_t)k[3])<<24;
+      b += k[4];
+      b += ((uint32_t)k[5])<<8;
+      b += ((uint32_t)k[6])<<16;
+      b += ((uint32_t)k[7])<<24;
+      c += k[8];
+      c += ((uint32_t)k[9])<<8;
+      c += ((uint32_t)k[10])<<16;
+      c += ((uint32_t)k[11])<<24;
+      mix(a,b,c);
+      length -= 12;
+      k += 12;
+    }
+
+    /*-------------------------------- last block: affect all 32 bits of (c) */
+    switch(length)                   /* all the case statements fall through */
+    {
+    case 12: c+=((uint32_t)k[11])<<24; /* fall through */
+    case 11: c+=((uint32_t)k[10])<<16; /* fall through */
+    case 10: c+=((uint32_t)k[9])<<8;   /* fall through */
+    case 9 : c+=k[8];                  /* fall through */
+    case 8 : b+=((uint32_t)k[7])<<24;  /* fall through */
+    case 7 : b+=((uint32_t)k[6])<<16;  /* fall through */
+    case 6 : b+=((uint32_t)k[5])<<8;   /* fall through */
+    case 5 : b+=k[4];                  /* fall through */
+    case 4 : a+=((uint32_t)k[3])<<24;  /* fall through */
+    case 3 : a+=((uint32_t)k[2])<<16;  /* fall through */
+    case 2 : a+=((uint32_t)k[1])<<8;   /* fall through */
+    case 1 : a+=k[0];
+             break;
+    case 0 : return c;
+    }
+  }
+
+  final(a,b,c);
+  return c;
+
+#else  /* PURIFY_HATES_HASHLITTLE */
+/* I don't know what it is about Jenkins' hashlittle function, but
+ * it drives purify insane, even with VALGRIND defined.  It makes
+ * purify unusable!!  The code execution doesn't even make sense.
+ * Below is a (probably) weaker hash function that at least allows
+ * testing with purify.
+ */
+#define MAXINT_DIV_PHI  11400714819323198485U
+
+  uint32_t h, rest, *p, bytes, num_bytes;
+  char *byteptr;
+
+  num_bytes = length;
+
+  /* First hash the uint32_t-sized portions of the key */
+  h = 0;
+  for (p = (uint32_t *)key, bytes=num_bytes;
+       bytes >= (uint32_t) sizeof(uint32_t);
+       bytes-=sizeof(uint32_t), p++){
+    h = (h^(*p))*MAXINT_DIV_PHI;
+  }
+
+  /* Then take care of the remaining bytes, if any */
+  rest = 0;
+  for (byteptr = (char *)p; bytes > 0; bytes--, byteptr++){
+    rest = (rest<<8) | (*byteptr);
+  }
+
+  /* If extra bytes, merge the two parts */
+  if (rest)
+    h = (h^rest)*MAXINT_DIV_PHI;
+
+  return h;
+#endif /* PURIFY_HATES_HASHLITTLE */
+}
diff --git a/src/hashlittle.h b/src/hashlittle.h
new file mode 100644
index 0000000000000000000000000000000000000000..7b57a35c80a52e8411388f56583e236790541d00
--- /dev/null
+++ b/src/hashlittle.h
@@ -0,0 +1,5 @@
+// Hash function hashlittle()
+// from lookup3.c, by Bob Jenkins, May 2006, Public Domain
+// bob_jenkins@burtleburtle.net
+
+uint32_t hashlittle(const void *key, size_t length, uint32_t);
diff --git a/src/improper.h b/src/improper.h
index adcf6d29c867251342105212f90c0a8cff947956..d940b43a1382ab2336852b48f91b79f01c9ad5c9 100644
--- a/src/improper.h
+++ b/src/improper.h
@@ -56,6 +56,10 @@ class Improper : protected Pointers {
   int vflag_either,vflag_global,vflag_atom;
   int maxeatom,maxvatom;
 
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int, int alloc = 1);
   void ev_tally(int, int, int, int, int, int, double,
                 double *, double *, double *, double, double, double,
diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp
index 3c17e42eafe77e26b1af427561f010ea130cb667..5fdcb42a96e4818270a65c48e495cbfe63ffe756 100644
--- a/src/improper_hybrid.cpp
+++ b/src/improper_hybrid.cpp
@@ -104,8 +104,7 @@ void ImproperHybrid::compute(int eflag, int vflag)
   // set neighbor->improperlist to sub-style improperlist before call
   // accumulate sub-style global/peratom energy/virial in hybrid
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   for (m = 0; m < nstyles; m++) {
     neighbor->nimproperlist = nimproperlist[m];
diff --git a/src/improper_zero.cpp b/src/improper_zero.cpp
index 8a1fa529c6dc1658c5d268d3acc268d2da5b7af7..747dd579191f591988569853279c8829e2e787cf 100644
--- a/src/improper_zero.cpp
+++ b/src/improper_zero.cpp
@@ -44,8 +44,7 @@ ImproperZero::~ImproperZero()
 
 void ImproperZero::compute(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/info.cpp b/src/info.cpp
index 983a1e9e924ab44ea8056e596d2aaa741d2ee80d..25b9879408b8e633111eae5eddff22016668f6bf 100644
--- a/src/info.cpp
+++ b/src/info.cpp
@@ -42,6 +42,7 @@
 #include "variable.h"
 #include "update.h"
 #include "error.h"
+#include "utils.h"
 
 #include <ctime>
 #include <map>
@@ -66,7 +67,7 @@
 namespace LAMMPS_NS {
 // same as in variable.cpp
 enum {INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,GETENV,
-      SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,PYTHON};
+      SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,VECTOR,PYTHON,INTERNAL};
 
 enum {COMPUTES=1<<0,
       DUMPS=1<<1,
@@ -105,7 +106,7 @@ static const int STYLES = ATOM_STYLES | INTEGRATE_STYLES | MINIMIZE_STYLES
 
 static const char *varstyles[] = {
   "index", "loop", "world", "universe", "uloop", "string", "getenv",
-  "file", "atomfile", "format", "equal", "atom", "python", "(unknown)"};
+  "file", "atomfile", "format", "equal", "atom", "vector", "python", "internal", "(unknown)"};
 
 static const char *mapstyles[] = { "none", "array", "hash" };
 
@@ -260,9 +261,14 @@ void Info::command(int narg, char **arg)
   fprintf(out,"Printed on %s\n",ctime(&now));
 
   if (flags & CONFIG) {
-    fprintf(out,"\nLAMMPS version: %s / %s\n\n",
-            universe->version, universe->num_ver);
-
+    if (lmp->has_git_info) {
+      fprintf(out,"\nLAMMPS version: %s / %s\nGit info: %s / %s / %s\n\n",
+              universe->version, universe->num_ver,lmp->git_branch,
+              lmp->git_descriptor,lmp->git_commit);
+    } else {
+      fprintf(out,"\nLAMMPS version: %s / %s\n\n",
+              universe->version, universe->num_ver);
+    }
     const char *infobuf = get_os_info();
     fprintf(out,"OS information: %s\n\n",infobuf);
     delete[] infobuf;
@@ -392,7 +398,7 @@ void Info::command(int narg, char **arg)
     fprintf(out,"Atoms = " BIGINT_FORMAT ",  types = %d,  style = %s\n",
             atom->natoms, atom->ntypes, force->pair_style);
 
-    if (force->pair && strstr(force->pair_style,"hybrid")) {
+    if (force->pair && utils::strmatch(force->pair_style,"^hybrid")) {
       PairHybrid *hybrid = (PairHybrid *)force->pair;
       fprintf(out,"Hybrid sub-styles:");
       for (int i=0; i < hybrid->nstyles; ++i)
@@ -593,6 +599,10 @@ void Info::command(int narg, char **arg)
       int ndata = 1;
       fprintf(out,"Variable[%3d]: %-10s,  style = %-10s,  def =",
               i,names[i],varstyles[style[i]]);
+      if (style[i] == INTERNAL) {
+        fprintf(out,"%g\n",input->variable->dvalue[i]);
+        continue;
+      }
       if ((style[i] != LOOP) && (style[i] != ULOOP))
         ndata = input->variable->num[i];
       for (int j=0; j < ndata; ++j)
diff --git a/src/input.cpp b/src/input.cpp
index f88c8ca0c023dcdb78ab2550e7991a03dd56609a..bb633d4338928d5b2d3f0839d10b3afced14afef 100644
--- a/src/input.cpp
+++ b/src/input.cpp
@@ -50,6 +50,7 @@
 #include "accelerator_kokkos.h"
 #include "error.h"
 #include "memory.h"
+#include "utils.h"
 
 #ifdef _OPENMP
 #include <omp.h>
@@ -84,8 +85,9 @@ Input::Input(LAMMPS *lmp, int argc, char **argv) : Pointers(lmp)
   ifthenelse_flag = 0;
 
   if (me == 0) {
-    nfile = maxfile = 1;
-    infiles = (FILE **) memory->smalloc(sizeof(FILE *),"input:infiles");
+    nfile = 1;
+    maxfile = 16;
+    infiles = new FILE *[maxfile];
     infiles[0] = infile;
   } else infiles = NULL;
 
@@ -137,7 +139,7 @@ Input::~Input()
   memory->sfree(work);
   if (labelstr) delete [] labelstr;
   memory->sfree(arg);
-  memory->sfree(infiles);
+  delete [] infiles;
   delete variable;
 
   delete command_map;
@@ -205,17 +207,7 @@ void Input::file()
     MPI_Bcast(&n,1,MPI_INT,0,world);
     if (n == 0) {
       if (label_active) error->all(FLERR,"Label wasn't found in input script");
-      if (me == 0) {
-        if (infile != stdin) {
-          fclose(infile);
-          infile = NULL;
-        }
-        nfile--;
-      }
-      MPI_Bcast(&nfile,1,MPI_INT,0,world);
-      if (nfile == 0) break;
-      if (me == 0) infile = infiles[nfile-1];
-      continue;
+      break;
     }
 
     if (n > maxline) reallocate(line,maxline,n);
@@ -249,8 +241,8 @@ void Input::file()
 }
 
 /* ----------------------------------------------------------------------
-   process all input from filename
-   called from library interface
+   process all input from file at filename
+   mostly called from library interface
 ------------------------------------------------------------------------- */
 
 void Input::file(const char *filename)
@@ -260,21 +252,27 @@ void Input::file(const char *filename)
   // call to file() will close filename and decrement nfile
 
   if (me == 0) {
-    if (nfile > 1)
-      error->one(FLERR,"Invalid use of library file() function");
+    if (nfile == maxfile)
+      error->one(FLERR,"Too many nested levels of input scripts");
 
-    if (infile && infile != stdin) fclose(infile);
     infile = fopen(filename,"r");
     if (infile == NULL) {
       char str[128];
       snprintf(str,128,"Cannot open input script %s",filename);
       error->one(FLERR,str);
     }
-    infiles[0] = infile;
-    nfile = 1;
+    infiles[nfile++] = infile;
   }
 
+  // process contents of file
+
   file();
+
+  if (me == 0) {
+    fclose(infile);
+    nfile--;
+    infile = infiles[nfile-1];
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -526,6 +524,11 @@ void Input::substitute(char *&str, char *&str2, int &max, int &max2, int flag)
           *fmtflag='\0';
         }
 
+        // quick check for proper format string
+
+        if (!utils::strmatch(fmtstr,"%[0-9 ]*\\.[0-9]+[efgEFG]"))
+          error->all(FLERR,"Incorrect conversion in format string");
+
         snprintf(immediate,256,fmtstr,variable->compute_equal(var));
         value = immediate;
 
@@ -1039,11 +1042,9 @@ void Input::include()
     error->all(FLERR,"Cannot use include command within an if command");
 
   if (me == 0) {
-    if (nfile == maxfile) {
-      maxfile++;
-      infiles = (FILE **)
-        memory->srealloc(infiles,maxfile*sizeof(FILE *),"input:infiles");
-    }
+    if (nfile == maxfile)
+      error->one(FLERR,"Too many nested levels of input scripts");
+
     infile = fopen(arg[0],"r");
     if (infile == NULL) {
       char str[128];
@@ -1052,6 +1053,16 @@ void Input::include()
     }
     infiles[nfile++] = infile;
   }
+
+  // process contents of file
+
+  file();
+
+  if (me == 0) {
+    fclose(infile);
+    nfile--;
+    infile = infiles[nfile-1];
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1812,11 +1823,11 @@ void Input::pair_style()
     if (!match && lmp->suffix_enable) {
       char estyle[256];
       if (lmp->suffix) {
-        sprintf(estyle,"%s/%s",arg[0],lmp->suffix);
+        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix);
         if (strcmp(estyle,force->pair_style) == 0) match = 1;
       }
       if (lmp->suffix2) {
-        sprintf(estyle,"%s/%s",arg[0],lmp->suffix2);
+        snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix2);
         if (strcmp(estyle,force->pair_style) == 0) match = 1;
       }
     }
diff --git a/src/input.h b/src/input.h
index 47ad7779f11a45bcef77cd3abebd4af88131e264..33e83bfb06045f9b49faad803aa310587b670bfa 100644
--- a/src/input.h
+++ b/src/input.h
@@ -173,6 +173,11 @@ E: Unbalanced quotes in input line
 No matching end double quote was found following a leading double
 quote.
 
+E: Incorrect conversion in format string
+
+An immediate variable with format suffix was not using
+either a %f, a %g, or a %e conversion in the format suffix.
+
 E: Input line quote not followed by white-space
 
 An end quote must be followed by white-space.
diff --git a/src/irregular.cpp b/src/irregular.cpp
index 9c15f135d0e4bfc13e40e799f69499a754af68bf..1865f9cbf63454e897cd71c083615454a597b8d1 100644
--- a/src/irregular.cpp
+++ b/src/irregular.cpp
@@ -501,7 +501,8 @@ int compare_standalone(const int i, const int j, void *ptr)
 
 void Irregular::exchange_atom(double *sendbuf, int *sizes, double *recvbuf)
 {
-  int i,m,n,offset,count;
+  int i,m,n,count;
+  bigint offset;
 
   // post all receives
 
@@ -621,6 +622,7 @@ int Irregular::create_data(int n, int *proclist, int sortflag)
   num_send = new int[nsend_proc];
   index_send = new int[n-work1[me]];
   index_self = new int[work1[me]];
+  maxindex = n;
 
   // proc_send = procs I send to
   // num_send = # of datums I send to each proc
@@ -678,8 +680,182 @@ int Irregular::create_data(int n, int *proclist, int sortflag)
 
   // receive incoming messages
   // proc_recv = procs I recv from
-  // num_recv = total size of message each proc sends me
-  // nrecvdatum = total size of data I recv
+  // num_recv = # of datums each proc sends me
+  // nrecvdatum = total # of datums I recv
+
+  int nrecvdatum = 0;
+  for (i = 0; i < nrecv_proc; i++) {
+    MPI_Recv(&num_recv[i],1,MPI_INT,MPI_ANY_SOURCE,0,world,status);
+    proc_recv[i] = status->MPI_SOURCE;
+    nrecvdatum += num_recv[i];
+  }
+  nrecvdatum += num_self;
+
+  // sort proc_recv and num_recv by proc ID if requested
+  // useful for debugging to insure reproducible ordering of received datums
+
+  if (sortflag) {
+    int *order = new int[nrecv_proc];
+    int *proc_recv_ordered = new int[nrecv_proc];
+    int *num_recv_ordered = new int[nrecv_proc];
+
+    for (i = 0; i < nrecv_proc; i++) order[i] = i;
+
+#if defined(LMP_QSORT)
+    proc_recv_copy = proc_recv;
+    qsort(order,nrecv_proc,sizeof(int),compare_standalone);
+#else
+    merge_sort(order,nrecv_proc,(void *)proc_recv,compare_standalone);
+#endif
+
+    int j;
+    for (i = 0; i < nrecv_proc; i++) {
+      j = order[i];
+      proc_recv_ordered[i] = proc_recv[j];
+      num_recv_ordered[i] = num_recv[j];
+    }
+
+    memcpy(proc_recv,proc_recv_ordered,nrecv_proc*sizeof(int));
+    memcpy(num_recv,num_recv_ordered,nrecv_proc*sizeof(int));
+    delete [] order;
+    delete [] proc_recv_ordered;
+    delete [] num_recv_ordered;
+  }
+
+  // barrier to insure all MPI_ANY_SOURCE messages are received
+  // else another proc could proceed to exchange_data() and send to me
+
+  MPI_Barrier(world);
+
+  // return # of datums I will receive
+
+  return nrecvdatum;
+}
+
+/* ----------------------------------------------------------------------
+   create communication plan based on list of datums of uniform size
+   n = # of datums to send
+   procs = how many datums to send to each proc, must include self
+   sort = flag for sorting order of received messages by proc ID
+   return total # of datums I will recv, including any to self
+------------------------------------------------------------------------- */
+
+int Irregular::create_data_grouped(int n, int *procs, int sortflag)
+{
+  int i,j,k,m;
+
+  // setup for collective comm
+  // work1 = # of datums I send to each proc, set self to 0
+  // work2 = 1 for all procs, used for ReduceScatter
+
+  for (i = 0; i < nprocs; i++) {
+    work1[i] = procs[i];
+    work2[i] = 1;
+  }
+  work1[me] = 0;
+
+  // nrecv_proc = # of procs I receive messages from, not including self
+  // options for performing ReduceScatter operation
+  // some are more efficient on some machines at big sizes
+
+#ifdef LAMMPS_RS_ALLREDUCE_INPLACE
+  MPI_Allreduce(MPI_IN_PLACE,work1,nprocs,MPI_INT,MPI_SUM,world);
+  nrecv_proc = work1[me];
+#else
+#ifdef LAMMPS_RS_ALLREDUCE
+  MPI_Allreduce(work1,work2,nprocs,MPI_INT,MPI_SUM,world);
+  nrecv_proc = work2[me];
+#else
+  MPI_Reduce_scatter(work1,&nrecv_proc,work2,MPI_INT,MPI_SUM,world);
+#endif
+#endif
+
+  // allocate receive arrays
+
+  proc_recv = new int[nrecv_proc];
+  num_recv = new int[nrecv_proc];
+  request = new MPI_Request[nrecv_proc];
+  status = new MPI_Status[nrecv_proc];
+
+  // work1 = # of datums I send to each proc, including self
+  // nsend_proc = # of procs I send messages to, not including self
+
+  for (i = 0; i < nprocs; i++) work1[i] = procs[i];
+
+  nsend_proc = 0;
+  for (i = 0; i < nprocs; i++)
+    if (work1[i]) nsend_proc++;
+  if (work1[me]) nsend_proc--;
+
+  // allocate send and self arrays
+
+  proc_send = new int[nsend_proc];
+  num_send = new int[nsend_proc];
+  index_send = new int[n-work1[me]];
+  index_self = new int[work1[me]];
+  maxindex = n;
+
+  // proc_send = procs I send to
+  // num_send = # of datums I send to each proc
+  // num_self = # of datums I copy to self
+  // to balance pattern of send messages:
+  //   each proc begins with iproc > me, continues until iproc = me
+  // reset work1 to store which send message each proc corresponds to
+
+  int iproc = me;
+  int isend = 0;
+  for (i = 0; i < nprocs; i++) {
+    iproc++;
+    if (iproc == nprocs) iproc = 0;
+    if (iproc == me) {
+      num_self = work1[iproc];
+      work1[iproc] = 0;
+    } else if (work1[iproc] > 0) {
+      proc_send[isend] = iproc;
+      num_send[isend] = work1[iproc];
+      work1[iproc] = isend;
+      isend++;
+    }
+  }
+
+  // work2 = offsets into index_send for each proc I send to
+  // m = ptr into index_self
+  // index_send = list of which datums to send to each proc
+  //   1st N1 values are datum indices for 1st proc,
+  //   next N2 values are datum indices for 2nd proc, etc
+  // index_self = list of which datums to copy to self
+
+  work2[0] = 0;
+  for (i = 1; i < nsend_proc; i++) work2[i] = work2[i-1] + num_send[i-1];
+
+  m = 0;
+  i = 0;
+  for (iproc = 0; iproc < nprocs; iproc++) {
+    k = procs[iproc];
+    for (j = 0; j < k; j++) {
+      if (iproc == me) index_self[m++] = i++;
+      else {
+        isend = work1[iproc];
+        index_send[work2[isend]++] = i++;
+      }
+    }
+  }
+
+  // tell receivers how much data I send
+  // sendmax_proc = largest # of datums I send in a single message
+
+  sendmax_proc = 0;
+  for (i = 0; i < nsend_proc; i++) {
+    MPI_Request tmpReq; // Use non-blocking send to avoid possible deadlock
+    MPI_Isend(&num_send[i],1,MPI_INT,proc_send[i],0,world,&tmpReq);
+    MPI_Request_free(&tmpReq); // the MPI_Barrier below marks completion
+    sendmax_proc = MAX(sendmax_proc,num_send[i]);
+  }
+
+  // receive incoming messages
+  // proc_recv = procs I recv from
+  // num_recv = # of datums each proc sends me
+  // nrecvdatum = total # of datums I recv
 
   int nrecvdatum = 0;
   for (i = 0; i < nrecv_proc; i++) {
@@ -739,11 +915,13 @@ int Irregular::create_data(int n, int *proclist, int sortflag)
 
 void Irregular::exchange_data(char *sendbuf, int nbytes, char *recvbuf)
 {
-  int i,m,n,offset,count;
+  int i,n,count;
+  bigint m;       // these 2 lines enable send/recv buf to be larger than 2 GB
+  char *dest;
 
   // post all receives, starting after self copies
 
-  offset = num_self*nbytes;
+  bigint offset = num_self*(bigint)nbytes;
   for (int irecv = 0; irecv < nrecv_proc; irecv++) {
     MPI_Irecv(&recvbuf[offset],num_recv[irecv]*nbytes,MPI_CHAR,
               proc_recv[irecv],0,world,&request[irecv]);
@@ -765,18 +943,22 @@ void Irregular::exchange_data(char *sendbuf, int nbytes, char *recvbuf)
   n = 0;
   for (int isend = 0; isend < nsend_proc; isend++) {
     count = num_send[isend];
+    dest = buf;
     for (i = 0; i < count; i++) {
       m = index_send[n++];
-      memcpy(&buf[i*nbytes],&sendbuf[m*nbytes],nbytes);
+      memcpy(dest,&sendbuf[m*nbytes],nbytes);
+      dest += nbytes;
     }
     MPI_Send(buf,count*nbytes,MPI_CHAR,proc_send[isend],0,world);
   }
 
   // copy datums to self, put at beginning of recvbuf
 
+  dest = recvbuf;
   for (i = 0; i < num_self; i++) {
     m = index_self[i];
-    memcpy(&recvbuf[i*nbytes],&sendbuf[m*nbytes],nbytes);
+    memcpy(dest,&sendbuf[m*nbytes],nbytes);
+    dest += nbytes;
   }
 
   // wait on all incoming messages
diff --git a/src/irregular.h b/src/irregular.h
index 1f74fe801b616d2c763d35a6c962e0602729536c..d56bcb253d6b6ab72d8fa9960fdd1d8406a76408 100644
--- a/src/irregular.h
+++ b/src/irregular.h
@@ -33,6 +33,7 @@ class Irregular : protected Pointers {
                      int *procassign = NULL);
   int migrate_check();
   int create_data(int, int *, int sortflag = 0);
+  int create_data_grouped(int, int *, int sortflag = 0);
   void exchange_data(char *, int, char *);
   void destroy_data();
   bigint memory_usage();
@@ -48,6 +49,7 @@ class Irregular : protected Pointers {
   double *dbuf;                     // double buf for largest single atom send
   int maxbuf;                       // size of char buf in bytes
   char *buf;                        // char buf for largest single data send
+  int maxindex;                     // combined size of index_send + index_self
 
   int *mproclist,*msizes;           // persistent vectors in migrate_atoms
   int maxlocal;                     // allocated size of mproclist and msizes
diff --git a/src/kspace.cpp b/src/kspace.cpp
index 25491cd964bc38944c91ebd716592bf5a202173d..643cf22113357ed55d449572d4b6a51a16010a46 100644
--- a/src/kspace.cpp
+++ b/src/kspace.cpp
@@ -37,7 +37,7 @@ KSpace::KSpace(LAMMPS *lmp) : Pointers(lmp)
   virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
 
   triclinic_support = 1;
-  ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = 0;
+  ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = spinflag = 0;
   compute_flag = 1;
   group_group_enable = 0;
   stagger_flag = 0;
@@ -168,9 +168,7 @@ void KSpace::triclinic_check()
 
 void KSpace::compute_dummy(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = evflag_atom = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ----------------------------------------------------------------------
@@ -192,6 +190,8 @@ void KSpace::pair_check()
     error->all(FLERR,"KSpace style is incompatible with Pair style");
   if (dipoleflag && !force->pair->dipoleflag)
     error->all(FLERR,"KSpace style is incompatible with Pair style");
+  if (spinflag && !force->pair->spinflag)
+    error->all(FLERR,"KSpace style is incompatible with Pair style");
   if (tip4pflag && !force->pair->tip4pflag)
     error->all(FLERR,"KSpace style is incompatible with Pair style");
 
@@ -268,7 +268,7 @@ void KSpace::ev_setup(int eflag, int vflag, int alloc)
    called initially, when particle count changes, when charges are changed
 ------------------------------------------------------------------------- */
 
-void KSpace::qsum_qsq()
+void KSpace::qsum_qsq(int warning_flag)
 {
   const double * const q = atom->q;
   const int nlocal = atom->nlocal;
@@ -285,7 +285,7 @@ void KSpace::qsum_qsq()
   MPI_Allreduce(&qsum_local,&qsum,1,MPI_DOUBLE,MPI_SUM,world);
   MPI_Allreduce(&qsqsum_local,&qsqsum,1,MPI_DOUBLE,MPI_SUM,world);
 
-  if ((qsqsum == 0.0) && (comm->me == 0) && warn_nocharge) {
+  if ((qsqsum == 0.0) && (comm->me == 0) && warn_nocharge && warning_flag) {
     error->warning(FLERR,"Using kspace solver on system with no charge");
     warn_nocharge = 0;
   }
@@ -445,7 +445,11 @@ void KSpace::modify_params(int narg, char **arg)
       nx_pppm = nx_msm_max = force->inumeric(FLERR,arg[iarg+1]);
       ny_pppm = ny_msm_max = force->inumeric(FLERR,arg[iarg+2]);
       nz_pppm = nz_msm_max = force->inumeric(FLERR,arg[iarg+3]);
-      if (nx_pppm == 0 && ny_pppm == 0 && nz_pppm == 0) gridflag = 0;
+      if (nx_pppm == 0 && ny_pppm == 0 && nz_pppm == 0)
+        gridflag = 0;
+      else if (nx_pppm <= 0 || ny_pppm <= 0 || nz_pppm <= 0)
+        error->all(FLERR,"Kspace_modify mesh parameters must be all "
+                   "zero or all positive");
       else gridflag = 1;
       iarg += 4;
     } else if (strcmp(arg[iarg],"mesh/disp") == 0) {
@@ -453,7 +457,11 @@ void KSpace::modify_params(int narg, char **arg)
       nx_pppm_6 = force->inumeric(FLERR,arg[iarg+1]);
       ny_pppm_6 = force->inumeric(FLERR,arg[iarg+2]);
       nz_pppm_6 = force->inumeric(FLERR,arg[iarg+3]);
-      if (nx_pppm_6 == 0 || ny_pppm_6 == 0 || nz_pppm_6 == 0) gridflag_6 = 0;
+      if (nx_pppm_6 == 0 && ny_pppm_6 == 0 && nz_pppm_6 == 0)
+        gridflag_6 = 0;
+      else if (nx_pppm_6 <= 0 || ny_pppm_6 <= 0 || nz_pppm_6 == 0)
+        error->all(FLERR,"Kspace_modify mesh/disp parameters must be all "
+                   "zero or all positive");
       else gridflag_6 = 1;
       iarg += 4;
     } else if (strcmp(arg[iarg],"order") == 0) {
diff --git a/src/kspace.h b/src/kspace.h
index f29659d0e8500079825160c244a4b9767a07b253..69f4ccb433e8e2cb7d6822b0c1ac46bc597ab06a 100644
--- a/src/kspace.h
+++ b/src/kspace.h
@@ -44,6 +44,7 @@ class KSpace : protected Pointers {
   int dispersionflag;            // 1 if a LJ/dispersion solver
   int tip4pflag;                 // 1 if a TIP4P solver
   int dipoleflag;                // 1 if a dipole solver
+  int spinflag;			 // 1 if a spin solver
   int differentiation_flag;
   int neighrequest_flag;         // used to avoid obsolete construction
                                  // of neighbor lists
@@ -108,7 +109,7 @@ class KSpace : protected Pointers {
 
   // public so can be called by commands that change charge
 
-  void qsum_qsq();
+  void qsum_qsq(int warning_flag = 1);
 
   // general child-class methods
 
@@ -194,6 +195,10 @@ class KSpace : protected Pointers {
   int kx_ewald,ky_ewald,kz_ewald;   // kspace settings for Ewald sum
 
   void pair_check();
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else evflag = eflag_either = eflag_global = eflag_atom = vflag_either = vflag_global = vflag_atom = 0;
+  }
   void ev_setup(int, int, int alloc = 1);
   double estimate_table_accuracy(double, double);
 };
@@ -247,6 +252,18 @@ E: Bad kspace_modify slab parameter
 
 Kspace_modify value for the slab/volume keyword must be >= 2.0.
 
+E: Kspace_modify mesh parameter must be all zero or all positive
+
+Valid kspace mesh parameters are >0. The code will try to auto-detect
+suitable values when all three mesh sizes are set to zero (the default).
+
+E: Kspace_modify mesh/disp parameter must be all zero or all positive
+
+Valid kspace mesh/disp parameters are >0. The code will try to auto-detect
+suitable values when all three mesh sizes are set to zero [and]
+the required accuracy via {force/disp/real} as well as
+{force/disp/kspace} is set.
+
 W: Kspace_modify slab param < 2.0 may cause unphysical behavior
 
 The kspace_modify slab parameter should be larger to insure periodic
diff --git a/src/lammps.cpp b/src/lammps.cpp
index 8a23a4297b813e53dd710934c15efb6139d691bd..f8d04c9323c78659b7e28a31700c47cbb0635082 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -14,6 +14,8 @@
 #include <mpi.h>
 #include <cstring>
 #include <cctype>
+#include <map>
+#include <string>
 #include "lammps.h"
 #include "style_angle.h"
 #include "style_atom.h"
@@ -52,11 +54,31 @@
 #include "error.h"
 
 #include "lmpinstalledpkgs.h"
-
-using namespace LAMMPS_NS;
+#include "lmpgitversion.h"
 
 static void print_style(FILE *fp, const char *str, int &pos);
 
+struct LAMMPS_NS::package_styles_lists {
+  std::map<std::string,std::string> angle_styles;
+  std::map<std::string,std::string> atom_styles;
+  std::map<std::string,std::string> body_styles;
+  std::map<std::string,std::string> bond_styles;
+  std::map<std::string,std::string> command_styles;
+  std::map<std::string,std::string> compute_styles;
+  std::map<std::string,std::string> dihedral_styles;
+  std::map<std::string,std::string> dump_styles;
+  std::map<std::string,std::string> fix_styles;
+  std::map<std::string,std::string> improper_styles;
+  std::map<std::string,std::string> integrate_styles;
+  std::map<std::string,std::string> kspace_styles;
+  std::map<std::string,std::string> minimize_styles;
+  std::map<std::string,std::string> pair_styles;
+  std::map<std::string,std::string> reader_styles;
+  std::map<std::string,std::string> region_styles;
+};
+
+using namespace LAMMPS_NS;
+
 /* ----------------------------------------------------------------------
    start up LAMMPS
    allocate fundamental classes (memory, error, universe, input)
@@ -85,6 +107,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
 
   initclock = MPI_Wtime();
 
+  init_pkg_lists();
+
   // check if -mpi is first arg
   // if so, then 2 apps were launched with one mpirun command
   //   this means passed communicator (e.g. MPI_COMM_WORLD) is bigger than LAMMPS
@@ -692,6 +716,8 @@ LAMMPS::~LAMMPS()
   delete universe;
   delete error;
   delete memory;
+
+  delete pkg_lists;
 }
 
 /* ----------------------------------------------------------------------
@@ -866,11 +892,154 @@ void LAMMPS::destroy()
   python = NULL;
 }
 
+/* ----------------------------------------------------------------------
+   initialize lists of styles in packages
+------------------------------------------------------------------------- */
+
+void _noopt LAMMPS::init_pkg_lists()
+{
+  pkg_lists = new package_styles_lists;
+#define PACKAGE "UNKNOWN"
+#define ANGLE_CLASS
+#define AngleStyle(key,Class)                   \
+  pkg_lists->angle_styles[#key] = PACKAGE;
+#include "packages_angle.h"
+#undef AngleStyle
+#undef ANGLE_CLASS
+#define ATOM_CLASS
+#define AtomStyle(key,Class)                    \
+  pkg_lists->atom_styles[#key] = PACKAGE;
+#include "packages_atom.h"
+#undef AtomStyle
+#undef ATOM_CLASS
+#define BODY_CLASS
+#define BodyStyle(key,Class)                    \
+  pkg_lists->body_styles[#key] = PACKAGE;
+#include "packages_body.h"
+#undef BodyStyle
+#undef BODY_CLASS
+#define BOND_CLASS
+#define BondStyle(key,Class)                    \
+  pkg_lists->bond_styles[#key] = PACKAGE;
+#include "packages_bond.h"
+#undef BondStyle
+#undef BOND_CLASS
+#define COMMAND_CLASS
+#define CommandStyle(key,Class)                 \
+  pkg_lists->command_styles[#key] = PACKAGE;
+#include "packages_command.h"
+#undef CommandStyle
+#undef COMMAND_CLASS
+#define COMPUTE_CLASS
+#define ComputeStyle(key,Class)                 \
+  pkg_lists->compute_styles[#key] = PACKAGE;
+#include "packages_compute.h"
+#undef ComputeStyle
+#undef COMPUTE_CLASS
+#define DIHEDRAL_CLASS
+#define DihedralStyle(key,Class)                \
+  pkg_lists->dihedral_styles[#key] = PACKAGE;
+#include "packages_dihedral.h"
+#undef DihedralStyle
+#undef DIHEDRAL_CLASS
+#define DUMP_CLASS
+#define DumpStyle(key,Class)                    \
+  pkg_lists->dump_styles[#key] = PACKAGE;
+#include "packages_dump.h"
+#undef DumpStyle
+#undef DUMP_CLASS
+#define FIX_CLASS
+#define FixStyle(key,Class)                     \
+  pkg_lists->fix_styles[#key] = PACKAGE;
+#include "packages_fix.h"
+#undef FixStyle
+#undef FIX_CLASS
+#define IMPROPER_CLASS
+#define ImproperStyle(key,Class)                \
+  pkg_lists->improper_styles[#key] = PACKAGE;
+#include "packages_improper.h"
+#undef ImproperStyle
+#undef IMPROPER_CLASS
+#define INTEGRATE_CLASS
+#define IntegrateStyle(key,Class)               \
+  pkg_lists->integrate_styles[#key] = PACKAGE;
+#include "packages_integrate.h"
+#undef IntegrateStyle
+#undef INTEGRATE_CLASS
+#define KSPACE_CLASS
+#define KSpaceStyle(key,Class)                  \
+  pkg_lists->kspace_styles[#key] = PACKAGE;
+#include "packages_kspace.h"
+#undef KSpaceStyle
+#undef KSPACE_CLASS
+#define MINIMIZE_CLASS
+#define MinimizeStyle(key,Class)                \
+  pkg_lists->minimize_styles[#key] = PACKAGE;
+#include "packages_minimize.h"
+#undef MinimizeStyle
+#undef MINIMIZE_CLASS
+#define PAIR_CLASS
+#define PairStyle(key,Class)                    \
+  pkg_lists->pair_styles[#key] = PACKAGE;
+#include "packages_pair.h"
+#undef PairStyle
+#undef PAIR_CLASS
+#define READER_CLASS
+#define ReaderStyle(key,Class)                  \
+  pkg_lists->reader_styles[#key] = PACKAGE;
+#include "packages_reader.h"
+#undef ReaderStyle
+#undef READER_CLASS
+#define REGION_CLASS
+#define RegionStyle(key,Class)                  \
+  pkg_lists->region_styles[#key] = PACKAGE;
+#include "packages_region.h"
+#undef RegionStyle
+#undef REGION_CLASS
+}
+
+bool LAMMPS::is_installed_pkg(const char *pkg) 
+{
+  for (int i=0; installed_packages[i] != NULL; ++i)
+    if (strcmp(installed_packages[i],pkg) == 0) return true;
+
+  return false;
+}
+
+#define check_for_match(style,list,name)                                \
+  if (strcmp(list,#style) == 0) {                                       \
+    std::map<std::string,std::string> &styles(pkg_lists-> style ## _styles); \
+    if (styles.find(name) != styles.end()) {                            \
+      return styles[name].c_str();                                      \
+    }                                                                   \
+  }
+
+const char *LAMMPS::match_style(const char *style, const char *name)
+{
+  check_for_match(angle,style,name);
+  check_for_match(atom,style,name);
+  check_for_match(body,style,name);
+  check_for_match(bond,style,name);
+  check_for_match(command,style,name);
+  check_for_match(compute,style,name);
+  check_for_match(dump,style,name);
+  check_for_match(fix,style,name);
+  check_for_match(compute,style,name);
+  check_for_match(improper,style,name);
+  check_for_match(integrate,style,name);
+  check_for_match(kspace,style,name);
+  check_for_match(minimize,style,name);
+  check_for_match(pair,style,name);
+  check_for_match(reader,style,name);
+  check_for_match(region,style,name);
+  return NULL;
+}
+
 /* ----------------------------------------------------------------------
    help message for command line options and styles present in executable
 ------------------------------------------------------------------------- */
 
-void LAMMPS::help()
+void _noopt LAMMPS::help()
 {
   FILE *fp = screen;
   const char *pager = NULL;
@@ -898,9 +1067,14 @@ void LAMMPS::help()
 
   // general help message about command line and flags
 
+  if (has_git_info) {
+    fprintf(fp,"\nLarge-scale Atomic/Molecular Massively Parallel Simulator - "
+            LAMMPS_VERSION "\nGit info (%s / %s)\n\n",git_branch, git_descriptor);
+  } else {
+    fprintf(fp,"\nLarge-scale Atomic/Molecular Massively Parallel Simulator - "
+            LAMMPS_VERSION "\n\n");
+  }
   fprintf(fp,
-          "\nLarge-scale Atomic/Molecular Massively Parallel Simulator - "
-          LAMMPS_VERSION "\n\n"
           "Usage example: %s -var t 300 -echo screen -in in.alloy\n\n"
           "List of command line options supported by this LAMMPS executable:\n\n"
           "-echo none/screen/log/both  : echoing of input script (-e)\n"
diff --git a/src/lammps.h b/src/lammps.h
index 151b4fc49b4fd1a3d29da0e4cf8ca31c2d06e238..e02d0c764a82cf67e1f64466ffea30abce99dd28 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -63,7 +63,14 @@ class LAMMPS {
 
   class CiteMe *citeme;          // citation info
 
+  const char *match_style(const char *style, const char *name);
   static const char * installed_packages[];
+  static bool is_installed_pkg(const char *pkg);
+
+  static const bool has_git_info;
+  static const char git_commit[];
+  static const char git_branch[];
+  static const char git_descriptor[];
 
   LAMMPS(int, char **, MPI_Comm);
   ~LAMMPS();
@@ -74,6 +81,8 @@ class LAMMPS {
   void print_config(FILE *);    // print compile time settings
 
  private:
+  struct package_styles_lists *pkg_lists;
+  void init_pkg_lists();
   void help();
   LAMMPS() {};                   // prohibit using the default constructor
   LAMMPS(const LAMMPS &) {};     // prohibit using the copy constructor
diff --git a/src/library.cpp b/src/library.cpp
index 429dd14cd9ecb7f1bfa1fce739f66f5136831417..a653b83adba7beba21eba6849010d3fe1a0538c5 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -801,6 +801,17 @@ void lammps_reset_box(void *ptr, double *boxlo, double *boxhi,
      Allreduce to sum vector into data across all procs
 ------------------------------------------------------------------------- */
 
+#if defined(LAMMPS_BIGBIG)
+void lammps_gather_atoms(void *ptr, char * /*name */,
+                         int /*type*/, int /*count*/, void * /*data*/)
+{
+  LAMMPS *lmp = (LAMMPS *) ptr;
+
+  BEGIN_CAPTURE
+  lmp->error->all(FLERR,"Library function lammps_gather_atoms() not compatible with -DLAMMPS_BIGBIG");
+  END_CAPTURE
+}
+#else
 void lammps_gather_atoms(void *ptr, char *name,
                          int type, int count, void *data)
 {
@@ -905,6 +916,7 @@ void lammps_gather_atoms(void *ptr, char *name,
   }
   END_CAPTURE
 }
+#endif
 
 /* ----------------------------------------------------------------------
    gather the named atom-based entity for all atoms
@@ -927,6 +939,17 @@ void lammps_gather_atoms(void *ptr, char *name,
      Allgather Nlocal atoms from each proc into data
 ------------------------------------------------------------------------- */
 
+#if defined(LAMMPS_BIGBIG)
+void lammps_gather_atoms_concat(void *ptr, char * /*name */,
+                                int /*type*/, int /*count*/, void * /*data*/)
+{
+  LAMMPS *lmp = (LAMMPS *) ptr;
+
+  BEGIN_CAPTURE
+  lmp->error->all(FLERR,"Library function lammps_gather_atoms_concat() not compatible with -DLAMMPS_BIGBIG");
+  END_CAPTURE
+}
+#else
 void lammps_gather_atoms_concat(void *ptr, char *name,
                                 int type, int count, void *data)
 {
@@ -1047,6 +1070,7 @@ void lammps_gather_atoms_concat(void *ptr, char *name,
   }
   END_CAPTURE
 }
+#endif
 
 /* ----------------------------------------------------------------------
    gather the named atom-based entity for a subset of atoms
@@ -1071,6 +1095,18 @@ void lammps_gather_atoms_concat(void *ptr, char *name,
      Allreduce to sum vector into data across all procs
 ------------------------------------------------------------------------- */
 
+#if defined(LAMMPS_BIGBIG)
+void lammps_gather_atoms_subset(void *ptr, char * /*name */,
+                                int /*type*/, int /*count*/,
+                                int /*ndata*/, int * /*ids*/, void * /*data*/)
+{
+  LAMMPS *lmp = (LAMMPS *) ptr;
+
+  BEGIN_CAPTURE
+  lmp->error->all(FLERR,"Library function lammps_gather_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
+  END_CAPTURE
+}
+#else
 void lammps_gather_atoms_subset(void *ptr, char *name,
                                 int type, int count,
                                 int ndata, int *ids, void *data)
@@ -1188,6 +1224,7 @@ void lammps_gather_atoms_subset(void *ptr, char *name,
   }
   END_CAPTURE
 }
+#endif
 
 /* ----------------------------------------------------------------------
    scatter the named atom-based entity in data to all atoms
@@ -1205,6 +1242,17 @@ void lammps_gather_atoms_subset(void *ptr, char *name,
      loop over Natoms, if I own atom ID, set its values from data
 ------------------------------------------------------------------------- */
 
+#if defined(LAMMPS_BIGBIG)
+void lammps_scatter_atoms(void *ptr, char * /*name */,
+                          int /*type*/, int /*count*/, void * /*data*/)
+{
+  LAMMPS *lmp = (LAMMPS *) ptr;
+
+  BEGIN_CAPTURE
+  lmp->error->all(FLERR,"Library function lammps_scatter_atoms() not compatible with -DLAMMPS_BIGBIG");
+  END_CAPTURE
+}
+#else
 void lammps_scatter_atoms(void *ptr, char *name,
                           int type, int count, void *data)
 {
@@ -1299,6 +1347,7 @@ void lammps_scatter_atoms(void *ptr, char *name,
   }
   END_CAPTURE
 }
+#endif
 
 /* ----------------------------------------------------------------------
    scatter the named atom-based entity in data to a subset of atoms
@@ -1318,6 +1367,18 @@ void lammps_scatter_atoms(void *ptr, char *name,
      loop over Ndata, if I own atom ID, set its values from data
 ------------------------------------------------------------------------- */
 
+#if defined(LAMMPS_BIGBIG)
+void lammps_scatter_atoms_subset(void *ptr, char * /*name */,
+                                int /*type*/, int /*count*/,
+                                int /*ndata*/, int * /*ids*/, void * /*data*/)
+{
+  LAMMPS *lmp = (LAMMPS *) ptr;
+
+  BEGIN_CAPTURE
+  lmp->error->all(FLERR,"Library function lammps_scatter_atoms_subset() not compatible with -DLAMMPS_BIGBIG");
+  END_CAPTURE
+}
+#else
 void lammps_scatter_atoms_subset(void *ptr, char *name,
                                  int type, int count,
                                  int ndata, int *ids, void *data)
@@ -1363,9 +1424,11 @@ void lammps_scatter_atoms_subset(void *ptr, char *name,
       int *dptr = (int *) data;
 
       if (count == 1) {
-        for (i = 0; i < ndata; i++)
-          if ((m = lmp->atom->map(i+1)) >= 0)
+        for (i = 0; i < ndata; i++) {
+          id = ids[i];
+          if ((m = lmp->atom->map(id)) >= 0)
             vector[m] = dptr[i];
+        }
 
       } else if (imgpack) {
         for (i = 0; i < ndata; i++) {
@@ -1418,6 +1481,7 @@ void lammps_scatter_atoms_subset(void *ptr, char *name,
   }
   END_CAPTURE
 }
+#endif
 
 /* ----------------------------------------------------------------------
    create N atoms and assign them to procs based on coords
diff --git a/src/lmptype.h b/src/lmptype.h
index 4743a38837f814cd139db0717b7dff126a5d7aeb..12fa6cc4fbed763bd2685826024ccc6a63c750e3 100644
--- a/src/lmptype.h
+++ b/src/lmptype.h
@@ -179,6 +179,9 @@ typedef int bigint;
 #ifdef _noalias
 #undef _noalias
 #endif
+#ifdef _noopt
+#undef _noopt
+#endif
 
 // define stack variable alignment
 
@@ -200,6 +203,23 @@ typedef int bigint;
 #define _noalias
 #endif
 
+// declaration to turn off optimization for specific functions
+// and avoid compiler warnings about variable tracking
+
+#if defined(__clang__)
+#  define _noopt __attribute__((optnone))
+#elif defined(__INTEL_COMPILER)
+#  define _noopt
+#elif defined(__GNUC__)
+#  if (__GNUC__ > 4) || ((__GNUC__ == 4) && (__GNUC_MINOR__ >= 9))
+#    define _noopt __attribute__((optimize("O0","no-var-tracking-assignments")))
+#  else
+#    define _noopt __attribute__((optimize("O0")))
+#  endif
+#else
+#  define _noopt
+#endif
+
 // settings to enable LAMMPS to build under Windows
 
 #ifdef _WIN32
diff --git a/src/lmpwindows.h b/src/lmpwindows.h
index 546fa625358b9856cd3e0909a36dc512bc4840d2..5083f0cbb3ce4c7440a64f3bab5caf3255ed4105 100644
--- a/src/lmpwindows.h
+++ b/src/lmpwindows.h
@@ -18,20 +18,19 @@
 #define pclose _pclose
 #define strdup _strdup
 
-// the following functions ared defined to get rid of
-// 'ambiguous call to overloaded function' error in VSS for mismathched type arguments
+// the following functions are defined to get rid of
+// 'ambiguous call to overloaded function' error in VSS for mismatched type arguments
 #if !defined(__MINGW32__)
 inline double pow(int i, int j){
   return pow((double)i,j);
 }
-#endif
-inline double sqrt(int i){
-  return sqrt((double) i);
-}
-
 inline double fabs(int i){
   return fabs((double) i);
 }
+inline double sqrt(int i){
+  return sqrt((double) i);
+}
+#endif
 
 inline double trunc(double x) {
   return x > 0 ? floor(x) : ceil(x);
diff --git a/src/math_extra.cpp b/src/math_extra.cpp
index 0bba2ad40125e7ffa6a65f8fa22552e77bba8371..f7e5bb646b0a7fa8a9e6f3bbb30313879b0c87f1 100644
--- a/src/math_extra.cpp
+++ b/src/math_extra.cpp
@@ -56,7 +56,7 @@ int mldivide3(const double m[3][3], const double *v, double *ans)
       if (fabs(aug[j][i]) > fabs(aug[i][i])) {
         double tempv[4];
         memcpy(tempv,aug[i],4*sizeof(double));
-        memcpy(aug[i],aug[j],4*sizeof(double));
+        memmove(aug[i],aug[j],4*sizeof(double));
         memcpy(aug[j],tempv,4*sizeof(double));
       }
     }
@@ -68,7 +68,7 @@ int mldivide3(const double m[3][3], const double *v, double *ans)
       if (p != i) {
         double tempv[4];
         memcpy(tempv,aug[i],4*sizeof(double));
-        memcpy(aug[i],aug[p],4*sizeof(double));
+        memmove(aug[i],aug[p],4*sizeof(double));
         memcpy(aug[p],tempv,4*sizeof(double));
       }
 
diff --git a/src/memory.cpp b/src/memory.cpp
index 971de3dce6cca6771d2cba400ef922eec2e6557d..b2f8a95b17a83c5b5f5ddec188f4e72c38c6d97e 100644
--- a/src/memory.cpp
+++ b/src/memory.cpp
@@ -26,7 +26,7 @@
 #endif
 #endif
 
-#if defined(LMP_USER_INTEL) && !defined(LAMMPS_MEMALIGN)
+#if defined(LMP_USER_INTEL) && !defined(LAMMPS_MEMALIGN) && !defined(_WIN32)
 #define LAMMPS_MEMALIGN 64
 #endif
 
diff --git a/src/memory.h b/src/memory.h
index df942387fa82a7b312c8d0de870d8c987a4d667c..c5eddc7fe709137e7ce9847b30a02a9b96636d0a 100644
--- a/src/memory.h
+++ b/src/memory.h
@@ -443,44 +443,44 @@ class Memory : protected Pointers {
 
   template <typename TYPE>
   TYPE ****grow(TYPE ****&array, int n1, int n2, int n3, int n4,
-	  const char *name)
+          const char *name)
   {
-	  if (array == NULL) return create(array, n1, n2, n3, n4, name);
-
-	  bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4;
-	  TYPE *data = (TYPE *)srealloc(array[0][0][0], nbytes, name);
-	  nbytes = ((bigint) sizeof(TYPE *)) * n1*n2*n3;
-	  TYPE **cube = (TYPE **)srealloc(array[0][0], nbytes, name);
-	  nbytes = ((bigint) sizeof(TYPE **)) * n1*n2;
-	  TYPE ***plane = (TYPE ***)srealloc(array[0], nbytes, name);
-	  nbytes = ((bigint) sizeof(TYPE ***)) * n1;
-	  array = (TYPE ****)srealloc(array, nbytes, name);
-
-	  int i, j, k;
-	  bigint m1, m2;
-	  bigint n = 0;
-	  for (i = 0; i < n1; i++) {
-		  m2 = ((bigint)i) * n2;
-		  array[i] = &plane[m2];
-		  for (j = 0; j < n2; j++) {
-			  m1 = ((bigint)i) * n2 + j;
-			  m2 = ((bigint)i) * n2*n3 + j*n3;
-			  plane[m1] = &cube[m2];
-			  for (k = 0; k < n3; k++) {
-				  m1 = ((bigint)i) * n2*n3 + j*n3 + k;
-				  cube[m1] = &data[n];
-				  n += n4;
-			  }
-		  }
-	  }
-	  return array;
+          if (array == NULL) return create(array, n1, n2, n3, n4, name);
+
+          bigint nbytes = ((bigint) sizeof(TYPE)) * n1*n2*n3*n4;
+          TYPE *data = (TYPE *)srealloc(array[0][0][0], nbytes, name);
+          nbytes = ((bigint) sizeof(TYPE *)) * n1*n2*n3;
+          TYPE **cube = (TYPE **)srealloc(array[0][0], nbytes, name);
+          nbytes = ((bigint) sizeof(TYPE **)) * n1*n2;
+          TYPE ***plane = (TYPE ***)srealloc(array[0], nbytes, name);
+          nbytes = ((bigint) sizeof(TYPE ***)) * n1;
+          array = (TYPE ****)srealloc(array, nbytes, name);
+
+          int i, j, k;
+          bigint m1, m2;
+          bigint n = 0;
+          for (i = 0; i < n1; i++) {
+                  m2 = ((bigint)i) * n2;
+                  array[i] = &plane[m2];
+                  for (j = 0; j < n2; j++) {
+                          m1 = ((bigint)i) * n2 + j;
+                          m2 = ((bigint)i) * n2*n3 + j*n3;
+                          plane[m1] = &cube[m2];
+                          for (k = 0; k < n3; k++) {
+                                  m1 = ((bigint)i) * n2*n3 + j*n3 + k;
+                                  cube[m1] = &data[n];
+                                  n += n4;
+                          }
+                  }
+          }
+          return array;
   }
 
   template <typename TYPE>
-  TYPE *****grow(TYPE *****&array, int n1, int n2, int n3, int n4,
-	  const char *name)
+  TYPE *****grow(TYPE *****& /*array*/, int /*n1*/, int /*n2*/, int /*n3*/, int /*n4*/,
+          const char *name)
   {
-	  fail(name); return NULL;
+          fail(name); return NULL;
   }
 
 /* ----------------------------------------------------------------------
diff --git a/src/min.cpp b/src/min.cpp
index cd9253f8d30f31fdab356efca3ff50a7bd2e710b..2a42a444a035f985fda5c63a72ca1eb0a707b70b 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -655,7 +655,11 @@ void Min::modify_params(int narg, char **arg)
       else if (strcmp(arg[iarg+1],"forcezero") == 0) linestyle = 2;
       else error->all(FLERR,"Illegal min_modify command");
       iarg += 2;
-    } else error->all(FLERR,"Illegal min_modify command");
+    } else {
+      int n = modify_param(narg-iarg,&arg[iarg]);
+      if (n == 0) error->all(FLERR,"Illegal fix_modify command");
+      iarg += n;
+    }
   }
 }
 
diff --git a/src/min.h b/src/min.h
index 92da97c6640fde9869af2c5d92b3da440d65709a..a63254231cde662e6f0ed2676308643e35815b6f 100644
--- a/src/min.h
+++ b/src/min.h
@@ -38,6 +38,7 @@ class Min : protected Pointers {
   int request(class Pair *, int, double);
   virtual bigint memory_usage() {return 0;}
   void modify_params(int, char **);
+  virtual int modify_param(int, char **) {return 0;}
   double fnorm_sqr();
   double fnorm_inf();
 
diff --git a/src/modify.cpp b/src/modify.cpp
index 0a03bb680471c5793cdec2833183561e35fc7470..3f034bf034d35756a7f25e5051533f83e0f9f875 100644
--- a/src/modify.cpp
+++ b/src/modify.cpp
@@ -28,6 +28,7 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -80,6 +81,11 @@ Modify::Modify(LAMMPS *lmp) : Pointers(lmp)
   ncompute = maxcompute = 0;
   compute = NULL;
 
+  create_factories();
+}
+
+void _noopt Modify::create_factories()
+{
   // fill map with fixes listed in style_fix.h
 
   fix_map = new FixCreatorMap();
@@ -892,11 +898,8 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
     fix[ifix] = fix_creator(lmp,narg,arg);
   }
 
-  if (fix[ifix] == NULL) {
-    char str[128];
-    snprintf(str,128,"Unknown fix style %s",arg[2]);
-    error->all(FLERR,str);
-  }
+  if (fix[ifix] == NULL)
+    error->all(FLERR,utils::check_packages_for_style("fix",arg[2],lmp).c_str());
 
   // check if Fix is in restart_global list
   // if yes, pass state info to the Fix so it can reset itself
@@ -1058,7 +1061,7 @@ int Modify::check_rigid_group_overlap(int groupbit)
 
   int n = 0;
   for (int ifix = 0; ifix < nfix; ifix++) {
-    if (strncmp("rigid",fix[ifix]->style,5) == 0) {
+    if (utils::strmatch(fix[ifix]->style,"^rigid")) {
       const int * const body = (const int *)fix[ifix]->extract("body",dim);
       if ((body == NULL) || (dim != 1)) break;
 
@@ -1194,11 +1197,8 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
     compute[ncompute] = compute_creator(lmp,narg,arg);
   }
 
-  if (compute[ncompute] == NULL) {
-    char str[128];
-    snprintf(str,128,"Unknown compute style %s",arg[2]);
-    error->all(FLERR,str);
-  }
+  if (compute[ncompute] == NULL)
+    error->all(FLERR,utils::check_packages_for_style("compute",arg[2],lmp).c_str());
 
   ncompute++;
 }
diff --git a/src/modify.h b/src/modify.h
index eca4e078599573cf280fde726399069b9091837c..5ff81855feda2fd5477ccabac73e52516de30807 100644
--- a/src/modify.h
+++ b/src/modify.h
@@ -172,6 +172,7 @@ class Modify : protected Pointers {
   FixCreatorMap *fix_map;
 
  protected:
+  void create_factories();
   template <typename T> static Compute *compute_creator(LAMMPS *, int, char **);
   template <typename T> static Fix *fix_creator(LAMMPS *, int, char **);
 };
@@ -224,9 +225,9 @@ The ID and style of a fix match for a fix you are changing with a fix
 command, but the new group you are specifying does not match the old
 group.
 
-E: Unknown fix style %s
+E: Unrecognized fix style %s
 
-UNDOCUMENTED
+The choice of fix style is unknown.
 
 E: Could not find fix_modify ID
 
@@ -240,9 +241,9 @@ E: Reuse of compute ID
 
 A compute ID cannot be used twice.
 
-E: Unknown compute style %s
+E: Unrecognized compute style %s
 
-UNDOCUMENTED
+The choice of compute style is unknown.
 
 E: Could not find compute_modify ID
 
diff --git a/src/my_page.h b/src/my_page.h
index 5cd7098d8c9132654b0cf4c7ec4d01a179910fc5..01542a9174d8fb2883957f4e24745be2c6f505d8 100644
--- a/src/my_page.h
+++ b/src/my_page.h
@@ -48,7 +48,7 @@ methods:
 #ifndef LAMMPS_MY_PAGE_H
 #define LAMMPS_MY_PAGE_H
 
-#if defined(LMP_USER_INTEL) && !defined(LAMMPS_MEMALIGN)
+#if defined(LMP_USER_INTEL) && !defined(LAMMPS_MEMALIGN) && !defined(_WIN32)
 #define LAMMPS_MEMALIGN 64
 #endif
 
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index 84494bfbc5945c19e729c390bf3cc2fb95621e02..038262419857afbf770eab3c090f1afd8bc4a14e 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -46,6 +46,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 #include <map>
 
@@ -471,6 +472,9 @@ void Neighbor::init()
     error->warning(FLERR,"Neighbor exclusions used with KSpace solver "
                    "may give inconsistent Coulombic energies");
 
+  if (lmp->kokkos)
+    set_binsize_kokkos();
+
   // ------------------------------------------------------------------
   // create pairwise lists
   // one-time call to init_styles() to scan style files and setup
@@ -1279,8 +1283,8 @@ void Neighbor::init_topology()
   int bond_off = 0;
   int angle_off = 0;
   for (i = 0; i < modify->nfix; i++)
-    if ((strcmp(modify->fix[i]->style,"shake") == 0)
-        || (strcmp(modify->fix[i]->style,"rattle") == 0))
+    if (utils::strmatch(modify->fix[i]->style,"^shake")
+        || utils::strmatch(modify->fix[i]->style,"^rattle"))
       bond_off = angle_off = 1;
   if (force->bond && force->bond_match("quartic")) bond_off = 1;
 
diff --git a/src/neighbor.h b/src/neighbor.h
index 751beeae4baa47d40cdcf0e7c852e0d056207cd7..3466dd426a3f5245631655c8a7b91f6867e52218 100644
--- a/src/neighbor.h
+++ b/src/neighbor.h
@@ -126,6 +126,8 @@ class Neighbor : protected Pointers {
 
   bigint memory_usage();
 
+  bigint last_setup_bins;          // step of last neighbor::setup_bins() call
+
  protected:
   int me,nprocs;
   int firsttime;                   // flag for calling init_styles() only once
@@ -139,8 +141,6 @@ class Neighbor : protected Pointers {
   int fix_check;                   // # of fixes that induce reneigh
   int *fixchecklist;               // which fixes to check
 
-  bigint last_setup_bins;          // step of last neighbor::setup_bins() call
-
   double triggersq;                // trigger = build when atom moves this dist
 
   double **xhold;                      // atom coords at last neighbor build
@@ -233,6 +233,7 @@ class Neighbor : protected Pointers {
   virtual void init_ex_bit_kokkos() {}
   virtual void init_ex_mol_bit_kokkos() {}
   virtual void grow_ex_mol_intra_kokkos() {}
+  virtual void set_binsize_kokkos() {}
 };
 
 namespace NeighConst {
diff --git a/src/output.cpp b/src/output.cpp
index 884647f478bbb89d1d963048828eabbd51a36458..6253d7de3710a4491801f7878c1caef804b703ba 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -32,6 +32,7 @@
 #include "write_restart.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -585,8 +586,7 @@ void Output::add_dump(int narg, char **arg)
   if (dump_map->find(arg[2]) != dump_map->end()) {
     DumpCreator dump_creator = (*dump_map)[arg[2]];
     dump[ndump] = dump_creator(lmp, narg, arg);
-  }
-  else error->all(FLERR,"Unknown dump style");
+  } else error->all(FLERR,utils::check_packages_for_style("dump",arg[2],lmp).c_str());
 
   every_dump[ndump] = force->inumeric(FLERR,arg[3]);
   if (every_dump[ndump] <= 0) error->all(FLERR,"Illegal dump command");
@@ -675,8 +675,13 @@ void Output::set_thermo(int narg, char **arg)
 {
   if (narg != 1) error->all(FLERR,"Illegal thermo command");
 
+  // always reset var_thermo, so it is possible to switch back from
+  // variable spaced thermo outputs to constant spaced ones.
+
+  delete [] var_thermo;
+  var_thermo = NULL;
+
   if (strstr(arg[0],"v_") == arg[0]) {
-    delete [] var_thermo;
     int n = strlen(&arg[0][2]) + 1;
     var_thermo = new char[n];
     strcpy(var_thermo,&arg[0][2]);
diff --git a/src/output.h b/src/output.h
index 535475934332d53e47b2d0435ce5b2c42a5312f5..1bf4128ee0f190609518500a36ec3629b602f9fb 100644
--- a/src/output.h
+++ b/src/output.h
@@ -152,7 +152,7 @@ E: Invalid dump frequency
 
 Dump frequency must be 1 or greater.
 
-E: Unknown dump style
+E: Unrecognized dump style
 
 The choice of dump style is unknown.
 
diff --git a/src/pair.cpp b/src/pair.cpp
index 44cf3a43eabf609b978fc83619ab6d164c627f62..2b4863a54c6e9a5ac8d9a2d78b0de9e7fdccadc3 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -72,7 +72,10 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
   single_extra = 0;
   svector = NULL;
 
-  ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = 0;
+  setflag = NULL;
+  cutsq = NULL;
+
+  ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = spinflag = 0;
   reinitflag = 1;
 
   // pair_modify settings
@@ -100,6 +103,9 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
   num_tally_compute = 0;
   list_tally_compute = NULL;
 
+  nondefault_history_transfer = 0;
+  beyond_contact = 0;
+
   // KOKKOS per-fix data masks
 
   execution_space = Host;
@@ -180,6 +186,10 @@ void Pair::modify_params(int narg, char **arg)
       else if (strcmp(arg[iarg+1],"no") == 0) compute_flag = 0;
       else error->all(FLERR,"Illegal pair_modify command");
       iarg += 2;
+    } else if (strcmp(arg[iarg],"nofdotr") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
+      no_virial_fdotr_compute = 1;
+      ++iarg;
     } else error->all(FLERR,"Illegal pair_modify command");
   }
 }
@@ -688,8 +698,7 @@ double Pair::mix_distance(double sig1, double sig2)
 
 void Pair::compute_dummy(int eflag, int vflag)
 {
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/pair.h b/src/pair.h
index 27b6d41eef17ec96c4d7dc03c9e2032721ee0c16..7481514daec8dd92f3217a711ec925fe1e5d4682 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -61,6 +61,7 @@ class Pair : protected Pointers {
   int dispersionflag;            // 1 if compatible with LJ/dispersion solver
   int tip4pflag;                 // 1 if compatible with TIP4P solver
   int dipoleflag;                // 1 if compatible with dipole solver
+  int spinflag;			 // 1 if compatible with spin solver
   int reinitflag;                // 1 if compatible with fix adapt and alike
 
   int tail_flag;                 // pair_modify flag for LJ tail correction
@@ -98,6 +99,8 @@ class Pair : protected Pointers {
 
   enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER};   // mixing options
 
+  int beyond_contact, nondefault_history_transfer;   // for granular styles
+
   // KOKKOS host/device flag and data masks
 
   ExecutionSpace execution_space;
@@ -180,6 +183,7 @@ class Pair : protected Pointers {
   virtual void min_xf_pointers(int, double **, double **) {}
   virtual void min_xf_get(int) {}
   virtual void min_x_set(int) {}
+  virtual void transfer_history(double *, double*) {}
 
   // management of callbacks to be run from ev_tally()
 
@@ -202,6 +206,7 @@ class Pair : protected Pointers {
   double tabinner;                     // inner cutoff for Coulomb table
   double tabinner_disp;                 // inner cutoff for dispersion table
 
+
  public:
   // custom data type for accessing Coulomb tables
 
@@ -218,6 +223,10 @@ class Pair : protected Pointers {
   int copymode;   // if set, do not deallocate during destruction
                   // required when classes are used as functors by Kokkos
 
+  void ev_init(int eflag, int vflag, int alloc = 1) {
+    if (eflag||vflag) ev_setup(eflag, vflag, alloc);
+    else ev_unset();
+  }
   virtual void ev_setup(int, int, int alloc = 1);
   void ev_unset();
   void ev_tally_full(int, double, double, double, double, double, double);
diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp
index d9c0fb902c9f833a128344fd9944c205e50518e3..17731ebf0b0fe1d2f83b15c3bd584b004038b178 100644
--- a/src/pair_beck.cpp
+++ b/src/pair_beck.cpp
@@ -63,8 +63,7 @@ void PairBeck::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_born.cpp b/src/pair_born.cpp
index 1a1db9dd905822810dc6cc201c1bf2bc8c006d8e..78434c91f84b190141ac93b8cffb5beeef4422fc 100644
--- a/src/pair_born.cpp
+++ b/src/pair_born.cpp
@@ -71,8 +71,7 @@ void PairBorn::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_born_coul_dsf.cpp b/src/pair_born_coul_dsf.cpp
index be7f41ca2b69ddb9a86eae3a72e3a77b81e2e891..2e565897b5e9f2a8026efd8ba666b1d67ecf61f6 100644
--- a/src/pair_born_coul_dsf.cpp
+++ b/src/pair_born_coul_dsf.cpp
@@ -77,8 +77,7 @@ void PairBornCoulDSF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp
index 22dcfa9f2dd6e623e0a738168970fa4205c7beb3..3bb0e39e5753ee64fa65798fe612565addf432b5 100644
--- a/src/pair_born_coul_wolf.cpp
+++ b/src/pair_born_coul_wolf.cpp
@@ -76,8 +76,7 @@ void PairBornCoulWolf::compute(int eflag, int vflag)
   double erfcc,erfcd,v_sh,dvdrr,e_self,e_shift,f_shift,qisq;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp
index 8b6d79234bb174ff3fffc26ad5278c563d3f40c0..a3cf1a38d629fce282f414b5a85e6c7c3eff2072 100644
--- a/src/pair_buck.cpp
+++ b/src/pair_buck.cpp
@@ -66,8 +66,7 @@ void PairBuck::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp
index 7eecb621214e89fc78428a896874cf36e0f126f4..094797694ce996a3f4d9747cb5e1b064bf9d90ff 100644
--- a/src/pair_buck_coul_cut.cpp
+++ b/src/pair_buck_coul_cut.cpp
@@ -42,7 +42,9 @@ PairBuckCoulCut::PairBuckCoulCut(LAMMPS *lmp) : Pair(lmp)
 
 PairBuckCoulCut::~PairBuckCoulCut()
 {
-  if (!copymode) {
+  if (copymode) return;
+
+  if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 
@@ -71,8 +73,7 @@ void PairBuckCoulCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp
index 8741abdb895893da53453faff9466ffdd0ee7d3d..196e06421921fc33334d03c2350de86ae6824801 100644
--- a/src/pair_coul_cut.cpp
+++ b/src/pair_coul_cut.cpp
@@ -53,8 +53,7 @@ void PairCoulCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -304,6 +303,7 @@ double PairCoulCut::single(int i, int j, int /*itype*/, int /*jtype*/,
 void *PairCoulCut::extract(const char *str, int &dim)
 {
   dim = 2;
+  if (strcmp(str,"cut_coul") == 0) return (void *) &cut;
   if (strcmp(str,"scale") == 0) return (void *) scale;
   return NULL;
 }
diff --git a/src/pair_coul_debye.cpp b/src/pair_coul_debye.cpp
index 432a0155982b67189228de7d978fc6eeb632e725..c8afdabb939e092121f971ed9078d0dd71adfb5f 100644
--- a/src/pair_coul_debye.cpp
+++ b/src/pair_coul_debye.cpp
@@ -40,8 +40,7 @@ void PairCoulDebye::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp
index 8cd5f7feceff4366d4cfc5ef24275889fc8aea0e..e487ff171cc14c389a13b795f39c911fee82f985 100644
--- a/src/pair_coul_dsf.cpp
+++ b/src/pair_coul_dsf.cpp
@@ -68,8 +68,7 @@ void PairCoulDSF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_coul_streitz.cpp b/src/pair_coul_streitz.cpp
index 920770ed7f83f8c16096a3d5e2a46614a24427e2..282c855249f03099795441457732331ba786b533 100644
--- a/src/pair_coul_streitz.cpp
+++ b/src/pair_coul_streitz.cpp
@@ -219,12 +219,6 @@ void PairCoulStreitz::init_style()
       error->all(FLERR,"Pair style requires a KSpace style");
     g_ewald = force->kspace->g_ewald;
   }
-
-  // ptr to QEQ fix
-  //for (i = 0; i < modify->nfix; i++)
-  //  if (strcmp(modify->fix[i]->style,"qeq") == 0) break;
-  //if (i < modify->nfix) fixqeq = (FixQEQ *) modify->fix[i];
-  //else fixqeq = NULL;
 }
 
 /* ----------------------------------------------------------------------
@@ -412,8 +406,7 @@ void PairCoulStreitz::compute(int eflag, int vflag)
   ci_jfi = ci_fifj = dci_jfi = dci_fifj = 0.0;
   forcecoul = 0.0;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   inum = list->inum;
   ilist = list->ilist;
diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp
index 762491166efe79abd0a87478921429568e1fccfe..dbf21b8bee3365ac88063f8f95058e65253b5ccf 100644
--- a/src/pair_coul_wolf.cpp
+++ b/src/pair_coul_wolf.cpp
@@ -64,8 +64,7 @@ void PairCoulWolf::compute(int eflag, int vflag)
   double erfcc,erfcd,v_sh,dvdrr,e_self,e_shift,f_shift,qisq;
 
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp
index 5c5fc4254b4005baaf3ca9b57cf9b6445be00e2b..914b4aee17f767bd79c957f17960fc28fb1d73d3 100644
--- a/src/pair_dpd.cpp
+++ b/src/pair_dpd.cpp
@@ -70,8 +70,7 @@ void PairDPD::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/pair_dpd_tstat.cpp b/src/pair_dpd_tstat.cpp
index f2c0b157eae27a8bc150bfdbe8e9a427c5099d6e..1207c954eb92eeecf1883c1a96cc72a642b114e9 100644
--- a/src/pair_dpd_tstat.cpp
+++ b/src/pair_dpd_tstat.cpp
@@ -43,8 +43,7 @@ void PairDPDTstat::compute(int eflag, int vflag)
   double rsq,r,rinv,dot,wd,randnum,factor_dpd;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   // adjust sigma if target T is changing
 
diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp
index 426389753b79ecbc215e1d9f9d157c61751abc95..2d157d6cac6018f70fa7502577cedd7469f776f5 100644
--- a/src/pair_gauss.cpp
+++ b/src/pair_gauss.cpp
@@ -68,8 +68,7 @@ void PairGauss::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
   int occ = 0;
 
   double **x = atom->x;
diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp
index 2b2304718c7ccd77185314ffbae82b97993f42e9..9aff8a387ad7494fa6118955868fbca034988ccc 100644
--- a/src/pair_hybrid.cpp
+++ b/src/pair_hybrid.cpp
@@ -1,3 +1,4 @@
+
 /* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
@@ -45,7 +46,7 @@ PairHybrid::PairHybrid(LAMMPS *lmp) : Pair(lmp),
 
 PairHybrid::~PairHybrid()
 {
-  if (nstyles) {
+  if (nstyles > 0) {
     for (int m = 0; m < nstyles; m++) {
       delete styles[m];
       delete [] keywords[m];
@@ -95,9 +96,7 @@ void PairHybrid::compute(int eflag, int vflag)
 
   if (no_virial_fdotr_compute && vflag % 4 == 2) vflag = 1 + vflag/4 * 4;
 
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = eflag_global = vflag_global =
-         eflag_atom = vflag_atom = 0;
+  ev_init(eflag,vflag);
 
   // check if global component of incoming vflag = 2
   // if so, reset vflag passed to substyle as if it were 0
@@ -243,11 +242,19 @@ void PairHybrid::settings(int narg, char **arg)
 
   // delete old lists, since cannot just change settings
 
-  if (nstyles) {
-    for (int m = 0; m < nstyles; m++) delete styles[m];
-    delete [] styles;
-    for (int m = 0; m < nstyles; m++) delete [] keywords[m];
-    delete [] keywords;
+  if (nstyles > 0) {
+    for (int m = 0; m < nstyles; m++) {
+      delete styles[m];
+      delete [] keywords[m];
+      if (special_lj[m])   delete [] special_lj[m];
+      if (special_coul[m]) delete [] special_coul[m];
+    }
+    delete[] styles;
+    delete[] keywords;
+    delete[] multiple;
+    delete[] special_lj;
+    delete[] special_coul;
+    delete[] compute_tally;
   }
 
   if (allocated) {
@@ -267,7 +274,6 @@ void PairHybrid::settings(int narg, char **arg)
 
   special_lj = new double*[narg];
   special_coul = new double*[narg];
-
   compute_tally = new int[narg];
 
   // allocate each sub-style
@@ -352,6 +358,7 @@ void PairHybrid::flags()
     if (styles[m]->pppmflag) pppmflag = 1;
     if (styles[m]->msmflag) msmflag = 1;
     if (styles[m]->dipoleflag) dipoleflag = 1;
+    if (styles[m]->spinflag) spinflag = 1;
     if (styles[m]->dispersionflag) dispersionflag = 1;
     if (styles[m]->tip4pflag) tip4pflag = 1;
     if (styles[m]->compute_flag) compute_flag = 1;
@@ -642,6 +649,8 @@ void PairHybrid::write_restart(FILE *fp)
 
   // each sub-style writes its settings, but no coeff info
 
+  fwrite(compute_tally,sizeof(int),nstyles,fp);
+
   int n;
   for (int m = 0; m < nstyles; m++) {
     n = strlen(keywords[m]) + 1;
@@ -670,16 +679,27 @@ void PairHybrid::read_restart(FILE *fp)
 
   // allocate list of sub-styles
 
+  delete[] styles;
+  delete[] keywords;
+  delete[] multiple;
+  delete[] special_lj;
+  delete[] special_coul;
+  delete[] compute_tally;
+
   styles = new Pair*[nstyles];
   keywords = new char*[nstyles];
   multiple = new int[nstyles];
 
   special_lj = new double*[nstyles];
   special_coul = new double*[nstyles];
+  compute_tally = new int[nstyles];
 
   // each sub-style is created via new_pair()
   // each reads its settings, but no coeff info
 
+  if (me == 0) fread(compute_tally,sizeof(int),nstyles,fp);
+  MPI_Bcast(compute_tally,nstyles,MPI_INT,0,world);
+
   int n,dummy;
   for (int m = 0; m < nstyles; m++) {
     if (me == 0) fread(&n,sizeof(int),1,fp);
@@ -925,17 +945,24 @@ void *PairHybrid::extract(const char *str, int &dim)
   void *cutptr = NULL;
   void *ptr;
   double cutvalue = 0.0;
+  int couldim = -1;
 
   for (int m = 0; m < nstyles; m++) {
     ptr = styles[m]->extract(str,dim);
     if (ptr && strcmp(str,"cut_coul") == 0) {
+      if (cutptr && dim != couldim)
+        error->all(FLERR,
+                   "Coulomb styles of pair hybrid sub-styles do not match");
       double *p_newvalue = (double *) ptr;
       double newvalue = *p_newvalue;
-      if (cutptr && newvalue != cutvalue)
+      if (cutptr && (newvalue != cutvalue))
         error->all(FLERR,
                    "Coulomb cutoffs of pair hybrid sub-styles do not match");
-      cutptr = ptr;
-      cutvalue = newvalue;
+      if (dim == 0) {
+        cutptr = ptr;
+        cutvalue = newvalue;
+      }
+      couldim = dim;
     } else if (ptr) return ptr;
   }
 
diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp
index 457eba0e7958d401fb9f1ee24226408e6455fe26..cefe9b87e0dbed27f4033b0fe28c9bf49460464a 100644
--- a/src/pair_lj96_cut.cpp
+++ b/src/pair_lj96_cut.cpp
@@ -73,8 +73,7 @@ void PairLJ96Cut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -308,8 +307,7 @@ void PairLJ96Cut::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp
index 770caa6359b850b2944ebaa9f304b108fb56f20f..fdbfca608f7ce1be3202bc85ac77f3e5ff446f5c 100644
--- a/src/pair_lj_cubic.cpp
+++ b/src/pair_lj_cubic.cpp
@@ -67,8 +67,7 @@ void PairLJCubic::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp
index 13a546f5a5411ca5c19f425defc0f4e9605141d7..2a0fcde3a5b8add7f66be081664d2e622c208c13 100644
--- a/src/pair_lj_cut.cpp
+++ b/src/pair_lj_cut.cpp
@@ -73,8 +73,7 @@ void PairLJCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -305,8 +304,7 @@ void PairLJCut::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp
index 15c06ab36a02f53453e644cd5974c36b72cbf47f..38a6e2c431e84d2b2ae9725e478f63bb1051c018 100644
--- a/src/pair_lj_cut_coul_cut.cpp
+++ b/src/pair_lj_cut_coul_cut.cpp
@@ -67,8 +67,7 @@ void PairLJCutCoulCut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -462,9 +461,8 @@ double PairLJCutCoulCut::single(int i, int j, int itype, int jtype,
 
 void *PairLJCutCoulCut::extract(const char *str, int &dim)
 {
-  dim = 0;
-  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   dim = 2;
+  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
   if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
   if (strcmp(str,"sigma") == 0) return (void *) sigma;
   return NULL;
diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp
index dfd866ca7a01537d96737760ee8443155a6e5ab4..cc6e92b2e358fe5caa3cc4a171321a491257f336 100644
--- a/src/pair_lj_cut_coul_debye.cpp
+++ b/src/pair_lj_cut_coul_debye.cpp
@@ -37,8 +37,7 @@ void PairLJCutCoulDebye::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp
index a49af13fb2737fa8d8a6a09ba19ee92db98b23e7..f114a5851f161593174de0963640345df6537b62 100644
--- a/src/pair_lj_cut_coul_dsf.cpp
+++ b/src/pair_lj_cut_coul_dsf.cpp
@@ -52,21 +52,21 @@ PairLJCutCoulDSF::PairLJCutCoulDSF(LAMMPS *lmp) : Pair(lmp)
 
 PairLJCutCoulDSF::~PairLJCutCoulDSF()
 {
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(epsilon);
-      memory->destroy(sigma);
-      memory->destroy(lj1);
-      memory->destroy(lj2);
-      memory->destroy(lj3);
-      memory->destroy(lj4);
-      memory->destroy(offset);
-    }
+  if (copymode) return;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut_lj);
+    memory->destroy(cut_ljsq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+    memory->destroy(offset);
   }
 }
 
@@ -81,8 +81,7 @@ void PairLJCutCoulDSF::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp
index fc8a858ce1aee20d2e72c50cf2b70fb3e71c7fd5..55aff0d7c5ab0e2515c36b070c9d124117b3d5b2 100644
--- a/src/pair_lj_cut_coul_wolf.cpp
+++ b/src/pair_lj_cut_coul_wolf.cpp
@@ -77,8 +77,7 @@ void PairLJCutCoulWolf::compute(int eflag, int vflag)
 
   evdwl = 0.0;
   ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -218,7 +217,8 @@ void PairLJCutCoulWolf::settings(int narg, char **arg)
 
   alf = force->numeric(FLERR,arg[0]);
   cut_lj_global = force->numeric(FLERR,arg[1]);
-  if (narg == 2) cut_coul = cut_lj_global;
+  if (narg == 3) cut_coul = force->numeric(FLERR,arg[2]);
+  else           cut_coul = cut_lj_global;
 
   if (allocated) {
     int i,j;
diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp
index 9aa58b3b88adb1f9257cac3ff9ed94f15032c3a9..d5c0a40f2d52609296084a060e4cbde5709beea1 100644
--- a/src/pair_lj_expand.cpp
+++ b/src/pair_lj_expand.cpp
@@ -38,8 +38,9 @@ PairLJExpand::PairLJExpand(LAMMPS *lmp) : Pair(lmp)
 
 PairLJExpand::~PairLJExpand()
 {
-  if (!copymode) {
-   if (allocated) {
+  if (copymode) return;
+
+  if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 
@@ -52,7 +53,6 @@ PairLJExpand::~PairLJExpand()
     memory->destroy(lj3);
     memory->destroy(lj4);
     memory->destroy(offset);
-   }
   }
 }
 
@@ -67,8 +67,7 @@ void PairLJExpand::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp
index 495e96c3680388e44add0f6ac4ae537db44b1be1..1fdaefebe984f7ef6692ed9ee00a79a642843f1b 100644
--- a/src/pair_lj_gromacs.cpp
+++ b/src/pair_lj_gromacs.cpp
@@ -41,8 +41,9 @@ PairLJGromacs::PairLJGromacs(LAMMPS *lmp) : Pair(lmp)
 
 PairLJGromacs::~PairLJGromacs()
 {
-  if (!copymode) {
-   if (allocated) {
+  if (copymode) return;
+
+  if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 
@@ -60,7 +61,6 @@ PairLJGromacs::~PairLJGromacs()
     memory->destroy(ljsw3);
     memory->destroy(ljsw4);
     memory->destroy(ljsw5);
-   }
   }
 }
 
@@ -75,8 +75,7 @@ void PairLJGromacs::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp
index 414bfea92a0f2bab8db52a1ba2f0a1f9ffcb7cd0..28dc8ec79b5dd823de071dce626f8b47b2895e4a 100644
--- a/src/pair_lj_gromacs_coul_gromacs.cpp
+++ b/src/pair_lj_gromacs_coul_gromacs.cpp
@@ -41,8 +41,9 @@ PairLJGromacsCoulGromacs::PairLJGromacsCoulGromacs(LAMMPS *lmp) : Pair(lmp)
 
 PairLJGromacsCoulGromacs::~PairLJGromacsCoulGromacs()
 {
-  if (!copymode) {
-   if (allocated) {
+  if (copymode) return;
+
+  if (allocated) {
     memory->destroy(setflag);
     memory->destroy(cutsq);
 
@@ -57,7 +58,6 @@ PairLJGromacsCoulGromacs::~PairLJGromacsCoulGromacs()
     memory->destroy(ljsw3);
     memory->destroy(ljsw4);
     memory->destroy(ljsw5);
-   }
   }
 }
 
@@ -72,8 +72,7 @@ void PairLJGromacsCoulGromacs::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp
index a12046bb3bf9783892d20617e0700d959f88689c..ecacadbffaca7d1a6e63c3f18c2cefdf195eb019 100644
--- a/src/pair_lj_smooth.cpp
+++ b/src/pair_lj_smooth.cpp
@@ -72,8 +72,7 @@ void PairLJSmooth::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp
index 17c789bceed7c2ac3de4881a9924e4971b9198dd..265828c4cf63325055c0951ae490faec6ba6d6e5 100644
--- a/src/pair_lj_smooth_linear.cpp
+++ b/src/pair_lj_smooth_linear.cpp
@@ -62,8 +62,7 @@ void PairLJSmoothLinear::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp
index c1e1c1ff507cd36b769b34577423fe2951d76d45..231832dc489663c8d4c2e8191b4962d810e01f1a 100644
--- a/src/pair_mie_cut.cpp
+++ b/src/pair_mie_cut.cpp
@@ -75,8 +75,7 @@ void PairMIECut::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -310,8 +309,7 @@ void PairMIECut::compute_outer(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp
index c1031343e19e40d63b37a2cf0371f3a117d32109..dca1834c14c5163c9937245a0759cb71504546a0 100644
--- a/src/pair_morse.cpp
+++ b/src/pair_morse.cpp
@@ -59,8 +59,7 @@ void PairMorse::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp
index d1c51ac6006cdb83be753bec80f64783b2048133..7602f7b925d640da1d6d6e15f1828c5ed27b2784 100644
--- a/src/pair_soft.cpp
+++ b/src/pair_soft.cpp
@@ -58,8 +58,7 @@ void PairSoft::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_table.cpp b/src/pair_table.cpp
index 04b1e4ceee8ff3b3daa1b7973ebf185400302584..b1b6f45edadec7dfd1e2d2deab660dc9ddf29852 100644
--- a/src/pair_table.cpp
+++ b/src/pair_table.cpp
@@ -74,8 +74,7 @@ void PairTable::compute(int eflag, int vflag)
   int tlm1 = tablength - 1;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
@@ -379,7 +378,7 @@ void PairTable::read_table(Table *tb, char *file, char *keyword)
     utils::sfgets(FLERR,line,MAXLINE,fp,file,error); // no match, skip section
     param_extract(tb,line);
     utils::sfgets(FLERR,line,MAXLINE,fp,file,error);
-    for (int i = 0; i < tb->ninput; i++) 
+    for (int i = 0; i < tb->ninput; i++)
       utils::sfgets(FLERR,line,MAXLINE,fp,file,error);
   }
 
diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp
index a9f076f504a3303f83d96ad545f7f0ca8315450a..226fb6e7d92cb8bb9a1e9b72d5bfdd9e231d4885 100644
--- a/src/pair_ufm.cpp
+++ b/src/pair_ufm.cpp
@@ -74,8 +74,7 @@ void PairUFM::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp
index af520fd3da793056af62a4907e48a56b5154dd7e..913afbd5a118dc5f0425b9886305ea56b816f22c 100644
--- a/src/pair_yukawa.cpp
+++ b/src/pair_yukawa.cpp
@@ -55,8 +55,7 @@ void PairYukawa::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp
index f23a1e5d56c210c08efb0f1bbd7f18a9a6a28c9f..254a82ea647db64b20033ee302a5cbd3db179c7a 100644
--- a/src/pair_zbl.cpp
+++ b/src/pair_zbl.cpp
@@ -78,8 +78,7 @@ void PairZBL::compute(int eflag, int vflag)
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+  ev_init(eflag,vflag);
 
   double **x = atom->x;
   double **f = atom->f;
diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp
index d423e196af0f47a8789cefb6430d3b5d7a0f36eb..143808f598c802069d0149ada09e01e6b5cf3887 100644
--- a/src/pair_zero.cpp
+++ b/src/pair_zero.cpp
@@ -50,8 +50,7 @@ PairZero::~PairZero()
 
 void PairZero::compute(int eflag, int vflag)
 {
- if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
+ ev_init(eflag,vflag);
 
  if (vflag_fdotr) virial_fdotr_compute();
 }
diff --git a/src/rcb.cpp b/src/rcb.cpp
index 630cef309a581c5da789d2d659783139573427c6..83cdccdf80cf99296ec812f2c930a8d3a1ae30a3 100644
--- a/src/rcb.cpp
+++ b/src/rcb.cpp
@@ -537,7 +537,7 @@ void RCB::compute(int dimension, int n, double **x, double *wt,
       if (dotmark[i] == markactive)
         memcpy(&buf[outgoing++],&dots[i],sizeof(Dot));
       else
-        memcpy(&dots[keep++],&dots[i],sizeof(Dot));
+        memmove(&dots[keep++],&dots[i],sizeof(Dot));
     }
 
     // post receives for dots
@@ -1029,7 +1029,7 @@ void RCB::compute_old(int dimension, int n, double **x, double *wt,
       if (dotmark[i] == markactive)
         memcpy(&buf[outgoing++],&dots[i],sizeof(Dot));
       else
-        memcpy(&dots[keep++],&dots[i],sizeof(Dot));
+        memmove(&dots[keep++],&dots[i],sizeof(Dot));
     }
 
     // post receives for dots
diff --git a/src/read_data.cpp b/src/read_data.cpp
index a640368fb0d5d21d88e18db83d2ba097b4c311db..e70a526c38110ddf741c52078ae93c128d95de15 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -120,6 +120,9 @@ void ReadData::command(int narg, char **arg)
 {
   if (narg < 1) error->all(FLERR,"Illegal read_data command");
 
+  MPI_Barrier(world);
+  double time1 = MPI_Wtime();
+
   // optional args
 
   addflag = NONE;
@@ -396,7 +399,8 @@ void ReadData::command(int narg, char **arg)
 
   // values in this data file
 
-  natoms = ntypes = 0;
+  natoms = 0;
+  ntypes = 0;
   nbonds = nangles = ndihedrals = nimpropers = 0;
   nbondtypes = nangletypes = ndihedraltypes = nimpropertypes = 0;
 
@@ -905,6 +909,18 @@ void ReadData::command(int narg, char **arg)
 
     force->kspace = saved_kspace;
   }
+
+  // total time
+
+  MPI_Barrier(world);
+  double time2 = MPI_Wtime();
+
+  if (comm->me == 0) {
+    if (screen)
+      fprintf(screen,"  read_data CPU = %g secs\n",time2-time1);
+    if (logfile)
+      fprintf(logfile,"  read_data CPU = %g secs\n",time2-time1);
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -993,18 +1009,29 @@ void ReadData::header(int firstpass)
       if (!avec_ellipsoid)
         error->all(FLERR,"No ellipsoids allowed with this atom style");
       sscanf(line,BIGINT_FORMAT,&nellipsoids);
+      if (addflag == NONE) atom->nellipsoids = nellipsoids;
+      else if (firstpass) atom->nellipsoids += nellipsoids;
+
     } else if (strstr(line,"lines")) {
       if (!avec_line)
         error->all(FLERR,"No lines allowed with this atom style");
       sscanf(line,BIGINT_FORMAT,&nlines);
+      if (addflag == NONE) atom->nlines = nlines;
+      else if (firstpass) atom->nlines += nlines;
+
     } else if (strstr(line,"triangles")) {
       if (!avec_tri)
         error->all(FLERR,"No triangles allowed with this atom style");
       sscanf(line,BIGINT_FORMAT,&ntris);
+      if (addflag == NONE) atom->ntris = ntris;
+      else if (firstpass) atom->ntris += ntris;
+
     } else if (strstr(line,"bodies")) {
       if (!avec_body)
         error->all(FLERR,"No bodies allowed with this atom style");
       sscanf(line,BIGINT_FORMAT,&nbodies);
+      if (addflag == NONE) atom->nbodies = nbodies;
+      else if (firstpass) atom->nbodies += nbodies;
 
     } else if (strstr(line,"bonds")) {
       sscanf(line,BIGINT_FORMAT,&nbonds);
@@ -1084,6 +1111,10 @@ void ReadData::header(int firstpass)
   // error check on total system size
 
   if (atom->natoms < 0 || atom->natoms >= MAXBIGINT ||
+      atom->nellipsoids < 0 || atom->nellipsoids >= MAXBIGINT ||
+      atom->nlines < 0 || atom->nlines >= MAXBIGINT ||
+      atom->ntris < 0 || atom->ntris >= MAXBIGINT ||
+      atom->nbodies < 0 || atom->nbodies >= MAXBIGINT ||
       atom->nbonds < 0 || atom->nbonds >= MAXBIGINT ||
       atom->nangles < 0 || atom->nangles >= MAXBIGINT ||
       atom->ndihedrals < 0 || atom->ndihedrals >= MAXBIGINT ||
@@ -1174,6 +1205,10 @@ void ReadData::atoms()
 
   atom->tag_check();
 
+  // check that bonus data has been reserved as needed
+
+  atom->bonus_check();
+
   // create global mapping of atoms
 
   if (atom->map_style) {
@@ -1733,7 +1768,8 @@ void ReadData::paircoeffs()
     next = strchr(buf,'\n');
     *next = '\0';
     parse_coeffs(buf,NULL,1,2,toffset);
-    if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
+    if (narg == 0)
+      error->all(FLERR,"Unexpected empty line in PairCoeffs section");
     force->pair->coeff(narg,arg);
     buf = next + 1;
   }
@@ -1759,7 +1795,8 @@ void ReadData::pairIJcoeffs()
       next = strchr(buf,'\n');
       *next = '\0';
       parse_coeffs(buf,NULL,0,2,toffset);
-      if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
+      if (narg == 0)
+        error->all(FLERR,"Unexpected empty line in PairCoeffs section");
       force->pair->coeff(narg,arg);
       buf = next + 1;
     }
@@ -1783,7 +1820,8 @@ void ReadData::bondcoeffs()
     next = strchr(buf,'\n');
     *next = '\0';
     parse_coeffs(buf,NULL,0,1,boffset);
-    if (narg == 0) error->all(FLERR,"Unexpected end of BondCoeffs section");
+    if (narg == 0)
+      error->all(FLERR,"Unexpected empty line in BondCoeffs section");
     force->bond->coeff(narg,arg);
     buf = next + 1;
   }
@@ -1809,7 +1847,7 @@ void ReadData::anglecoeffs(int which)
     if (which == 0) parse_coeffs(buf,NULL,0,1,aoffset);
     else if (which == 1) parse_coeffs(buf,"bb",0,1,aoffset);
     else if (which == 2) parse_coeffs(buf,"ba",0,1,aoffset);
-    if (narg == 0) error->all(FLERR,"Unexpected end of AngleCoeffs section");
+    if (narg == 0) error->all(FLERR,"Unexpected empty line in AngleCoeffs section");
     force->angle->coeff(narg,arg);
     buf = next + 1;
   }
@@ -1838,7 +1876,8 @@ void ReadData::dihedralcoeffs(int which)
     else if (which == 3) parse_coeffs(buf,"at",0,1,doffset);
     else if (which == 4) parse_coeffs(buf,"aat",0,1,doffset);
     else if (which == 5) parse_coeffs(buf,"bb13",0,1,doffset);
-    if (narg == 0) error->all(FLERR,"Unexpected end of DihedralCoeffs section");
+    if (narg == 0)
+      error->all(FLERR,"Unexpected empty line in DihedralCoeffs section");
     force->dihedral->coeff(narg,arg);
     buf = next + 1;
   }
@@ -1863,7 +1902,7 @@ void ReadData::impropercoeffs(int which)
     *next = '\0';
     if (which == 0) parse_coeffs(buf,NULL,0,1,ioffset);
     else if (which == 1) parse_coeffs(buf,"aa",0,1,ioffset);
-    if (narg == 0) error->all(FLERR,"Unexpected end of ImproperCoeffs section");
+    if (narg == 0) error->all(FLERR,"Unexpected empty line in ImproperCoeffs section");
     force->improper->coeff(narg,arg);
     buf = next + 1;
   }
@@ -2057,6 +2096,10 @@ void ReadData::parse_coeffs(char *line, const char *addstr,
     word = strtok(NULL," \t\n\r\f");
   }
 
+  // to avoid segfaults on empty lines
+
+  if (narg == 0) return;
+  
   if (noffset) {
     int value = force->inumeric(FLERR,arg[0]);
     sprintf(argoffset1,"%d",value+offset);
diff --git a/src/read_data.h b/src/read_data.h
index 7d011c710a09b6b966545a153af412d4d704f04b..26ab6ff3816c1e0490c13dff72138c2c8bd5144f 100644
--- a/src/read_data.h
+++ b/src/read_data.h
@@ -533,25 +533,25 @@ E: Too many lines in one body in data file - boost MAXBODY
 MAXBODY is a setting at the top of the src/read_data.cpp file.
 Set it larger and re-compile the code.
 
-E: Unexpected end of PairCoeffs section
+E: Unexpected empty line in PairCoeffs section
 
-Read a blank line.
+Read a blank line where there should be coefficient data.
 
-E: Unexpected end of BondCoeffs section
+E: Unexpected empty line in BondCoeffs section
 
-Read a blank line.
+Read a blank line where there should be coefficient data.
 
-E: Unexpected end of AngleCoeffs section
+E: Unexpected empty line in AngleCoeffs section
 
-Read a blank line.
+Read a blank line where there should be coefficient data.
 
-E: Unexpected end of DihedralCoeffs section
+E: Unexpected empty line in DihedralCoeffs section
 
-Read a blank line.
+Read a blank line where there should be coefficient data.
 
-E: Unexpected end of ImproperCoeffs section
+E: Unexpected empty line in ImproperCoeffs section
 
-Read a blank line.
+Read a blank line where there should be coefficient data.
 
 E: Cannot open gzipped file
 
diff --git a/src/read_dump.cpp b/src/read_dump.cpp
index 551cc63c9e464096eb8f542a02182cb72462c2e4..395f4c8eddd6816dbca5e2caaef7df7c3552a0b2 100644
--- a/src/read_dump.cpp
+++ b/src/read_dump.cpp
@@ -40,6 +40,7 @@
 #include "variable.h"
 #include "error.h"
 #include "memory.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -94,7 +95,7 @@ ReadDump::~ReadDump()
 
   memory->destroy(fields);
   memory->destroy(buf);
-  
+
   for (int i = 0; i < nreader; i++) delete readers[i];
   delete [] readers;
   delete [] nsnapatoms;
@@ -266,7 +267,7 @@ void ReadDump::setup_reader(int narg, char **arg)
 
   // unrecognized style
 
-  else error->all(FLERR,"Unknown dump reader style");
+  else error->all(FLERR,utils::check_packages_for_style("reader",readerstyle,lmp).c_str());
 
   // pass any arguments to readers
 
@@ -359,7 +360,7 @@ bigint ReadDump::seek(bigint nrequest, int exact)
         readers[i]->skip();
       }
 
-      if (eofflag) 
+      if (eofflag)
         error->one(FLERR,"Read dump parallel files "
                    "do not all have same timestep");
     }
@@ -466,7 +467,7 @@ bigint ReadDump::next(bigint ncurrent, bigint nlast, int nevery, int nskip)
         readers[i]->skip();
       }
 
-      if (eofflag) 
+      if (eofflag)
         error->one(FLERR,"Read dump parallel files "
                    "do not all have same timestep");
     }
@@ -724,7 +725,7 @@ void ReadDump::read_atoms()
       otherproc = 0;
       ofirst = (bigint) otherproc * nsnap/nprocs_cluster;
       olast = (bigint) (otherproc+1) * nsnap/nprocs_cluster;
-      if (olast-ofirst > MAXSMALLINT) 
+      if (olast-ofirst > MAXSMALLINT)
         error->one(FLERR,"Read dump snapshot is too large for a proc");
       nnew = static_cast<int> (olast - ofirst);
 
@@ -765,7 +766,7 @@ void ReadDump::read_atoms()
     } else {
       ofirst = (bigint) me_cluster * nsnap/nprocs_cluster;
       olast = (bigint) (me_cluster+1) * nsnap/nprocs_cluster;
-      if (olast-ofirst > MAXSMALLINT) 
+      if (olast-ofirst > MAXSMALLINT)
         error->one(FLERR,"Read dump snapshot is too large for a proc");
       nnew = static_cast<int> (olast - ofirst);
       if (nnew > maxnew || maxnew == 0) {
@@ -791,7 +792,7 @@ void ReadDump::read_atoms()
     bigint sum = 0;
     for (int i = 0; i < nreader; i++)
       sum += nsnapatoms[i];
-    if (sum > MAXSMALLINT) 
+    if (sum > MAXSMALLINT)
       error->one(FLERR,"Read dump snapshot is too large for a proc");
     nnew = static_cast<int> (sum);
     if (nnew > maxnew || maxnew == 0) {
@@ -811,7 +812,7 @@ void ReadDump::read_atoms()
       }
       nnew += nsnap;
     }
-  }  
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -943,7 +944,7 @@ void ReadDump::process_atoms()
         ntrim++;
       } else i++;
     }
-    
+
     atom->nlocal = nlocal;
     bigint nblocal = atom->nlocal;
     MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
diff --git a/src/read_dump.h b/src/read_dump.h
index 73cb0a8995af556dd7949c17e4bf1cf5b297a6a3..3ee13f779cd40703d17e4b0952764ccb9a10b937 100644
--- a/src/read_dump.h
+++ b/src/read_dump.h
@@ -86,7 +86,7 @@ private:
   double xlo,xhi,ylo,yhi,zlo,zhi,xy,xz,yz;  // dump snapshot box params
   double xprd,yprd,zprd;
 
-  bigint *nsnapatoms;       // # of atoms in one snapshot from 
+  bigint *nsnapatoms;       // # of atoms in one snapshot from
                             //   one (parallel) dump file
                             // nreader-length vector b/c a reader proc
                             //   may read from multiple parallel dump files
@@ -134,7 +134,7 @@ E: Dump file does not contain requested snapshot
 
 Self-explanatory.
 
-E: Unknown dump reader style
+E: Unrecognized dump reader style
 
 The choice of dump reader style via the format keyword is unknown.
 
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 73dc37f4cbd82cbdae9a665f7656582ff3457bd3..6e156da837c7ae3c0e5cb9d46ebc0c532304630a 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -81,6 +81,9 @@ void ReadRestart::command(int narg, char **arg)
   if (domain->box_exist)
     error->all(FLERR,"Cannot read_restart after simulation box is defined");
 
+  MPI_Barrier(world);
+  double time1 = MPI_Wtime();
+
   MPI_Comm_rank(world,&me);
   MPI_Comm_size(world,&nprocs);
 
@@ -562,35 +565,47 @@ void ReadRestart::command(int narg, char **arg)
     Special special(lmp);
     special.build();
   }
+
+  // total time
+
+  MPI_Barrier(world);
+  double time2 = MPI_Wtime();
+
+  if (comm->me == 0) {
+    if (screen)
+      fprintf(screen,"  read_restart CPU = %g secs\n",time2-time1);
+    if (logfile)
+      fprintf(logfile,"  read_restart CPU = %g secs\n",time2-time1);
+  }
 }
 
 /* ----------------------------------------------------------------------
-   infile contains a "*"
-   search for all files which match the infile pattern
+   inpfile contains a "*"
+   search for all files which match the inpfile pattern
    replace "*" with latest timestep value to create outfile name
    search dir referenced by initial pathname of file
-   if infile also contains "%", use "base" when searching directory
+   if inpfile also contains "%", use "base" when searching directory
    only called by proc 0
 ------------------------------------------------------------------------- */
 
-void ReadRestart::file_search(char *infile, char *outfile)
+void ReadRestart::file_search(char *inpfile, char *outfile)
 {
   char *ptr;
 
-  // separate infile into dir + filename
+  // separate inpfile into dir + filename
 
-  char *dirname = new char[strlen(infile) + 1];
-  char *filename = new char[strlen(infile) + 1];
+  char *dirname = new char[strlen(inpfile) + 1];
+  char *filename = new char[strlen(inpfile) + 1];
 
-  if (strchr(infile,'/')) {
-    ptr = strrchr(infile,'/');
+  if (strchr(inpfile,'/')) {
+    ptr = strrchr(inpfile,'/');
     *ptr = '\0';
-    strcpy(dirname,infile);
+    strcpy(dirname,inpfile);
     strcpy(filename,ptr+1);
     *ptr = '/';
   } else {
     strcpy(dirname,"./");
-    strcpy(filename,infile);
+    strcpy(filename,inpfile);
   }
 
   // if filename contains "%" replace "%" with "base"
@@ -636,11 +651,11 @@ void ReadRestart::file_search(char *infile, char *outfile)
   if (maxnum < 0) error->one(FLERR,"Found no restart file matching pattern");
 
   // create outfile with maxint substituted for "*"
-  // use original infile, not pattern, since need to retain "%" in filename
+  // use original inpfile, not pattern, since need to retain "%" in filename
 
-  ptr = strchr(infile,'*');
+  ptr = strchr(inpfile,'*');
   *ptr = '\0';
-  sprintf(outfile,"%s" BIGINT_FORMAT "%s",infile,maxnum,ptr+1);
+  sprintf(outfile,"%s" BIGINT_FORMAT "%s",inpfile,maxnum,ptr+1);
   *ptr = '*';
 
   // clean up
diff --git a/src/replicate.cpp b/src/replicate.cpp
index cdadf1fd1f6e1636f02ef227d2a4a912153f81ba..3c8f4a8aeea283e9664aa99d8c30bc5f0c6a6b31 100644
--- a/src/replicate.cpp
+++ b/src/replicate.cpp
@@ -76,7 +76,7 @@ void Replicate::command(int narg, char **arg)
   if (atom->nextra_grow || atom->nextra_restart || atom->nextra_store)
     error->all(FLERR,"Cannot replicate with fixes that store atom quantities");
 
-  // Record wall time for atom replication
+  // record wall time for atom replication
 
   MPI_Barrier(world);
   double time1 = MPI_Wtime();
@@ -762,15 +762,15 @@ void Replicate::command(int narg, char **arg)
     special.build();
   }
 
-  // Wall time
+  // total time
 
   MPI_Barrier(world);
   double time2 = MPI_Wtime();
 
   if (me == 0) {
     if (screen)
-      fprintf(screen,"  Time spent = %g secs\n",time2-time1);
+      fprintf(screen,"  replicate CPU = %g secs\n",time2-time1);
     if (logfile)
-      fprintf(logfile,"  Time spent = %g secs\n",time2-time1);
+      fprintf(logfile,"  replicate CPU = %g secs\n",time2-time1);
   }
 }
diff --git a/src/respa.cpp b/src/respa.cpp
index 26bae5a1cb3c7be8c5cc160e90d209b2d09b5359..6fa9959d785c3d688e3f41c2a6d0172cd30c025a 100644
--- a/src/respa.cpp
+++ b/src/respa.cpp
@@ -38,6 +38,7 @@
 #include "timer.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 #include "pair_hybrid.h"
 
 using namespace LAMMPS_NS;
@@ -120,7 +121,7 @@ Respa::Respa(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
     } else if (strcmp(arg[iarg],"hybrid") == 0) {
       // the hybrid keyword requires a hybrid pair style
-      if (!strstr(force->pair_style,"hybrid"))
+      if (!utils::strmatch(force->pair_style,"^hybrid"))
         error->all(FLERR,"Illegal run_style respa command");
       PairHybrid *hybrid = (PairHybrid *) force->pair;
       nhybrid_styles = hybrid->nstyles;
diff --git a/src/set.cpp b/src/set.cpp
index 34b86ea328bcea334c0cf7b99d83ec3db9161a21..00b2d8a9b0be28265de356a2d479c2e6ac9884a6 100644
--- a/src/set.cpp
+++ b/src/set.cpp
@@ -964,6 +964,21 @@ void Set::set(int keyword)
     count++;
   }
 
+  // update bonus data numbers
+  if (keyword == SHAPE) {
+    bigint nlocal_bonus = avec_ellipsoid->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->nellipsoids,1,
+                  MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+  if (keyword == LENGTH) {
+    bigint nlocal_bonus = avec_line->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->nlines,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+  if (keyword == TRI) {
+    bigint nlocal_bonus = avec_tri->nlocal_bonus;
+    MPI_Allreduce(&nlocal_bonus,&atom->ntris,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+
   // clear up per-atom memory if allocated
 
   memory->destroy(vec1);
diff --git a/src/special.cpp b/src/special.cpp
index fccc930353ce3a71458f5997355b49110f9006dd..903794c0f6cb2984f15ad472fa0c5f75a511cd13 100644
--- a/src/special.cpp
+++ b/src/special.cpp
@@ -21,12 +21,14 @@
 #include "modify.h"
 #include "fix.h"
 #include "accelerator_kokkos.h"
+#include "atom_masks.h"
 #include "memory.h"
 #include "error.h"
-#include "atom_masks.h"
 
 using namespace LAMMPS_NS;
 
+#define RVOUS 1   // 0 for irregular, 1 for all2all
+
 /* ---------------------------------------------------------------------- */
 
 Special::Special(LAMMPS *lmp) : Pointers(lmp)
@@ -54,18 +56,8 @@ Special::~Special()
 
 void Special::build()
 {
-  int i,j,k,size;
-  int max,maxall,nbuf;
-  tagint *buf;
-
   MPI_Barrier(world);
-
-  int nlocal = atom->nlocal;
-
-  tagint *tag = atom->tag;
-  int *num_bond = atom->num_bond;
-  tagint **bond_atom = atom->bond_atom;
-  int **nspecial = atom->nspecial;
+  double time1 = MPI_Wtime();
 
   if (me == 0 && screen) {
     const double * const special_lj   = force->special_lj;
@@ -79,342 +71,466 @@ void Special::build()
 
   // initialize nspecial counters to 0
 
-  for (i = 0; i < nlocal; i++) {
+  int **nspecial = atom->nspecial;
+  int nlocal = atom->nlocal;
+
+  for (int i = 0; i < nlocal; i++) {
     nspecial[i][0] = 0;
     nspecial[i][1] = 0;
     nspecial[i][2] = 0;
   }
 
-  // -----------------------------------------------------
-  // compute nspecial[i][0] = # of 1-2 neighbors of atom i
-  // -----------------------------------------------------
+  // setup atomIDs and procowner vectors in rendezvous decomposition
 
-  // bond partners stored by atom itself
+  atom_owners();
 
-  for (i = 0; i < nlocal; i++) nspecial[i][0] = num_bond[i];
+  // tally nspecial[i][0] = # of 1-2 neighbors of atom i
+  // create onetwo[i] = list of 1-2 neighbors for atom i
 
-  // if newton_bond off, then done
-  // else only counted 1/2 of all bonds, so count other half
+  if (force->newton_bond) onetwo_build_newton();
+  else onetwo_build_newton_off();
 
-  if (force->newton_bond) {
+  // print max # of 1-2 neighbors
 
-    // nbufmax = largest buffer needed to hold info from any proc
-    // info for each atom = global tag of 2nd atom in each bond
+  if (me == 0) {
+    if (screen) fprintf(screen,"  %d = max # of 1-2 neighbors\n",maxall);
+    if (logfile) fprintf(logfile,"  %d = max # of 1-2 neighbors\n",maxall);
+  }
 
-    nbuf = 0;
-    for (i = 0; i < nlocal; i++) nbuf += num_bond[i];
-    memory->create(buf,nbuf,"special:buf");
+  // done if special_bond weights for 1-3, 1-4 are set to 1.0
 
-    // fill buffer with global tags of bond partners of my atoms
+  if (force->special_lj[2] == 1.0 && force->special_coul[2] == 1.0 &&
+      force->special_lj[3] == 1.0 && force->special_coul[3] == 1.0) {
+    dedup();
+    combine();
+    fix_alteration();
+    memory->destroy(procowner);
+    memory->destroy(atomIDs);
+    timer_output(time1);
+    return;
+  }
 
-    size = 0;
-    for (i = 0; i < nlocal; i++)
-      for (j = 0; j < num_bond[i]; j++)
-        buf[size++] = bond_atom[i][j];
+  // tally nspecial[i][1] = # of 1-3 neighbors of atom i
+  // create onethree[i] = list of 1-3 neighbors for atom i
 
-    // cycle buffer around ring of procs back to self
-    // when receive buffer, scan tags for atoms I own
-    // when find one, increment nspecial count for that atom
+  onethree_build();
 
-    comm->ring(size,sizeof(tagint),buf,1,ring_one,NULL,(void *)this);
+  // print max # of 1-3 neighbors
 
-    memory->destroy(buf);
+  if (me == 0) {
+    if (screen) fprintf(screen,"  %d = max # of 1-3 neighbors\n",maxall);
+    if (logfile) fprintf(logfile,"  %d = max # of 1-3 neighbors\n",maxall);
   }
 
-  // ----------------------------------------------------
-  // create onetwo[i] = list of 1-2 neighbors for atom i
-  // ----------------------------------------------------
+  // done if special_bond weights for 1-4 are set to 1.0
 
-  max = 0;
-  for (i = 0; i < nlocal; i++) max = MAX(max,nspecial[i][0]);
+  if (force->special_lj[3] == 1.0 && force->special_coul[3] == 1.0) {
+    dedup();
+    if (force->special_angle) angle_trim();
+    combine();
+    fix_alteration();
+    memory->destroy(procowner);
+    memory->destroy(atomIDs);
+    timer_output(time1);
+    return;
+  }
 
-  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+  // tally nspecial[i][2] = # of 1-4 neighbors of atom i
+  // create onefour[i] = list of 1-4 neighbors for atom i
+
+  onefour_build();
+
+  // print max # of 1-4 neighbors
 
   if (me == 0) {
-    if (screen) fprintf(screen,"  %d = max # of 1-2 neighbors\n",maxall);
-    if (logfile) fprintf(logfile,"  %d = max # of 1-2 neighbors\n",maxall);
+    if (screen) fprintf(screen,"  %d = max # of 1-4 neighbors\n",maxall);
+    if (logfile) fprintf(logfile,"  %d = max # of 1-4 neighbors\n",maxall);
   }
 
-  memory->create(onetwo,nlocal,maxall,"special:onetwo");
+  // finish processing the onetwo, onethree, onefour lists
+
+  dedup();
+  if (force->special_angle) angle_trim();
+  if (force->special_dihedral) dihedral_trim();
+  combine();
+  fix_alteration();
+  memory->destroy(procowner);
+  memory->destroy(atomIDs);
 
-  // count = accumulating counter
+  timer_output(time1);
+}
 
-  memory->create(count,nlocal,"special:count");
-  for (i = 0; i < nlocal; i++) count[i] = 0;
+/* ----------------------------------------------------------------------
+   setup atomIDs and procowner
+------------------------------------------------------------------------- */
 
-  // add bond partners stored by atom to onetwo list
+void Special::atom_owners()
+{
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
 
-  for (i = 0; i < nlocal; i++)
-    for (j = 0; j < num_bond[i]; j++)
-      onetwo[i][count[i]++] = bond_atom[i][j];
+  int *proclist;
+  memory->create(proclist,nlocal,"special:proclist");
+  IDRvous *idbuf = (IDRvous *)
+    memory->smalloc((bigint) nlocal*sizeof(IDRvous),"special:idbuf");
 
-  // if newton_bond off, then done
-  // else only stored 1/2 of all bonds, so store other half
+  // setup input buf for rendezvous comm
+  // one datum for each owned atom: datum = owning proc, atomID
+  // each proc assigned every 1/Pth atom
 
-  if (force->newton_bond) {
+  for (int i = 0; i < nlocal; i++) {
+    proclist[i] = tag[i] % nprocs;
+    idbuf[i].me = me;
+    idbuf[i].atomID = tag[i];
+  }
 
-    // nbufmax = largest buffer needed to hold info from any proc
-    // info for each atom = 2 global tags in each bond
+  // perform rendezvous operation
 
-    nbuf = 0;
-    for (i = 0; i < nlocal; i++) nbuf += 2*num_bond[i];
-    memory->create(buf,nbuf,"special:buf");
+  char *buf;
+  comm->rendezvous(RVOUS,nlocal,(char *) idbuf,sizeof(IDRvous),0,proclist,
+                   rendezvous_ids,0,buf,0,(void *) this);
 
-    // fill buffer with global tags of both atoms in bond
+  memory->destroy(proclist);
+  memory->sfree(idbuf);
+}
 
-    size = 0;
-    for (i = 0; i < nlocal; i++)
-      for (j = 0; j < num_bond[i]; j++) {
-        buf[size++] = tag[i];
-        buf[size++] = bond_atom[i][j];
-      }
+/* ----------------------------------------------------------------------
+   onetwo build when newton_bond flag on
+   uses rendezvous comm
+------------------------------------------------------------------------- */
 
-    // cycle buffer around ring of procs back to self
-    // when receive buffer, scan 2nd-atom tags for atoms I own
-    // when find one, add 1st-atom tag to onetwo list for 2nd atom
+void Special::onetwo_build_newton()
+{
+  int i,j,m;
+
+  tagint *tag = atom->tag;
+  int *num_bond = atom->num_bond;
+  tagint **bond_atom = atom->bond_atom;
+  int **nspecial = atom->nspecial;
+  int nlocal = atom->nlocal;
 
-    comm->ring(size,sizeof(tagint),buf,2,ring_two,NULL,(void *)this);
+  // nsend = # of my datums to send
 
-    memory->destroy(buf);
+  int nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < num_bond[i]; j++) {
+      m = atom->map(bond_atom[i][j]);
+      if (m < 0 || m >= nlocal) nsend++;
+    }
   }
 
-  memory->destroy(count);
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  PairRvous *inbuf = (PairRvous *)
+    memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
 
-  // -----------------------------------------------------
-  // done if special_bond weights for 1-3, 1-4 are set to 1.0
-  // -----------------------------------------------------
+  // setup input buf to rendezvous comm
+  // one datum for each unowned bond partner: bond partner ID, atomID
+  // owning proc for each datum = bond partner ID % nprocs
 
-  if (force->special_lj[2] == 1.0 && force->special_coul[2] == 1.0 &&
-      force->special_lj[3] == 1.0 && force->special_coul[3] == 1.0) {
-    dedup();
-    combine();
-    fix_alteration();
-    return;
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < num_bond[i]; j++) {
+      m = atom->map(bond_atom[i][j]);
+      if (m >= 0 && m < nlocal) continue;
+      proclist[nsend] = bond_atom[i][j] % nprocs;
+      inbuf[nsend].atomID = bond_atom[i][j];
+      inbuf[nsend].partnerID = tag[i];
+      nsend++;
+    }
   }
 
-  // -----------------------------------------------------
-  // compute nspecial[i][1] = # of 1-3 neighbors of atom i
-  // -----------------------------------------------------
+  // perform rendezvous operation
 
-  // nbufmax = largest buffer needed to hold info from any proc
-  // info for each atom = 2 scalars + list of 1-2 neighbors
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
+                                 0,proclist,
+                                 rendezvous_pairs,0,buf,sizeof(PairRvous),
+                                 (void *) this);
+  PairRvous *outbuf = (PairRvous *) buf;
 
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) nbuf += 2 + nspecial[i][0];
-  memory->create(buf,nbuf,"special:buf");
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
 
-  // fill buffer with:
-  // (1) = counter for 1-3 neighbors, initialized to 0
-  // (2) = # of 1-2 neighbors
-  // (3:N) = list of 1-2 neighbors
+  // set nspecial[0] and onetwo for all owned atoms
+  // based on owned info plus rendezvous output info
+  // output datums = pairs of atoms that are 1-2 neighbors
 
-  size = 0;
   for (i = 0; i < nlocal; i++) {
-    buf[size++] = 0;
-    buf[size++] = nspecial[i][0];
-    for (j = 0; j < nspecial[i][0]; j++) buf[size++] = onetwo[i][j];
+    for (j = 0; j < num_bond[i]; j++) {
+      nspecial[i][0]++;
+      m = atom->map(bond_atom[i][j]);
+      if (m >= 0 && m < nlocal) nspecial[m][0]++;
+    }
   }
 
-  // cycle buffer around ring of procs back to self
-  // when receive buffer, scan list of 1-2 neighbors for atoms I own
-  // when find one, increment 1-3 count by # of 1-2 neighbors of my atom,
-  //   subtracting one since my list will contain original atom
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    nspecial[i][0]++;
+  }
 
-  comm->ring(size,sizeof(tagint),buf,3,ring_three,buf,(void *)this);
+  int max = 0;
+  for (i = 0; i < nlocal; i++)
+    max = MAX(max,nspecial[i][0]);
 
-  // extract count from buffer that has cycled back to me
-  // nspecial[i][1] = # of 1-3 neighbors of atom i
+  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+  memory->create(onetwo,nlocal,maxall,"special:onetwo");
+
+  for (i = 0; i < nlocal; i++) nspecial[i][0] = 0;
 
-  j = 0;
   for (i = 0; i < nlocal; i++) {
-    nspecial[i][1] = buf[j];
-    j += 2 + nspecial[i][0];
+    for (j = 0; j < num_bond[i]; j++) {
+      onetwo[i][nspecial[i][0]++] = bond_atom[i][j];
+      m = atom->map(bond_atom[i][j]);
+      if (m >= 0 && m < nlocal) onetwo[m][nspecial[m][0]++] = tag[i];
+    }
   }
 
-  memory->destroy(buf);
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    onetwo[i][nspecial[i][0]++] = outbuf[m].partnerID;
+  }
 
-  // ----------------------------------------------------
-  // create onethree[i] = list of 1-3 neighbors for atom i
-  // ----------------------------------------------------
+  memory->sfree(outbuf);
+}
 
-  max = 0;
-  for (i = 0; i < nlocal; i++) max = MAX(max,nspecial[i][1]);
-  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+/* ----------------------------------------------------------------------
+   onetwo build with newton_bond flag off
+   no need for rendezvous comm
+------------------------------------------------------------------------- */
 
-  if (me == 0) {
-    if (screen) fprintf(screen,"  %d = max # of 1-3 neighbors\n",maxall);
-    if (logfile) fprintf(logfile,"  %d = max # of 1-3 neighbors\n",maxall);
-  }
+void Special::onetwo_build_newton_off()
+{
+  int i,j;
 
-  memory->create(onethree,nlocal,maxall,"special:onethree");
+  int *num_bond = atom->num_bond;
+  tagint **bond_atom = atom->bond_atom;
+  int **nspecial = atom->nspecial;
+  int nlocal = atom->nlocal;
 
-  // nbufmax = largest buffer needed to hold info from any proc
-  // info for each atom = 4 scalars + list of 1-2 neighs + list of 1-3 neighs
+  int max = 0;
+  for (i = 0; i < nlocal; i++)
+    max = MAX(max,num_bond[i]);
 
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) nbuf += 4 + nspecial[i][0] + nspecial[i][1];
-  memory->create(buf,nbuf,"special:buf");
+  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+  memory->create(onetwo,nlocal,maxall,"special:onetwo");
 
-  // fill buffer with:
-  // (1) = global tag of original atom
-  // (2) = # of 1-2 neighbors
-  // (3) = # of 1-3 neighbors
-  // (4) = counter for 1-3 neighbors, initialized to 0
-  // (5:N) = list of 1-2 neighbors
-  // (N+1:2N) space for list of 1-3 neighbors
+  // nsend = # of my datums to send
+  // include nlocal datums with owner of each atom
 
-  size = 0;
   for (i = 0; i < nlocal; i++) {
-    buf[size++] = tag[i];
-    buf[size++] = nspecial[i][0];
-    buf[size++] = nspecial[i][1];
-    buf[size++] = 0;
-    for (j = 0; j < nspecial[i][0]; j++) buf[size++] = onetwo[i][j];
-    size += nspecial[i][1];
+    nspecial[i][0] = num_bond[i];
+    for (j = 0; j < num_bond[i]; j++)
+      onetwo[i][j] = bond_atom[i][j];
   }
+}
 
-  // cycle buffer around ring of procs back to self
-  // when receive buffer, scan list of 1-2 neighbors for atoms I own
-  // when find one, add its neighbors to 1-3 list
-  //   increment the count in buf(i+4)
-  //   exclude the atom whose tag = original
-  //   this process may include duplicates but they will be culled later
+/* ----------------------------------------------------------------------
+   onethree build
+   uses rendezvous comm
+------------------------------------------------------------------------- */
+
+void Special::onethree_build()
+{
+  int i,j,k,m,proc;
 
-  comm->ring(size,sizeof(tagint),buf,4,ring_four,buf,(void *)this);
+  int **nspecial = atom->nspecial;
+  int nlocal = atom->nlocal;
 
-  // fill onethree with buffer values that have been returned to me
-  // sanity check: accumulated buf[i+3] count should equal
-  //   nspecial[i][1] for each atom
+  // nsend = # of my datums to send
 
-  j = 0;
+  int nsend = 0;
   for (i = 0; i < nlocal; i++) {
-    if (buf[j+3] != nspecial[i][1])
-      error->one(FLERR,"1-3 bond count is inconsistent");
-    j += 4 + nspecial[i][0];
-    for (k = 0; k < nspecial[i][1]; k++)
-      onethree[i][k] = buf[j++];
+    for (j = 0; j < nspecial[i][0]; j++) {
+      m = atom->map(onetwo[i][j]);
+      if (m < 0 || m >= nlocal) nsend += nspecial[i][0]-1;
+    }
   }
 
-  memory->destroy(buf);
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  PairRvous *inbuf = (PairRvous *)
+    memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
 
-  // done if special_bond weights for 1-4 are set to 1.0
+  // setup input buf to rendezvous comm
+  // datums = pairs of onetwo partners where either is unknown
+  //          these pairs are onethree neighbors
+  //          datum = onetwo ID, onetwo ID
+  // owning proc for each datum = onetwo ID % nprocs
 
-  if (force->special_lj[3] == 1.0 && force->special_coul[3] == 1.0) {
-    dedup();
-    if (force->special_angle) angle_trim();
-    combine();
-    fix_alteration();
-    return;
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < nspecial[i][0]; j++) {
+      m = atom->map(onetwo[i][j]);
+      if (m >= 0 && m < nlocal) continue;
+      proc = onetwo[i][j] % nprocs;
+      for (k = 0; k < nspecial[i][0]; k++) {
+        if (j == k) continue;
+        proclist[nsend] = proc;
+        inbuf[nsend].atomID = onetwo[i][j];
+        inbuf[nsend].partnerID = onetwo[i][k];
+        nsend++;
+      }
+    }
   }
 
-  // -----------------------------------------------------
-  // compute nspecial[i][2] = # of 1-4 neighbors of atom i
-  // -----------------------------------------------------
+  // perform rendezvous operation
 
-  // nbufmax = largest buffer needed to hold info from any proc
-  // info for each atom = 2 scalars + list of 1-3 neighbors
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
+                                 0,proclist,
+                                 rendezvous_pairs,0,buf,sizeof(PairRvous),
+                                 (void *) this);
+  PairRvous *outbuf = (PairRvous *) buf;
 
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++) nbuf += 2 + nspecial[i][1];
-  memory->create(buf,nbuf,"special:buf");
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
 
-  // fill buffer with:
-  // (1) = counter for 1-4 neighbors, initialized to 0
-  // (2) = # of 1-3 neighbors
-  // (3:N) = list of 1-3 neighbors
+  // set nspecial[1] and onethree for all owned atoms
+  // based on owned info plus rendezvous output info
+  // output datums = pairs of atoms that are 1-3 neighbors
 
-  size = 0;
   for (i = 0; i < nlocal; i++) {
-    buf[size++] = 0;
-    buf[size++] = nspecial[i][1];
-    for (j = 0; j < nspecial[i][1]; j++) buf[size++] = onethree[i][j];
+    for (j = 0; j < nspecial[i][0]; j++) {
+      m = atom->map(onetwo[i][j]);
+      if (m >= 0 && m < nlocal) nspecial[m][1] += nspecial[i][0]-1;
+    }
+  }
+
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    nspecial[i][1]++;
   }
 
-  // cycle buffer around ring of procs back to self
-  // when receive buffer, scan list of 1-3 neighbors for atoms I own
-  // when find one, increment 1-4 count by # of 1-2 neighbors of my atom
-  //   may include duplicates and original atom but they will be culled later
+  int max = 0;
+  for (i = 0; i < nlocal; i++)
+    max = MAX(max,nspecial[i][1]);
 
-  comm->ring(size,sizeof(tagint),buf,5,ring_five,buf,(void *)this);
+  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+  memory->create(onethree,nlocal,maxall,"special:onethree");
 
-  // extract count from buffer that has cycled back to me
-  // nspecial[i][2] = # of 1-4 neighbors of atom i
+  for (i = 0; i < nlocal; i++) nspecial[i][1] = 0;
 
-  j = 0;
   for (i = 0; i < nlocal; i++) {
-    nspecial[i][2] = buf[j];
-    j += 2 + nspecial[i][1];
+    for (j = 0; j < nspecial[i][0]; j++) {
+      m = atom->map(onetwo[i][j]);
+      if (m < 0 || m >= nlocal) continue;
+      for (k = 0; k < nspecial[i][0]; k++) {
+        if (j == k) continue;
+        onethree[m][nspecial[m][1]++] = onetwo[i][k];
+      }
+    }
   }
 
-  memory->destroy(buf);
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    onethree[i][nspecial[i][1]++] = outbuf[m].partnerID;
+  }
 
-  // ----------------------------------------------------
-  // create onefour[i] = list of 1-4 neighbors for atom i
-  // ----------------------------------------------------
+  memory->sfree(outbuf);
+}
 
-  max = 0;
-  for (i = 0; i < nlocal; i++) max = MAX(max,nspecial[i][2]);
-  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+/* ----------------------------------------------------------------------
+   onefour build
+   uses rendezvous comm
+------------------------------------------------------------------------- */
 
-  if (me == 0) {
-    if (screen) fprintf(screen,"  %d = max # of 1-4 neighbors\n",maxall);
-    if (logfile) fprintf(logfile,"  %d = max # of 1-4 neighbors\n",maxall);
+void Special::onefour_build()
+{
+  int i,j,k,m,proc;
+
+  int **nspecial = atom->nspecial;
+  int nlocal = atom->nlocal;
+
+  // nsend = # of my datums to send
+
+  int nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < nspecial[i][1]; j++) {
+      m = atom->map(onethree[i][j]);
+      if (m < 0 || m >= nlocal) nsend += nspecial[i][0];
+    }
   }
 
-  memory->create(onefour,nlocal,maxall,"special:onefour");
+  int *proclist;
+  memory->create(proclist,nsend,"special:proclist");
+  PairRvous *inbuf = (PairRvous *)
+    memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
 
-  // nbufmax = largest buffer needed to hold info from any proc
-  // info for each atom = 3 scalars + list of 1-3 neighs + list of 1-4 neighs
+  // setup input buf to rendezvous comm
+  // datums = pairs of onethree and onetwo partners where onethree is unknown
+  //          these pairs are onefour neighbors
+  //          datum = onetwo ID, onetwo ID
+  // owning proc for each datum = onethree ID % nprocs
 
-  nbuf = 0;
-  for (i = 0; i < nlocal; i++)
-    nbuf += 3 + nspecial[i][1] + nspecial[i][2];
-  memory->create(buf,nbuf,"special:buf");
+  nsend = 0;
+  for (i = 0; i < nlocal; i++) {
+    for (j = 0; j < nspecial[i][1]; j++) {
+      m = atom->map(onethree[i][j]);
+      if (m >= 0 && m < nlocal) continue;
+      proc = onethree[i][j] % nprocs;
+      for (k = 0; k < nspecial[i][0]; k++) {
+        proclist[nsend] = proc;
+        inbuf[nsend].atomID = onethree[i][j];
+        inbuf[nsend].partnerID = onetwo[i][k];
+        nsend++;
+      }
+    }
+  }
+
+  // perform rendezvous operation
+
+  char *buf;
+  int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
+                                 0,proclist,
+                                 rendezvous_pairs,0,buf,sizeof(PairRvous),
+                                 (void *) this);
+  PairRvous *outbuf = (PairRvous *) buf;
 
-  // fill buffer with:
-  // (1) = # of 1-3 neighbors
-  // (2) = # of 1-4 neighbors
-  // (3) = counter for 1-4 neighbors, initialized to 0
-  // (4:N) = list of 1-3 neighbors
-  // (N+1:2N) space for list of 1-4 neighbors
+  memory->destroy(proclist);
+  memory->sfree(inbuf);
+
+  // set nspecial[2] and onefour for all owned atoms
+  // based on owned info plus rendezvous output info
+  // output datums = pairs of atoms that are 1-4 neighbors
 
-  size = 0;
   for (i = 0; i < nlocal; i++) {
-    buf[size++] = nspecial[i][1];
-    buf[size++] = nspecial[i][2];
-    buf[size++] = 0;
-    for (j = 0; j < nspecial[i][1]; j++) buf[size++] = onethree[i][j];
-    size += nspecial[i][2];
+    for (j = 0; j < nspecial[i][1]; j++) {
+      m = atom->map(onethree[i][j]);
+      if (m >= 0 && m < nlocal) nspecial[m][2] += nspecial[i][0];
+    }
   }
 
-  // cycle buffer around ring of procs back to self
-  // when receive buffer, scan list of 1-3 neighbors for atoms I own
-  // when find one, add its neighbors to 1-4 list
-  //   incrementing the count in buf(i+4)
-  //   this process may include duplicates but they will be culled later
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    nspecial[i][2]++;
+  }
+
+  int max = 0;
+  for (i = 0; i < nlocal; i++)
+    max = MAX(max,nspecial[i][2]);
 
-  comm->ring(size,sizeof(tagint),buf,6,ring_six,buf,(void *)this);
+  MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+  memory->create(onefour,nlocal,maxall,"special:onefour");
 
-  // fill onefour with buffer values that have been returned to me
-  // sanity check: accumulated buf[i+2] count should equal
-  //  nspecial[i][2] for each atom
+  for (i = 0; i < nlocal; i++) nspecial[i][2] = 0;
 
-  j = 0;
   for (i = 0; i < nlocal; i++) {
-    if (buf[j+2] != nspecial[i][2])
-      error->one(FLERR,"1-4 bond count is inconsistent");
-    j += 3 + nspecial[i][1];
-    for (k = 0; k < nspecial[i][2]; k++)
-      onefour[i][k] = buf[j++];
+    for (j = 0; j < nspecial[i][1]; j++) {
+      m = atom->map(onethree[i][j]);
+      if (m < 0 || m >= nlocal) continue;
+      for (k = 0; k < nspecial[i][0]; k++) {
+        onefour[m][nspecial[m][2]++] = onetwo[i][k];
+      }
+    }
   }
 
-  memory->destroy(buf);
+  for (m = 0; m < nreturn; m++) {
+    i = atom->map(outbuf[m].atomID);
+    onefour[i][nspecial[i][2]++] = outbuf[m].partnerID;
+  }
 
-  dedup();
-  if (force->special_angle) angle_trim();
-  if (force->special_dihedral) dihedral_trim();
-  combine();
-  fix_alteration();
+  memory->sfree(outbuf);
 }
 
 /* ----------------------------------------------------------------------
@@ -659,21 +775,24 @@ void Special::combine()
    trim list of 1-3 neighbors by checking defined angles
    delete a 1-3 neigh if they are not end atoms of a defined angle
      and if they are not 1,3 or 2,4 atoms of a defined dihedral
+   uses rendezvous comm
 ------------------------------------------------------------------------- */
 
 void Special::angle_trim()
 {
-  int i,j,m,n;
+  int i,j,k,m;;
 
   int *num_angle = atom->num_angle;
   int *num_dihedral = atom->num_dihedral;
   tagint **angle_atom1 = atom->angle_atom1;
+  tagint **angle_atom2 = atom->angle_atom2;
   tagint **angle_atom3 = atom->angle_atom3;
   tagint **dihedral_atom1 = atom->dihedral_atom1;
   tagint **dihedral_atom2 = atom->dihedral_atom2;
   tagint **dihedral_atom3 = atom->dihedral_atom3;
   tagint **dihedral_atom4 = atom->dihedral_atom4;
   int **nspecial = atom->nspecial;
+  tagint *tag = atom->tag;
   int nlocal = atom->nlocal;
 
   // stats on old 1-3 neighbor counts
@@ -692,75 +811,221 @@ void Special::angle_trim()
               "  %g = # of 1-3 neighbors before angle trim\n",allcount);
   }
 
-  // if angles or dihedrals are defined,
-  // flag each 1-3 neigh if it appears in an angle or dihedral
+  // if angles or dihedrals are defined
+  // rendezvous angle 1-3 and dihedral 1-3,2-4 pairs
 
   if ((num_angle && atom->nangles) || (num_dihedral && atom->ndihedrals)) {
 
-    // dflag = flag for 1-3 neighs of all owned atoms
-
-    int maxcount = 0;
-    for (i = 0; i < nlocal; i++) maxcount = MAX(maxcount,nspecial[i][1]);
-    memory->create(dflag,nlocal,maxcount,"special::dflag");
+    // nsend = # of my datums to send
+    // latter is only for angles or dihedrlas where I own atom2 (newton bond off)
 
+    int nsend = 0;
     for (i = 0; i < nlocal; i++) {
-      n = nspecial[i][1];
-      for (j = 0; j < n; j++) dflag[i][j] = 0;
+      if (num_angle) {
+        for (j = 0; j < num_angle[i]; j++) {
+          if (tag[i] != angle_atom2[i][j]) continue;
+          m = atom->map(angle_atom1[i][j]);
+          if (m < 0 || m >= nlocal) nsend++;
+          m = atom->map(angle_atom3[i][j]);
+          if (m < 0 || m >= nlocal) nsend++;
+        }
+      }
+
+      if (num_dihedral) {
+        for (j = 0; j < num_dihedral[i]; j++) {
+          if (tag[i] != dihedral_atom2[i][j]) continue;
+          m = atom->map(dihedral_atom1[i][j]);
+          if (m < 0 || m >= nlocal) nsend++;
+          m = atom->map(dihedral_atom3[i][j]);
+          if (m < 0 || m >= nlocal) nsend++;
+          m = atom->map(dihedral_atom4[i][j]);
+          if (m < 0 || m >= nlocal) nsend++;
+        }
+      }
     }
 
-    // nbufmax = largest buffer needed to hold info from any proc
-    // info for each atom = list of 1,3 atoms in each angle stored by atom
-    //   and list of 1,3 and 2,4 atoms in each dihedral stored by atom
+    int *proclist;
+    memory->create(proclist,nsend,"special:proclist");
+    PairRvous *inbuf = (PairRvous *)
+      memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
+
+    // setup input buf to rendezvous comm
+    // datums = pairs of onetwo partners where either is unknown
+    //          these pairs are onethree neighbors
+    //          datum = onetwo ID, onetwo ID
+    // owning proc for each datum = onetwo ID % nprocs
 
-    int nbuf = 0;
+    nsend = 0;
     for (i = 0; i < nlocal; i++) {
-      if (num_angle && atom->nangles) nbuf += 2*num_angle[i];
-      if (num_dihedral && atom->ndihedrals) nbuf += 2*2*num_dihedral[i];
+      if (num_angle) {
+        for (j = 0; j < num_angle[i]; j++) {
+          if (tag[i] != angle_atom2[i][j]) continue;
+
+          m = atom->map(angle_atom1[i][j]);
+          if (m < 0 || m >= nlocal) {
+            proclist[nsend] = angle_atom1[i][j] % nprocs;
+            inbuf[nsend].atomID = angle_atom1[i][j];
+            inbuf[nsend].partnerID = angle_atom3[i][j];
+            nsend++;
+          }
+
+          m = atom->map(angle_atom3[i][j]);
+          if (m < 0 || m >= nlocal) {
+            proclist[nsend] = angle_atom3[i][j] % nprocs;
+            inbuf[nsend].atomID = angle_atom3[i][j];
+            inbuf[nsend].partnerID = angle_atom1[i][j];
+            nsend++;
+          }
+        }
+      }
+
+      if (num_dihedral) {
+        for (j = 0; j < num_dihedral[i]; j++) {
+          if (tag[i] != dihedral_atom2[i][j]) continue;
+
+          m = atom->map(dihedral_atom1[i][j]);
+          if (m < 0 || m >= nlocal) {
+            proclist[nsend] = dihedral_atom1[i][j] % nprocs;
+            inbuf[nsend].atomID = dihedral_atom1[i][j];
+            inbuf[nsend].partnerID = dihedral_atom3[i][j];
+            nsend++;
+          }
+
+          m = atom->map(dihedral_atom3[i][j]);
+          if (m < 0 || m >= nlocal) {
+            proclist[nsend] = dihedral_atom3[i][j] % nprocs;
+            inbuf[nsend].atomID = dihedral_atom3[i][j];
+            inbuf[nsend].partnerID = dihedral_atom1[i][j];
+            nsend++;
+          }
+
+          m = atom->map(dihedral_atom4[i][j]);
+          if (m < 0 || m >= nlocal) {
+            proclist[nsend] = dihedral_atom4[i][j] % nprocs;
+            inbuf[nsend].atomID = dihedral_atom4[i][j];
+            inbuf[nsend].partnerID = dihedral_atom2[i][j];
+            nsend++;
+          }
+        }
+      }
     }
-    int *buf;
-    memory->create(buf,nbuf,"special:buf");
 
-    // fill buffer with list of 1,3 atoms in each angle
-    // and with list of 1,3 and 2,4 atoms in each dihedral
+    // perform rendezvous operation
+
+    char *buf;
+    int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
+                                   0,proclist,
+                                   rendezvous_pairs,0,buf,sizeof(PairRvous),
+                                   (void *) this);
+    PairRvous *outbuf = (PairRvous *) buf;
+
+    memory->destroy(proclist);
+    memory->sfree(inbuf);
+
+    // flag all onethree atoms to keep
+
+    int max = 0;
+    for (i = 0; i < nlocal; i++)
+      max = MAX(max,nspecial[i][1]);
+    MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+
+    int **flag;
+    memory->create(flag,nlocal,maxall,"special:flag");
+
+    for (i = 0; i < nlocal; i++)
+      for (j = 0; j < nspecial[i][1]; j++)
+        flag[i][j] = 0;
+
+    // reset nspecial[1] and onethree for all owned atoms based on output info
+    // based on owned info plus rendezvous output info
+    // output datums = pairs of atoms that are 1-3 neighbors
 
-    int size = 0;
-    if (num_angle && atom->nangles)
-      for (i = 0; i < nlocal; i++)
+    for (i = 0; i < nlocal; i++) {
+      if (num_angle) {
         for (j = 0; j < num_angle[i]; j++) {
-          buf[size++] = angle_atom1[i][j];
-          buf[size++] = angle_atom3[i][j];
+          if (tag[i] != angle_atom2[i][j]) continue;
+
+          m = atom->map(angle_atom1[i][j]);
+          if (m >= 0 && m < nlocal) {
+            for (k = 0; k < nspecial[m][1]; k++)
+              if (onethree[m][k] == angle_atom3[i][j]) {
+                flag[m][k] = 1;
+                break;
+              }
+          }
+
+          m = atom->map(angle_atom3[i][j]);
+          if (m >= 0 && m < nlocal) {
+            for (k = 0; k < nspecial[m][1]; k++)
+              if (onethree[m][k] == angle_atom1[i][j]) {
+                flag[m][k] = 1;
+                break;
+              }
+          }
         }
+      }
 
-    if (num_dihedral && atom->ndihedrals)
-      for (i = 0; i < nlocal; i++)
+      if (num_dihedral) {
         for (j = 0; j < num_dihedral[i]; j++) {
-          buf[size++] = dihedral_atom1[i][j];
-          buf[size++] = dihedral_atom3[i][j];
-          buf[size++] = dihedral_atom2[i][j];
-          buf[size++] = dihedral_atom4[i][j];
+          if (tag[i] != dihedral_atom2[i][j]) continue;
+
+          m = atom->map(dihedral_atom1[i][j]);
+          if (m >= 0 && m < nlocal) {
+            for (k = 0; k < nspecial[m][1]; k++)
+              if (onethree[m][k] == dihedral_atom3[i][j]) {
+                flag[m][k] = 1;
+                break;
+              }
+          }
+
+          m = atom->map(dihedral_atom3[i][j]);
+          if (m >= 0 && m < nlocal) {
+            for (k = 0; k < nspecial[m][1]; k++)
+              if (onethree[m][k] == dihedral_atom1[i][j]) {
+                flag[m][k] = 1;
+                break;
+              }
+          }
+
+          m = atom->map(dihedral_atom4[i][j]);
+          if (m >= 0 && m < nlocal) {
+            for (k = 0; k < nspecial[m][1]; k++)
+              if (onethree[m][k] == dihedral_atom2[i][j]) {
+                flag[m][k] = 1;
+                break;
+              }
+          }
         }
+      }
+    }
 
-    // cycle buffer around ring of procs back to self
-    // when receive buffer, scan list of 1,3 atoms looking for atoms I own
-    // when find one, scan its 1-3 neigh list and mark I,J as in an angle
+    for (m = 0; m < nreturn; m++) {
+      i = atom->map(outbuf[m].atomID);
+      for (k = 0; k < nspecial[i][1]; k++)
+        if (onethree[i][k] == outbuf[m].partnerID) {
+          flag[i][k] = 1;
+          break;
+        }
+    }
 
-    comm->ring(size,sizeof(tagint),buf,7,ring_seven,NULL,(void *)this);
+    memory->destroy(outbuf);
 
-    // delete 1-3 neighbors if they are not flagged in dflag
+    // use flag values to compress onefour list for each atom
 
     for (i = 0; i < nlocal; i++) {
-      m = 0;
-      for (j = 0; j < nspecial[i][1]; j++)
-        if (dflag[i][j]) onethree[i][m++] = onethree[i][j];
-      nspecial[i][1] = m;
+      j = 0;
+      while (j < nspecial[i][1]) {
+        if (flag[i][j] == 0) {
+          onethree[i][j] = onethree[i][nspecial[i][1]-1];
+          flag[i][j] = flag[i][nspecial[i][1]-1];
+          nspecial[i][1]--;
+        } else j++;
+      }
     }
 
-    // clean up
-
-    memory->destroy(dflag);
-    memory->destroy(buf);
+    memory->destroy(flag);
 
-  // if no angles or dihedrals are defined, delete all 1-3 neighs
+    // if no angles or dihedrals are defined, delete all 1-3 neighs
 
   } else {
     for (i = 0; i < nlocal; i++) nspecial[i][1] = 0;
@@ -783,18 +1048,21 @@ void Special::angle_trim()
 }
 
 /* ----------------------------------------------------------------------
-   trim list of 1-4 neighbors by checking defined dihedrals
+   trim list of 1-4 neighbors by checking all defined dihedrals
    delete a 1-4 neigh if they are not end atoms of a defined dihedral
+   uses rendezvous comm
 ------------------------------------------------------------------------- */
 
 void Special::dihedral_trim()
 {
-  int i,j,m,n;
+  int i,j,k,m;
 
   int *num_dihedral = atom->num_dihedral;
   tagint **dihedral_atom1 = atom->dihedral_atom1;
+  tagint **dihedral_atom2 = atom->dihedral_atom2;
   tagint **dihedral_atom4 = atom->dihedral_atom4;
   int **nspecial = atom->nspecial;
+  tagint *tag = atom->tag;
   int nlocal = atom->nlocal;
 
   // stats on old 1-4 neighbor counts
@@ -813,57 +1081,133 @@ void Special::dihedral_trim()
               "  %g = # of 1-4 neighbors before dihedral trim\n",allcount);
   }
 
-  // if dihedrals are defined, flag each 1-4 neigh if it appears in a dihedral
+  // if dihedrals are defined, rendezvous the dihedral 1-4 pairs
 
   if (num_dihedral && atom->ndihedrals) {
 
-    // dflag = flag for 1-4 neighs of all owned atoms
+    // nsend = # of my datums to send
 
-    int maxcount = 0;
-    for (i = 0; i < nlocal; i++) maxcount = MAX(maxcount,nspecial[i][2]);
-    memory->create(dflag,nlocal,maxcount,"special::dflag");
+    int nsend = 0;
+    for (i = 0; i < nlocal; i++) {
+      for (j = 0; j < num_dihedral[i]; j++) {
+        if (tag[i] != dihedral_atom2[i][j]) continue;
+        m = atom->map(dihedral_atom1[i][j]);
+        if (m < 0 || m >= nlocal) nsend++;
+        m = atom->map(dihedral_atom4[i][j]);
+        if (m < 0 || m >= nlocal) nsend++;
+      }
+    }
+
+    int *proclist;
+    memory->create(proclist,nsend,"special:proclist");
+    PairRvous *inbuf = (PairRvous *)
+      memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
 
+    // setup input buf to rendezvous comm
+    // datums = pairs of onefour atom IDs in a dihedral defined for my atoms
+    //          only dihedrals where I own atom2 (in case newton_bond off)
+    //          datum = atom1 ID and atom4 ID
+    //          send the datum twice, to owner of atom1 ID and atom4 ID
+    // owning procs for each datum = atom1 or atom4 ID % nprocs
+
+    nsend = 0;
     for (i = 0; i < nlocal; i++) {
-      n = nspecial[i][2];
-      for (j = 0; j < n; j++) dflag[i][j] = 0;
+      for (j = 0; j < num_dihedral[i]; j++) {
+        if (tag[i] != dihedral_atom2[i][j]) continue;
+
+        m = atom->map(dihedral_atom1[i][j]);
+        if (m < 0 || m >= nlocal) {
+          proclist[nsend] = dihedral_atom1[i][j] % nprocs;
+          inbuf[nsend].atomID = dihedral_atom1[i][j];
+          inbuf[nsend].partnerID = dihedral_atom4[i][j];
+          nsend++;
+        }
+
+        m = atom->map(dihedral_atom4[i][j]);
+        if (m < 0 || m >= nlocal) {
+          proclist[nsend] = dihedral_atom4[i][j] % nprocs;
+          inbuf[nsend].atomID = dihedral_atom4[i][j];
+          inbuf[nsend].partnerID = dihedral_atom1[i][j];
+          nsend++;
+        }
+      }
     }
 
-    // nbufmax = largest buffer needed to hold info from any proc
-    // info for each atom = list of 1,4 atoms in each dihedral stored by atom
+    // perform rendezvous operation
+
+    char *buf;
+    int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
+                                   0,proclist,
+                                   rendezvous_pairs,0,buf,sizeof(PairRvous),
+                                   (void *) this);
+    PairRvous *outbuf = (PairRvous *) buf;
 
-    int nbuf = 0;
-    for (i = 0; i < nlocal; i++) nbuf += 2*num_dihedral[i];
-    int *buf;
-    memory->create(buf,nbuf,"special:buf");
+    memory->destroy(proclist);
+    memory->sfree(inbuf);
 
-    // fill buffer with list of 1,4 atoms in each dihedral
+    // flag all of my onefour IDs to keep
 
-    int size = 0;
+    int max = 0;
     for (i = 0; i < nlocal; i++)
+      max = MAX(max,nspecial[i][2]);
+    MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
+
+    int **flag;
+    memory->create(flag,nlocal,maxall,"special:flag");
+
+    for (i = 0; i < nlocal; i++)
+      for (j = 0; j < nspecial[i][2]; j++)
+        flag[i][j] = 0;
+
+    for (i = 0; i < nlocal; i++) {
       for (j = 0; j < num_dihedral[i]; j++) {
-        buf[size++] = dihedral_atom1[i][j];
-        buf[size++] = dihedral_atom4[i][j];
+        if (tag[i] != dihedral_atom2[i][j]) continue;
+
+        m = atom->map(dihedral_atom1[i][j]);
+        if (m >= 0 && m < nlocal) {
+          for (k = 0; k < nspecial[m][2]; k++)
+            if (onefour[m][k] == dihedral_atom4[i][j]) {
+              flag[m][k] = 1;
+              break;
+            }
+        }
+
+        m = atom->map(dihedral_atom4[i][j]);
+        if (m >= 0 && m < nlocal) {
+          for (k = 0; k < nspecial[m][2]; k++)
+            if (onefour[m][k] == dihedral_atom1[i][j]) {
+              flag[m][k] = 1;
+              break;
+            }
+        }
       }
+    }
 
-    // cycle buffer around ring of procs back to self
-    // when receive buffer, scan list of 1,4 atoms looking for atoms I own
-    // when find one, scan its 1-4 neigh list and mark I,J as in a dihedral
+    for (m = 0; m < nreturn; m++) {
+      i = atom->map(outbuf[m].atomID);
+      for (k = 0; k < nspecial[i][2]; k++)
+        if (onefour[i][k] == outbuf[m].partnerID) {
+          flag[i][k] = 1;
+          break;
+        }
+    }
 
-    comm->ring(size,sizeof(tagint),buf,8,ring_eight,NULL,(void *)this);
+    memory->destroy(outbuf);
 
-    // delete 1-4 neighbors if they are not flagged in dflag
+    // use flag values to compress onefour list for each atom
 
     for (i = 0; i < nlocal; i++) {
-      m = 0;
-      for (j = 0; j < nspecial[i][2]; j++)
-        if (dflag[i][j]) onefour[i][m++] = onefour[i][j];
-      nspecial[i][2] = m;
+      j = 0;
+      while (j < nspecial[i][2]) {
+        if (flag[i][j] == 0) {
+          onefour[i][j] = onefour[i][nspecial[i][2]-1];
+          flag[i][j] = flag[i][nspecial[i][2]-1];
+          nspecial[i][2]--;
+        } else j++;
+      }
     }
 
-    // clean up
-
-    memory->destroy(dflag);
-    memory->destroy(buf);
+    memory->destroy(flag);
 
   // if no dihedrals are defined, delete all 1-4 neighs
 
@@ -888,262 +1232,95 @@ void Special::dihedral_trim()
 }
 
 /* ----------------------------------------------------------------------
-   when receive buffer, scan tags for atoms I own
-   when find one, increment nspecial count for that atom
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N IDRvous datums
+   no outbuf
 ------------------------------------------------------------------------- */
 
-void Special::ring_one(int ndatum, char *cbuf, void *ptr)
+int Special::rendezvous_ids(int n, char *inbuf,
+                            int &flag, int *& /*proclist*/, char *& /*outbuf*/,
+                            void *ptr)
 {
   Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
-
-  tagint *buf = (tagint *) cbuf;
-  int m;
+  Memory *memory = sptr->memory;
 
-  for (int i = 0; i < ndatum; i++) {
-    m = atom->map(buf[i]);
-    if (m >= 0 && m < nlocal) nspecial[m][0]++;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   when receive buffer, scan 2nd-atom tags for atoms I own
-   when find one, add 1st-atom tag to onetwo list for 2nd atom
-------------------------------------------------------------------------- */
-
-void Special::ring_two(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int nlocal = atom->nlocal;
+  int *procowner;
+  tagint *atomIDs;
 
-  tagint **onetwo = sptr->onetwo;
-  int *count = sptr->count;
+  memory->create(procowner,n,"special:procowner");
+  memory->create(atomIDs,n,"special:atomIDs");
 
-  tagint *buf = (tagint *) cbuf;
-  int m;
+  IDRvous *in = (IDRvous *) inbuf;
 
-  for (int i = 1; i < ndatum; i += 2) {
-    m = atom->map(buf[i]);
-    if (m >= 0 && m < nlocal) onetwo[m][count[m]++] = buf[i-1];
+  for (int i = 0; i < n; i++) {
+    procowner[i] = in[i].me;
+    atomIDs[i] = in[i].atomID;
   }
-}
 
-/* ----------------------------------------------------------------------
-   when receive buffer, scan list of 1-2 neighbors for atoms I own
-   when find one, increment 1-3 count by # of 1-2 neighbors of my atom,
-     subtracting one since my list will contain original atom
-------------------------------------------------------------------------- */
+  // store rendezvous data in Special class
 
-void Special::ring_three(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  sptr->nrvous = n;
+  sptr->procowner = procowner;
+  sptr->atomIDs = atomIDs;
 
-  tagint *buf = (tagint *) cbuf;
-  int i,j,m,n,num12;
-
-  i = 0;
-  while (i < ndatum) {
-    n = buf[i];
-    num12 = buf[i+1];
-    for (j = 0; j < num12; j++) {
-      m = atom->map(buf[i+2+j]);
-      if (m >= 0 && m < nlocal)
-        n += nspecial[m][0] - 1;
-    }
-    buf[i] = n;
-    i += 2 + num12;
-  }
+  // flag = 0: no second comm needed in rendezvous
+
+  flag = 0;
+  return 0;
 }
 
+
 /* ----------------------------------------------------------------------
-  when receive buffer, scan list of 1-2 neighbors for atoms I own
-  when find one, add its neighbors to 1-3 list
-    increment the count in buf(i+4)
-    exclude the atom whose tag = original
-    this process may include duplicates but they will be culled later
+   process data for atoms assigned to me in rendezvous decomposition
+   inbuf = list of N PairRvous datums
+   outbuf = same list of N PairRvous datums, routed to different procs
 ------------------------------------------------------------------------- */
 
-void Special::ring_four(int ndatum, char *cbuf, void *ptr)
+int Special::rendezvous_pairs(int n, char *inbuf,
+                             int &flag, int *&proclist, char *&outbuf,
+                             void *ptr)
 {
   Special *sptr = (Special *) ptr;
   Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  Memory *memory = sptr->memory;
 
-  tagint **onetwo = sptr->onetwo;
-
-  tagint *buf = (tagint *) cbuf;
-  tagint original;
-  int i,j,k,m,n,num12,num13;
-
-  i = 0;
-  while (i < ndatum) {
-    original = buf[i];
-    num12 = buf[i+1];
-    num13 = buf[i+2];
-    n = buf[i+3];
-    for (j = 0; j < num12; j++) {
-      m = atom->map(buf[i+4+j]);
-      if (m >= 0 && m < nlocal)
-        for (k = 0; k < nspecial[m][0]; k++)
-          if (onetwo[m][k] != original)
-            buf[i+4+num12+(n++)] = onetwo[m][k];
-    }
-    buf[i+3] = n;
-    i += 4 + num12 + num13;
-  }
-}
+  // clear atom map so it can be used here as a hash table
+  // faster than an STL map for large atom counts
 
-/* ----------------------------------------------------------------------
-   when receive buffer, scan list of 1-3 neighbors for atoms I own
-   when find one, increment 1-4 count by # of 1-2 neighbors of my atom
-     may include duplicates and original atom but they will be culled later
-------------------------------------------------------------------------- */
+  atom->map_clear();
 
-void Special::ring_five(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  // hash atom IDs stored in rendezvous decomposition
 
-  tagint *buf = (tagint *) cbuf;
-  int i,j,m,n,num13;
+  int nrvous = sptr->nrvous;
+  tagint *atomIDs = sptr->atomIDs;
 
-  i = 0;
-  while (i < ndatum) {
-    n = buf[i];
-    num13 = buf[i+1];
-    for (j = 0; j < num13; j++) {
-      m = atom->map(buf[i+2+j]);
-      if (m >= 0 && m < nlocal) n += nspecial[m][0];
-    }
-      buf[i] = n;
-      i += 2 + num13;
-  }
-}
+  for (int i = 0; i < nrvous; i++)
+    atom->map_one(atomIDs[i],i);
 
-/* ----------------------------------------------------------------------
-   when receive buffer, scan list of 1-3 neighbors for atoms I own
-   when find one, add its neighbors to 1-4 list
-     incrementing the count in buf(i+4)
-     this process may include duplicates but they will be culled later
-------------------------------------------------------------------------- */
+  // proclist = owner of atomID in caller decomposition
 
-void Special::ring_six(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  PairRvous *in = (PairRvous *) inbuf;
+  int *procowner = sptr->procowner;
+  memory->create(proclist,n,"special:proclist");
 
-  tagint **onetwo = sptr->onetwo;
-
-  tagint *buf = (tagint *) cbuf;
-  int i,j,k,m,n,num13,num14;
-
-  i = 0;
-  while (i < ndatum) {
-    num13 = buf[i];
-    num14 = buf[i+1];
-    n = buf[i+2];
-    for (j = 0; j < num13; j++) {
-      m = atom->map(buf[i+3+j]);
-      if (m >= 0 && m < nlocal)
-        for (k = 0; k < nspecial[m][0]; k++)
-          buf[i+3+num13+(n++)] = onetwo[m][k];
-    }
-    buf[i+2] = n;
-    i += 3 + num13 + num14;
+  int m;
+  for (int i = 0; i < n; i++) {
+    m = atom->map(in[i].atomID);
+    proclist[i] = procowner[m];
   }
-}
-
-/* ----------------------------------------------------------------------
-   when receive buffer, scan list of 1,3 atoms looking for atoms I own
-   when find one, scan its 1-3 neigh list and mark I,J as in an angle
-------------------------------------------------------------------------- */
 
-void Special::ring_seven(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  outbuf = inbuf;
 
-  tagint **onethree = sptr->onethree;
-  int **dflag = sptr->dflag;
-
-  tagint *buf = (tagint *) cbuf;
-  tagint iglobal,jglobal;
-  int i,m,ilocal,jlocal;
-
-  i = 0;
-  while (i < ndatum) {
-    iglobal = buf[i];
-    jglobal = buf[i+1];
-    ilocal = atom->map(iglobal);
-    jlocal = atom->map(jglobal);
-    if (ilocal >= 0 && ilocal < nlocal)
-      for (m = 0; m < nspecial[ilocal][1]; m++)
-        if (jglobal == onethree[ilocal][m]) {
-          dflag[ilocal][m] = 1;
-          break;
-        }
-    if (jlocal >= 0 && jlocal < nlocal)
-      for (m = 0; m < nspecial[jlocal][1]; m++)
-        if (iglobal == onethree[jlocal][m]) {
-          dflag[jlocal][m] = 1;
-          break;
-        }
-    i += 2;
-  }
-}
+  // re-create atom map
 
-/* ----------------------------------------------------------------------
-   when receive buffer, scan list of 1,4 atoms looking for atoms I own
-   when find one, scan its 1-4 neigh list and mark I,J as in a dihedral
-------------------------------------------------------------------------- */
+  atom->map_init(0);
+  atom->nghost = 0;
+  atom->map_set();
 
-void Special::ring_eight(int ndatum, char *cbuf, void *ptr)
-{
-  Special *sptr = (Special *) ptr;
-  Atom *atom = sptr->atom;
-  int **nspecial = atom->nspecial;
-  int nlocal = atom->nlocal;
+  // flag = 1: outbuf = inbuf
 
-  tagint **onefour = sptr->onefour;
-  int **dflag = sptr->dflag;
-
-  tagint *buf = (tagint *) cbuf;
-  tagint iglobal,jglobal;
-  int i,m,ilocal,jlocal;
-
-  i = 0;
-  while (i < ndatum) {
-    iglobal = buf[i];
-    jglobal = buf[i+1];
-    ilocal = atom->map(iglobal);
-    jlocal = atom->map(jglobal);
-    if (ilocal >= 0 && ilocal < nlocal)
-      for (m = 0; m < nspecial[ilocal][2]; m++)
-        if (jglobal == onefour[ilocal][m]) {
-          dflag[ilocal][m] = 1;
-          break;
-        }
-    if (jlocal >= 0 && jlocal < nlocal)
-      for (m = 0; m < nspecial[jlocal][2]; m++)
-        if (iglobal == onefour[jlocal][m]) {
-          dflag[jlocal][m] = 1;
-          break;
-        }
-    i += 2;
-  }
+  flag = 1;
+  return n;
 }
 
 /* ----------------------------------------------------------------------
@@ -1159,3 +1336,15 @@ void Special::fix_alteration()
       modify->fix[ifix]->rebuild_special();
 }
 
+/* ----------------------------------------------------------------------
+   print timing output
+------------------------------------------------------------------------- */
+
+void Special::timer_output(double time1)
+{
+  double time2 = MPI_Wtime();
+  if (comm->me == 0) {
+    if (screen) fprintf(screen,"  special bonds CPU = %g secs\n",time2-time1);
+    if (logfile) fprintf(logfile,"  special bonds CPU = %g secs\n",time2-time1);
+  }
+}
diff --git a/src/special.h b/src/special.h
index 9f25200336c597276c9c9ed5d2427be12debd3ef..10d26095360d3f7177c9974502031403ac1ad329 100644
--- a/src/special.h
+++ b/src/special.h
@@ -26,29 +26,43 @@ class Special : protected Pointers {
 
  private:
   int me,nprocs;
+  int maxall;
   tagint **onetwo,**onethree,**onefour;
 
-  // data used by ring callback methods
+  // data used by rendezvous callback methods
 
-  int *count;
-  int **dflag;
+  int nrvous;
+  tagint *atomIDs;
+  int *procowner;
+
+  struct IDRvous {
+    int me;
+    tagint atomID;
+  };
+
+  struct PairRvous {
+    tagint atomID,partnerID;
+  };
+
+  // private methods
+
+  void atom_owners();
+  void onetwo_build_newton();
+  void onetwo_build_newton_off();
+  void onethree_build();
+  void onefour_build();
 
   void dedup();
   void angle_trim();
   void dihedral_trim();
   void combine();
   void fix_alteration();
+  void timer_output(double);
 
-  // callback functions for ring communication
+  // callback functions for rendezvous communication
 
-  static void ring_one(int, char *, void *);
-  static void ring_two(int, char *, void *);
-  static void ring_three(int, char *, void *);
-  static void ring_four(int, char *, void *);
-  static void ring_five(int, char *, void *);
-  static void ring_six(int, char *, void *);
-  static void ring_seven(int, char *, void *);
-  static void ring_eight(int, char *, void *);
+  static int rendezvous_ids(int, char *, int &, int *&, char *&, void *);
+  static int rendezvous_pairs(int, char *, int &, int *&, char *&, void *);
 };
 
 }
diff --git a/src/thermo.cpp b/src/thermo.cpp
index ddbbd0f496eab5c87b59f028a5b4adaac8f1b764..f4ab7b0779bd69fd135b2d1ecb286986ac720d86 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -113,9 +113,11 @@ Thermo::Thermo(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   if (strcmp(style,"one") == 0) {
     line = new char[256+6*64];
+    memset(line,0,256+6*64);
     strcpy(line,ONE);
   } else if (strcmp(style,"multi") == 0) {
     line = new char[256+12*64];
+    memset(line,0,256+12*64);
     strcpy(line,MULTI);
     lineflag = MULTILINE;
 
@@ -380,9 +382,8 @@ void Thermo::compute(int flag)
       loc += sprintf(&line[loc],format[ifield],dvalue);
     else if (vtype[ifield] == INT)
       loc += sprintf(&line[loc],format[ifield],ivalue);
-    else if (vtype[ifield] == BIGINT) {
+    else if (vtype[ifield] == BIGINT)
       loc += sprintf(&line[loc],format[ifield],bivalue);
-    }
   }
 
   // print line to screen and logfile
diff --git a/src/update.cpp b/src/update.cpp
index 6f9c2c9a076ff8b911431bf623efd4a47301f6fe..f5e706e3543e0493ebd5189821483379780e4c72 100644
--- a/src/update.cpp
+++ b/src/update.cpp
@@ -316,8 +316,8 @@ void Update::create_integrate(int narg, char **arg, int trysuffix)
 
   if (sflag) {
     char estyle[256];
-    if (sflag == 1) sprintf(estyle,"%s/%s",arg[0],lmp->suffix);
-    else sprintf(estyle,"%s/%s",arg[0],lmp->suffix2);
+    if (sflag == 1) snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix);
+    else snprintf(estyle,256,"%s/%s",arg[0],lmp->suffix2);
     int n = strlen(estyle) + 1;
     integrate_style = new char[n];
     strcpy(integrate_style,estyle);
@@ -339,7 +339,7 @@ void Update::new_integrate(char *style, int narg, char **arg,
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix);
       if (integrate_map->find(estyle) != integrate_map->end()) {
         IntegrateCreator integrate_creator = (*integrate_map)[estyle];
         integrate = integrate_creator(lmp, narg, arg);
@@ -350,7 +350,7 @@ void Update::new_integrate(char *style, int narg, char **arg,
     if (lmp->suffix2) {
       sflag = 2;
       char estyle[256];
-      sprintf(estyle,"%s/%s",style,lmp->suffix2);
+      snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
       if (integrate_map->find(estyle) != integrate_map->end()) {
         IntegrateCreator integrate_creator = (*integrate_map)[estyle];
         integrate = integrate_creator(lmp, narg, arg);
diff --git a/src/utils.cpp b/src/utils.cpp
index c3c173a73f3a0e75f8b270a17e68993be15e01fc..8468b22d8cf9a7da6befea84aa9a41f8b928a2a5 100644
--- a/src/utils.cpp
+++ b/src/utils.cpp
@@ -11,8 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include <mpi.h>
 #include <cstring>
 #include "utils.h"
+#include "lammps.h"
 #include "error.h"
 
 /*! \file utils.cpp */
@@ -123,6 +125,24 @@ void utils::sfgets(const char *srcname, int srcline, char *s, int size,
 
 /* ------------------------------------------------------------------ */
 
+std::string utils::check_packages_for_style(std::string style,
+                                            std::string name, LAMMPS *lmp)
+{
+  std::string errmsg = "Unrecognized " + style + " style '" + name + "'";
+  const char *pkg = lmp->match_style(style.c_str(),name.c_str());
+
+  if (pkg) {
+    errmsg += " is part of the " + std::string(pkg) + " package";
+    if (lmp->is_installed_pkg(pkg))
+      errmsg += ", but seems to be missing because of a dependency";
+    else
+      errmsg += " which is not enabled in this LAMMPS binary.";
+  }
+  return errmsg;
+}
+
+/* ------------------------------------------------------------------ */
+
 extern "C" {
   /* Typedef'd pointer to get abstract datatype. */
   typedef struct regex_t *re_t;
diff --git a/src/utils.h b/src/utils.h
index 2596fcd774a4a76319fa2cde0b29f28b3e677a34..7dfba8ead0bf73adbf69e43a7ed13a8164ff20e4 100644
--- a/src/utils.h
+++ b/src/utils.h
@@ -23,6 +23,7 @@ namespace LAMMPS_NS {
 
   // forward declarations
   class Error;
+  class LAMMPS;
 
   namespace utils {
 
@@ -66,6 +67,15 @@ namespace LAMMPS_NS {
      */
     void sfgets(const char *srcname, int srcline, char *s, int size,
                 FILE *fp, const char *filename, Error *error);
+
+    /** \brief Report if a requested style is in a package or may have a typo
+     *
+     *  \param style type of style that is to be checked for
+     *  \param name  name of style that was not found
+     *  \param lmp   pointer to top-level LAMMPS class instance
+     *  \return string usable for error messages
+     */
+    std::string check_packages_for_style(std::string style, std::string name, LAMMPS *lmp);
   }
 }
 
diff --git a/src/variable.cpp b/src/variable.cpp
index 56924c507b87cb1cc9fc45bb17afff181ff87687..ea7f3044d73fcac741b5e5c2999181be3716dd08 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -38,6 +38,7 @@
 #include "memory.h"
 #include "info.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -63,8 +64,8 @@ enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
      NOT,EQ,NE,LT,LE,GT,GE,AND,OR,XOR,
      SQRT,EXP,LN,LOG,ABS,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
      RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,LOGFREQ2,
-     STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,GRMASK,
-     IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,
+     LOGFREQ3,STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,
+     GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,
      VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY,VECTORARRAY};
 
 // customize by adding a special function
@@ -287,11 +288,11 @@ void Variable::set(int narg, char **arg)
 
     int maxcopy = strlen(arg[2]) + 1;
     int maxwork = maxcopy;
-    char *scopy = new char[maxcopy];
-    char *work = new char[maxwork];
+    char *scopy = (char *) memory->smalloc(maxcopy,"var:string/copy");
+    char *work = (char *) memory->smalloc(maxwork,"var:string/work");
     strcpy(scopy,arg[2]);
     input->substitute(scopy,work,maxcopy,maxwork,1);
-    delete [] work;
+    memory->sfree(work);
 
     int ivar = find(arg[0]);
     if (ivar >= 0) {
@@ -309,7 +310,7 @@ void Variable::set(int narg, char **arg)
       data[nvar] = new char*[num[nvar]];
       copy(1,&scopy,data[nvar]);
     }
-    delete [] scopy;
+    memory->sfree(scopy);
 
   // GETENV
   // remove pre-existing var if also style GETENV (allows it to be reset)
@@ -383,6 +384,8 @@ void Variable::set(int narg, char **arg)
     num[nvar] = 3;
     which[nvar] = 0;
     pad[nvar] = 0;
+    if (!utils::strmatch(arg[3],"%[0-9 ]*\\.[0-9]+[efgEFG]"))
+      error->all(FLERR,"Incorrect conversion in format string");
     data[nvar] = new char*[num[nvar]];
     copy(2,&arg[2],data[nvar]);
     data[nvar][2] = new char[VALUELENGTH];
@@ -1101,6 +1104,7 @@ void Variable::remove(int n)
     pad[i-1] = pad[i];
     reader[i-1] = reader[i];
     data[i-1] = data[i];
+    dvalue[i-1] = dvalue[i];
   }
   nvar--;
 }
@@ -1577,6 +1581,8 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
           newtree->nextra = 0;
           treestack[ntreestack++] = newtree;
 
+        } else if (nbracket == 1 && compute->local_flag) {
+          print_var_error(FLERR,"Cannot access local data via indexing",ivar);
         } else print_var_error(FLERR,
                                "Mismatched compute in variable formula",ivar);
 
@@ -2178,7 +2184,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
         if (tree) {
           Tree *newtree = new Tree();
           newtree->type = opprevious;
-          if (opprevious == UNARY) {
+          if ((opprevious == UNARY) || (opprevious == NOT)) {
             newtree->first = treestack[--ntreestack];
             newtree->second = NULL;
             newtree->nextra = 0;
@@ -2291,8 +2297,8 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
      sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
      atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
      ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
-     stride(x,y,z),vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z),
-     gmask(x),rmask(x),grmask(x,y)
+     logfreq3(x,y,z),stride(x,y,z),vdisplace(x,y),swiggle(x,y,z),
+     cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
 ---------------------------------------------------------------------- */
 
 double Variable::collapse_tree(Tree *tree)
@@ -2699,6 +2705,35 @@ double Variable::collapse_tree(Tree *tree)
     return tree->value;
   }
 
+  if (tree->type == LOGFREQ3) {
+    int ivalue1 = static_cast<int> (collapse_tree(tree->first));
+    int ivalue2 = static_cast<int> (collapse_tree(tree->second));
+    int ivalue3 = static_cast<int> (collapse_tree(tree->extra[0]));
+    if (tree->first->type != VALUE || tree->second->type != VALUE ||
+        tree->extra[0]->type != VALUE) return 0.0;
+    tree->type = VALUE;
+    if (ivalue1 <= 0 || ivalue2 <= 1 || ivalue3 <= 0 ||
+        ivalue3-ivalue1+1 < ivalue2 )
+      error->all(FLERR,"Invalid math function in variable formula");
+    if (update->ntimestep < ivalue1) tree->value = ivalue1;
+    //else if (update->ntimestep <= ivalue3){
+    else {
+      tree->value = ivalue1;
+      double logsp = ivalue1;
+      double factor = pow(((double)ivalue3)/ivalue1, 1.0/(ivalue2-1));
+      int linsp = ivalue1;
+      while (update->ntimestep >= (tree->value)) {
+        logsp *= factor;
+        linsp++;
+        if (linsp > logsp) tree->value = linsp;
+        else tree->value = ceil(logsp)-(((int)ceil(logsp)-1)/ivalue3);
+      }
+    }
+    if (update->ntimestep > ivalue3)
+      error->all(FLERR,"Calls to variable exceeded limit");
+    return tree->value;
+  }
+
   if (tree->type == STRIDE) {
     int ivalue1 = static_cast<int> (collapse_tree(tree->first));
     int ivalue2 = static_cast<int> (collapse_tree(tree->second));
@@ -2814,8 +2849,8 @@ double Variable::collapse_tree(Tree *tree)
      sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
      atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
      ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
-     stride(x,y,z),stride2(x,y,z),vdisplace(x,y),swiggle(x,y,z),
-     cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
+     logfreq3(x,y,z),stride(x,y,z),stride2(x,y,z),vdisplace(x,y),
+     swiggle(x,y,z),cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
 ---------------------------------------------------------------------- */
 
 double Variable::eval_tree(Tree *tree, int i)
@@ -3294,8 +3329,8 @@ tagint Variable::int_between_brackets(char *&ptr, int varallow)
      sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
      atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
      ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
-     stride(x,y,z),stride2(x,y,z,a,b,c),vdisplace(x,y),swiggle(x,y,z),
-     cwiggle(x,y,z)
+     logfreq3(x,y,z),stride(x,y,z),stride2(x,y,z,a,b,c),vdisplace(x,y),
+     swiggle(x,y,z),cwiggle(x,y,z)
 ------------------------------------------------------------------------- */
 
 int Variable::math_function(char *word, char *contents, Tree **tree,
@@ -3315,9 +3350,9 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
       strcmp(word,"floor") && strcmp(word,"round") &&
       strcmp(word,"ramp") && strcmp(word,"stagger") &&
       strcmp(word,"logfreq") && strcmp(word,"logfreq2") &&
-      strcmp(word,"stride") && strcmp(word,"stride2") &&
-      strcmp(word,"vdisplace") && strcmp(word,"swiggle") &&
-      strcmp(word,"cwiggle"))
+      strcmp(word,"logfreq3") && strcmp(word,"stride") &&
+      strcmp(word,"stride2") && strcmp(word,"vdisplace") &&
+      strcmp(word,"swiggle") && strcmp(word,"cwiggle"))
     return 0;
 
   // parse contents for comma-separated args
@@ -3577,6 +3612,37 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
       argstack[nargstack++] = ceil(value);
     }
 
+  } else if (strcmp(word,"logfreq3") == 0) {
+    if (narg != 3)
+      print_var_error(FLERR,"Invalid math function in variable formula",ivar);
+    if (tree) newtree->type = LOGFREQ3;
+    else {
+      int ivalue1 = static_cast<int> (value1);
+      int ivalue2 = static_cast<int> (value2);
+      int ivalue3 = static_cast<int> (values[0]);
+      if (ivalue1 <= 0 || ivalue2 <= 1 || ivalue3 <= 0 ||
+          ivalue3-ivalue1+1 < ivalue2 )
+        print_var_error(FLERR,"Invalid math function in variable formula",ivar);
+      double value;
+      if (update->ntimestep < ivalue1) value = ivalue1;
+      //else if (update->ntimestep <= ivalue3){
+      else {
+        value = ivalue1;
+        double logsp = ivalue1;
+        double factor = pow(((double)ivalue3)/ivalue1, 1.0/(ivalue2-1));
+        int linsp = ivalue1;
+        while (update->ntimestep >= value) {
+          logsp *= factor;
+          linsp++;
+          if (linsp > logsp) value = linsp;
+          else value = ceil(logsp)-(((int)ceil(logsp)-1)/ivalue3);
+        }
+      }
+      if (update->ntimestep > ivalue3)
+        error->all(FLERR,"Calls to variable exceeded limit");
+      argstack[nargstack++] = value;
+    }
+
   } else if (strcmp(word,"stride") == 0) {
     if (narg != 3)
       print_var_error(FLERR,"Invalid math function in variable formula",ivar);
diff --git a/src/variable.h b/src/variable.h
index a37ee4cff751b0eea638cfa1c446118cd4c164b1..512195bd142cadb6486e94b0195f0f12382760e7 100644
--- a/src/variable.h
+++ b/src/variable.h
@@ -210,6 +210,10 @@ E: Invalid variable style with next command
 Variable styles {equal} and {world} cannot be used in a next
 command.
 
+E: Incorrect conversion in format string
+
+A format style variable was not using either a %f, a %g, or a %e conversion.
+
 E: Next command must list all universe and uloop variables
 
 This is to insure they stay in sync.
diff --git a/src/velocity.cpp b/src/velocity.cpp
index 6d6027cc3c7aeb8e77e8c2c2896dd8e7bfcb7c90..95d820cc22829f51a7ed30f5a8bc685aeffb2b49 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -33,6 +33,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -111,7 +112,7 @@ void Velocity::command(int narg, char **arg)
 
   int initcomm = 0;
   if (style == ZERO && rfix >= 0 &&
-      strcmp(modify->fix[rfix]->style,"rigid/small") == 0) initcomm = 1;
+      utils::strmatch(modify->fix[rfix]->style,"^rigid/small")) initcomm = 1;
   if ((style == CREATE || style == SET) && temperature &&
       strcmp(temperature->style,"temp/cs") == 0) initcomm = 1;
 
@@ -709,19 +710,19 @@ void Velocity::zero(int /*narg*/, char **arg)
 {
   if (strcmp(arg[0],"linear") == 0) {
     if (rfix < 0) zero_momentum();
-    else if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
+    else if (utils::strmatch(modify->fix[rfix]->style,"^rigid/small")) {
       modify->fix[rfix]->setup_pre_neighbor();
       modify->fix[rfix]->zero_momentum();
-    } else if (strstr(modify->fix[rfix]->style,"rigid")) {
+    } else if (utils::strmatch(modify->fix[rfix]->style,"^rigid")) {
       modify->fix[rfix]->zero_momentum();
     } else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID");
 
   } else if (strcmp(arg[0],"angular") == 0) {
     if (rfix < 0) zero_rotation();
-    else if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
+    else if (utils::strmatch(modify->fix[rfix]->style,"^rigid/small")) {
       modify->fix[rfix]->setup_pre_neighbor();
       modify->fix[rfix]->zero_rotation();
-    } else if (strstr(modify->fix[rfix]->style,"rigid")) {
+    } else if (utils::strmatch(modify->fix[rfix]->style,"^rigid")) {
       modify->fix[rfix]->zero_rotation();
     } else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID");
 
diff --git a/src/version.h b/src/version.h
index f15fa13e02c11533b4cc82a2c5cc9a6687777689..c2f6fcaf923b8f2114b78bb10bb7c71663dd5379 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "8 Feb 2019"
+#define LAMMPS_VERSION "18 Jun 2019"
diff --git a/src/write_data.cpp b/src/write_data.cpp
index 7047aacfd426a2f71a5507134a42886c0f7397ef..decc92ea8c9593bb4031588d28169f0562ae2935 100644
--- a/src/write_data.cpp
+++ b/src/write_data.cpp
@@ -177,6 +177,17 @@ void WriteData::write(char *file)
     MPI_Allreduce(&nimpropers_local,&nimpropers,1,MPI_LMP_BIGINT,MPI_SUM,world);
   }
 
+  // check for bonus data.
+  if (me == 0) {
+    if ((atom->nellipsoids > 0)
+        || (atom->nlines > 0)
+        || (atom->ntris > 0)
+        || (atom->nbodies > 0))
+      error->warning(FLERR,"System has ellipsoids, lines, triangles, or bodies. "
+                     "Those are not yet supported by write_data. The data file "
+                     "will thus be incomplete.");
+  }
+
   // open data file
 
   if (me == 0) {
diff --git a/src/write_dump.cpp b/src/write_dump.cpp
index 6c7375012e8a15c569035acfd69f1f2c12aff706..072680a8a51d368e8caed42fc056d21e5c1a7998 100644
--- a/src/write_dump.cpp
+++ b/src/write_dump.cpp
@@ -26,6 +26,7 @@
 #include "input.h"
 #include "update.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -64,7 +65,7 @@ void WriteDump::command(int narg, char **arg)
 #include "style_dump.h"
 #undef DUMP_CLASS
 
-  else error->all(FLERR,"Unknown dump style");
+  else error->all(FLERR,utils::check_packages_for_style("dump",arg[1],lmp).c_str());
 
   if (modindex < narg) dump->modify_params(narg-modindex-1,&arg[modindex+1]);
 
diff --git a/src/write_dump.h b/src/write_dump.h
index 18fff6345bf0bbf1971676704f9e307c487ae208..db39a75d4b13eb114857dc4e73e73428c9ae8d47 100644
--- a/src/write_dump.h
+++ b/src/write_dump.h
@@ -43,7 +43,7 @@ Self-explanatory.  Check the input script syntax and compare to the
 documentation for the command.  You can use -echo screen as a
 command-line option when running LAMMPS to see the offending line.
 
-E: Unknown dump style
+E: Unrecognized dump style
 
 The choice of dump style is unknown.
 
diff --git a/tools/README b/tools/README
index 6bf7d6b87813dc261fcd5ae12d5e6e0cdd476cc2..54f8d86898a37afd5ab8a23ff5c13dd03dac883f 100644
--- a/tools/README
+++ b/tools/README
@@ -39,6 +39,7 @@ pymol_asphere	       convert LAMMPS output of ellipsoids to PyMol format
 python		       Python scripts for post-processing LAMMPS output
 reax	       	       Tools for analyzing output of ReaxFF simulations
 smd                    convert Smooth Mach Dynamics triangles to VTK
+spin                   perform a cubic polynomial interpolation of a GNEB MEP
 vim		       add-ons to VIM editor for editing LAMMPS input scripts
 xmgrace                a collection of scripts to generate xmgrace plots
 
diff --git a/tools/msi2lmp/README b/tools/msi2lmp/README
index 9ac7af560743a7f71853dd619ad012c778de0ef5..bd658d897ec1a75d42ddb13045b9b918ec6212a6 100644
--- a/tools/msi2lmp/README
+++ b/tools/msi2lmp/README
@@ -49,8 +49,12 @@ This program uses the .car and .mdf files from MSI/Biosyms's INSIGHT
 
  1. Building msi2lmp
 
-    Use the Makefile in the src directory. It is
-    currently set up for gcc. You will have to modify
+    If you are using CMake to compile LAMMPS, the building
+    (and installation) of msi2lmp is included in the normal
+    build process.
+
+    Otherwise you can use the Makefile in the src directory.
+    It is currently set up for gcc. You will have to modify
     it to use a different compiler.
 
  2. Testing the program
diff --git a/tools/spin/interpolate_gneb/README b/tools/spin/interpolate_gneb/README
new file mode 100644
index 0000000000000000000000000000000000000000..ab3037324992a2492bec3a5ec37678e30771dc2d
--- /dev/null
+++ b/tools/spin/interpolate_gneb/README
@@ -0,0 +1,31 @@
+Interpolate.x tries to perform a cubic polynomial interpolation
+of the MEP.  
+
+Compile the program with:
+gcc interpolate.c -o interpolate.x
+
+and then run it as:
+./interpolate.x
+
+Enter N-1 (with N the number of replica).
+The program reads the "neb_init.dat", in which you need to
+replace the current values by your GNEB outputs.
+
+Each line corresponds to a replica, and has to respectively
+contain:
+
+Reac. coords /tab/ pot. energy /tab/ fm dot tangent /tab/
+geodesic dist to next replica
+
+All those information can be provided by the verbose output of
+a neb/spin calculation
+
+The progam outputs the interpolation result, and the
+interpolated MEP in "interpolation_result.dat". 
+
+This code is a courtesy of Aleksei Ivanov, University of
+Iceland.
+For more explanation about this calculation, see Appendix D 
+of the following reference:
+Bessarab, P. F., Uzdin, V. M., & Jónsson, H. (2015). 
+Computer Physics Communications, 196, 335-347. 
diff --git a/tools/spin/interpolate_gneb/interpolate.c b/tools/spin/interpolate_gneb/interpolate.c
new file mode 100644
index 0000000000000000000000000000000000000000..32734ee22463b90a274613dc0b877f66f0d08cab
--- /dev/null
+++ b/tools/spin/interpolate_gneb/interpolate.c
@@ -0,0 +1,106 @@
+/* ------------------------------------------------------------------------
+ Provide some explanation here
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+   This program is a courtesy of Aleksei Ivanov (Univ. of Iceland)
+   Contributing authors: Aleksei Ivanov (Univ. of Iceland), 
+   			 Julien Tranchida (SNL)
+------------------------------------------------------------------------- */
+
+#include <stdio.h>
+#include <string.h>
+#include <stdlib.h>
+
+// calculate cubic coefficients
+
+void count_coefficient(double *V, double *F, double *R, double *a, double *b,
+    double *c,double *d,int M){
+  /* R = square of distance between images*/
+  /* V = energy of images */
+  /* F = projection of real real forces along the path? */
+  int i;
+  for(i = 0; i < M ; i++) {
+    a[i] = ( -2.0*(V[i+1]-V[i])/R[i] - F[i] - F[i+1] ) / (R[i]*R[i]);
+    //a[i] = ( -2.0*(V[i+1]-V[i])/sqrt(R[i]) - F[i] - F[i+1] ) / R[i];
+    b[i] = ( 3.0*(V[i+1]-V[i]) + (2.0*F[i]+F[i+1])*R[i] ) / (R[i]*R[i]);
+    //b[i] = ( 3.0*(V[i+1]-V[i]) + (2.0*F[i]+F[i+1])*sqrt(R[i]) ) / R[i];
+    c[i] = -F[i];
+    d[i] = V[i];
+  }
+}
+
+// cubic spline
+
+double spline(double a,double b,double c,double d,double x) {
+  return (a*x*x*x + b*x*x + c*x + d);
+}
+
+int main() {
+  int M=0; 			// M+1 = number of images
+  double *fmdottan;		// projection of real forces on tangent path
+  double *coords;		// initial value of reaction coords
+  double *V; 			// energy of images
+  double *dist;			// square of the distance between images
+  double *a, *b, *c, *d ;	// coefficients of cubic functions 
+  double x;			// reaction coordinate
+  double A,B; 			// additional variables for rnd
+  double length = 0.0;
+  int i,j;
+  FILE *data;
+  
+  printf("Enter M = number of images - 1 \n");
+  scanf("%d",&M);
+
+  // allocating and initializing tables
+  
+  a = calloc(M,sizeof(double));			// cubic coefficients
+  b = calloc(M,sizeof(double));
+  c = calloc(M,sizeof(double));
+  d = calloc(M,sizeof(double));
+  V = calloc((M+1),sizeof(double)); 		// energies
+  coords = calloc((M+1),sizeof(double));	// reaction coordinates 
+  fmdottan = calloc((M+1),sizeof(double));	// fm dot tangent
+  dist = calloc(M+1,sizeof(double));		// distance between images
+  
+  // reading input file
+
+  if((data=fopen("neb_init.dat","r")) == NULL) {
+    printf("Incorrect input file name.");
+    return 0;
+  }
+
+  for(j=0; j < M+1; j++) {
+    fscanf(data,"%lf\t%lf\t%lf\t%lf\n",&coords[j],&V[j],&fmdottan[j],&dist[j]);
+    length += dist[j];
+    printf("%lf %lf %lf %lf\n",coords[j],V[j],fmdottan[j],dist[j]);
+  }
+
+  if( (fclose(data)) == 0) {
+  	printf("Data stored, input file closed.\n ");
+  }
+
+  // calculate value of coefficients
+  
+  count_coefficient(V,fmdottan,dist,a,b,c,d,M);
+ 
+  // plot result of the interpolation
+
+  if( ( data=fopen("interpolation_result.dat","w") )== NULL) {
+    printf("Interpolation file could not be open.");
+    return 0;
+  }
+ 
+  A = B = 0.0;
+  for(i = 0; i < M ; i++) {
+    B += dist[i];
+    printf("%13le\n",B);
+    for(j = 0; j <= 1000; j++) {
+      x = dist[i]*1.0e-3*j;
+      fprintf(data,"%13lf\t%13le\n",(x+A)/length,spline(a[i],b[i],c[i],d[i],x));
+    }
+    A += dist[i];
+  }
+
+  return 0;
+}
diff --git a/tools/spin/interpolate_gneb/neb_init.dat b/tools/spin/interpolate_gneb/neb_init.dat
new file mode 100644
index 0000000000000000000000000000000000000000..7a56274a31c3417dc730a36841051b836b70ab35
--- /dev/null
+++ b/tools/spin/interpolate_gneb/neb_init.dat
@@ -0,0 +1,8 @@
+0.0000000	-3.915271	3.4995081e-17	2.4573077
+0.14285714	-3.9148148	-0.00059075739	2.4573077
+0.28571429	-3.9136926	-0.00072315767	2.4573077
+0.42857143	-3.9127883	-0.0003191228	2.4573265
+0.57142857	-3.9127883	0.0003191228	2.4403341
+0.71428571	-3.9136926	0.00072315767	2.4044093
+0.85714286	-3.9148148	0.00059075739	2.3766041
+1.0000000	-3.915271	-4.1231828e-17	0.0000000
diff --git a/tools/vim/README.txt b/tools/vim/README.txt
index eb040aa4cdeb8f3402770fcef1b16d509c67b0a7..29ce1822b840ce7bb37b20eeb4614a370e7f51e2 100644
--- a/tools/vim/README.txt
+++ b/tools/vim/README.txt
@@ -7,10 +7,10 @@ end on *.lmp or start with in.* (see mysyntax.vim).
 By far not all commands are included
 in the syntax file (lammps.vim). You can easily add new ones.
 
-=To enable the highlighting:
+=To enable the highlighting (compatible with old versions of VIM):
 ============================
 (0)   Create a ~/.vimrc
-      You can have a look in /usr/local/share/vim/current/vimrc.example
+      You can have a look in /usr/share/vim/vim*/vimrc_example.vim
 (1)   Insert in ~/.vimrc
          let mysyntaxfile = "~/.vim/mysyntax.vim"
       just before
@@ -22,23 +22,21 @@ in the syntax file (lammps.vim). You can easily add new ones.
 
 (0) Create/edit ~/.vimrc to contain:
          syntax on
-(1) Create directories ~/.vim and ~/.vim/syntax
+(1) Create directories ~/.vim/syntax and ~/.vim/ftdetect
 (2) Copy lammps.vim to ~/.vim/syntax/lammps.vim
-(3) Create/edit ~/.vim/filetype.vim to contain
+(3) Copy filetype.vim to ~/.vim/ftdetect/lammps.vim
 
-" vim syntax highlight customizations
-if exists("did_load_filetypes")
- finish
-endif
 
-augroup filetypedetect
- au! BufRead,BufNewFile in.*           setfiletype lammps
- au! BufRead,BufNewFile *.lmp          setfiletype lammps
-augroup END
-(4) the end
+Gerolf Ziegenhain <gerolf@ziegenhain.com> 2007
 
+Distribution Packaging guidelines:
+==================================
 
-Gerolf Ziegenhain <gerolf@ziegenhain.com> 2007
+(0) Copy lammps.vim to ${VIMFILES}/syntax/lammps.vim
+(1) Copy filetype.vim as ${VIMFILES}/ftdetect/lammps.vim
+
+${VIMFILES} is typically /usr/share/vim/vimfiles
+Consult your packaging guidlines for exact location.
 
 ---------------
 
diff --git a/tools/vim/filetype.vim b/tools/vim/filetype.vim
new file mode 100644
index 0000000000000000000000000000000000000000..8bc2315144f4b705deb123f04ec654fe21af4641
--- /dev/null
+++ b/tools/vim/filetype.vim
@@ -0,0 +1,4 @@
+augroup filetypedetect
+ au! BufRead,BufNewFile in.*           setfiletype lammps
+ au! BufRead,BufNewFile *.lmp          setfiletype lammps
+augroup END
diff --git a/tools/vim/lammps.vim b/tools/vim/lammps.vim
index be26f3081e78bffb53e1afe9d82da77f3d686c9c..69676ba4519b4b45e4627bba977a60589d2dad56 100644
--- a/tools/vim/lammps.vim
+++ b/tools/vim/lammps.vim
@@ -2,25 +2,26 @@
 " Language:	         Lammps Simulation Script File
 " Maintainer:        Gerolf Ziegenhain <gerolf@ziegenhain.com>
 " Updates:           Axel Kohlmeyer <akohlmey@gmail.com>, Sam Bateman <sam.bateman@nrlssc.navy.mil>, Daniel Möller Montull <d.moller.m@gmail.com>
-" Latest Revision:   2012-06-19
+" Latest Revision:   2019-06-11
 
 syn clear
 
-syn keyword	lammpsOutput	log write_restart restart dump undump thermo thermo_modify thermo_style print 
-syn keyword	lammpsRead	include read read_restart read_data
+syn keyword	lammpsOutput	log write_data write_dump info shell write_restart restart dump undump thermo thermo_modify thermo_style print timer
+syn keyword	lammpsRead	include read_restart read_data read_dump molecule
 syn keyword	lammpsLattice	boundary units atom_style lattice region create_box create_atoms dielectric
-syn keyword	lammpsLattice	delete_atoms change_box dimension replicate
-syn keyword	lammpsParticle	pair_coeff pair_style pair_modify mass velocity angle_coeff angle_style
-syn keyword	lammpsParticle	atom_modify atom_style bond_coeff bond_style delete_bonds kspace_style
+syn keyword	lammpsLattice	delete_atoms displace_atoms change_box dimension replicate
+syn keyword	lammpsParticle	pair_coeff pair_style pair_modify pair_write mass velocity angle_coeff angle_style
+syn keyword	lammpsParticle	atom_modify atom_style bond_coeff bond_style bond_write create_bonds delete_bonds kspace_style
 syn keyword	lammpsParticle	kspace_modify dihedral_style dihedral_coeff improper_style improper_coeff
-syn keyword	lammpsSetup	min_style fix_modify run_style timestep neighbor neigh_modify fix unfix
-syn keyword	lammpsSetup	communicate newton nthreads processors reset_timestep
-syn keyword	lammpsRun	minimize run  
-syn keyword	lammpsDefine	variable group compute
+syn keyword	lammpsSetup	min_style fix_modify run_style timestep neighbor neigh_modify fix unfix suffix special_bonds
+syn keyword	lammpsSetup	balance box clear comm_modify comm_style newton package processors reset_ids reset_timestep
+syn keyword	lammpsRun	minimize run rerun tad neb prd quit server temper temper/grem temper/npt
+syn keyword	lammpsRun	min/spin message hyper dynamical_matrix
+syn keyword	lammpsDefine	variable group compute python set uncompute kim_query
 
 syn keyword	lammpsRepeat	jump next loop
 
-syn keyword	lammpsOperator	equal add sub mult div 
+syn keyword	lammpsOperator	equal add sub mult div
 
 syn keyword	lammpsConditional if then elif else