Merge pull request #1253 from akohlmey/final-cosmetic-changes (ad1b1897) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+4 −1

Original line number	Diff line number	Diff line
		@@ -221,7 +221,7 @@ else()
		endif()


		set(LAMMPS_SIZES "smallbig" CACHE STRING "LAMMPS size limit")
		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})
		validate_option(LAMMPS_SIZES LAMMPS_SIZES_VALUES)
		@@ -856,6 +856,9 @@ if(PKG_USER-AWPMD)
		endif()

		if(PKG_USER-ATC)
		if(LAMMPS_SIZES STREQUAL BIGBIG)
		message(FATAL_ERROR "The USER-ATC Package is not compatible with -DLAMMPS_BIGBIG")
		endif()
		target_link_libraries(atc ${LAPACK_LIBRARIES})
		endif()

+2 −2

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		@@ -621,8 +621,8 @@ The USER-ATC package requires the MANYBODY package also be installed.

		[CMake build]:

		No additional settings are needed besides "-D PKG_REAX=yes" and "-D
		PKG_MANYBODY=yes".
		No additional settings are needed besides "-D PKG_USER-ATC=yes"
		and "-D PKG_MANYBODY=yes".

		[Traditional make]:

+2 −2

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		<!-- HTML_ONLY -->
		<HEAD>
		<TITLE>LAMMPS Users Manual</TITLE>
		<META NAME="docnumber" CONTENT="7 Dec 2018 version">
		<META NAME="docnumber" CONTENT="12 Dec 2018 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
		7 Dec 2018 version :c,h2
		12 Dec 2018 version :c,h2

		"What is a LAMMPS version?"_Manual_version.html

+1 −1

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		@@ -485,7 +485,7 @@ README for more info on Pizza.py and how to use these scripts.

		reax tool :h4,link(reax_tool)

		The reax sub-directory contains stand-alond codes that can
		The reax sub-directory contains stand-alone codes that can
		post-process the output of the "fix reax/bonds"_fix_reax_bonds.html
		command from a LAMMPS simulation using "ReaxFF"_pair_reax.html. See
		the README.txt file for more info.

+4 −3

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		@@ -160,7 +160,7 @@ unaffected by interactions with other particles. Note that if you
		expect a rigid body not to move or rotate by using these keywords, you
		must insure its initial center-of-mass translational or angular
		velocity is 0.0. Otherwise the initial translational or angular
		momentum the body has will persist.
		momentum, the body has, will persist.

		An xflag, yflag, or zflag set to {off} means turn off the component of
		force or torque in that dimension. A setting of {on} means turn on
		@@ -287,9 +287,10 @@ bodies. The number of columns is 28. Thus for each rigid body, 28
		values are stored: the xyz coords of the center of mass (COM), the xyz
		components of the COM velocity, the xyz components of the force acting
		on the COM, the components of the 4-vector quaternion representing the
		orientation of the rigid body, the xyz components of the angular momentum
		orientation of the rigid body, the xyz components of the angular velocity
		of the body around its COM, the xyz components of the torque acting on the
		COM, the 3 principal components of the moment of inertia and the xyz image
		COM, the 3 principal components of the moment of inertia, the xyz components
		of the angular momentum of the body around its COM, and the xyz image
		flags of the COM.

		The center of mass (COM) for each body is similar to unwrapped