Merging to stay up-to-date after patch 5Jun2019 (cea1bd9c) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+7 −1

Original line number	Diff line number	Diff line
		@@ -322,7 +322,7 @@ find_package(OpenMP QUIET)
		# 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_EQUAL 9.0.0))
		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})
		@@ -1134,6 +1134,12 @@ if(PKG_OPT)
		endif()

		if(PKG_USER-INTEL)
		include(CheckIncludeFile)
		check_include_file(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)")

+1 −1

Original line number	Diff line number	Diff line
		.TH LAMMPS "31 May 2019" "2019-05-31"
		.TH LAMMPS "5 June 2019" "2019-06-05"
		.SH NAME
		.B LAMMPS
		\- Molecular Dynamics Simulator.

+7 −0

Original line number	Diff line number	Diff line
		@@ -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 -->

+24 −8

Original line number	Diff line number	Diff line
		@@ -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,

+5 −2

Original line number	Diff line number	Diff line
		@@ -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,