Merge remote-tracking branch 'upstream/master' into python_refactoring (f8af7edf) · Commits · 郑智淋 / lammps

doc/src/Manual.txt

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		<!-- HTML_ONLY -->
		<HEAD>
		<TITLE>LAMMPS Users Manual</TITLE>
		<META NAME="docnumber" CONTENT="11 Apr 2017 version">
		<META NAME="docnumber" CONTENT="4 May 2017 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 @@
		<H1></H1>

		LAMMPS Documentation :c,h3
		11 Apr 2017 version :c,h4
		4 May 2017 version :c,h4

		Version info: :h4

		@@ -158,12 +158,11 @@ END_RST -->
		2.1 "What's in the LAMMPS distribution"_start_1 :ulb,b
		2.2 "Making LAMMPS"_start_2 :b
		2.3 "Making LAMMPS with optional packages"_start_3 :b
		2.4 "Building LAMMPS via the Make.py script"_start_4 :b
		2.5 "Building LAMMPS as a library"_start_5 :b
		2.6 "Running LAMMPS"_start_6 :b
		2.7 "Command-line options"_start_7 :b
		2.8 "Screen output"_start_8 :b
		2.9 "Tips for users of previous versions"_start_9 :ule,b
		2.4 "Building LAMMPS as a library"_start_4 :b
		2.5 "Running LAMMPS"_start_5 :b
		2.6 "Command-line options"_start_6 :b
		2.7 "Screen output"_start_7 :b
		2.8 "Tips for users of previous versions"_start_8 :ule,b
		"Commands"_Section_commands.html :l
		3.1 "LAMMPS input script"_cmd_1 :ulb,b
		3.2 "Parsing rules"_cmd_2 :b

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		@@ -1052,7 +1052,7 @@ package"_Section_start.html#start_3.
		"oxdna2/excv"_pair_oxdna2.html,
		"oxdna2/stk"_pair_oxdna2.html,
		"quip"_pair_quip.html,
		"reax/c (k)"_pair_reax_c.html,
		"reax/c (k)"_pair_reaxc.html,
		"smd/hertz"_pair_smd_hertz.html,
		"smd/tlsph"_pair_smd_tlsph.html,
		"smd/triangulated/surface"_pair_smd_triangulated_surface.html,

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		@@ -11171,6 +11171,12 @@ Self-explanatory. :dd
		If the fix changes the timestep, the dump dcd file will not
		reflect the change. :dd

		{Energy due to X extra global DOFs will be included in minimizer energies} :dt

		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

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		@@ -249,8 +249,12 @@ Pizza.py WWW site"_pizza. :l

		Specialized features :h5

		These are LAMMPS capabilities which you may not think of as typical
		molecular dynamics options:
		LAMMPS can be built with optional packages which implement a variety
		of additional capabilities. An overview of all the packages is "given
		here"_Section_packages.html.

		These are some LAMMPS capabilities which you may not think of as
		typical classical molecular dynamics options:

		"static"_balance.html and "dynamic load-balancing"_fix_balance.html
		"generalized aspherical particles"_body.html
		@@ -515,7 +519,7 @@ the packages they have written are somewhat unique to LAMMPS and the
		code would not be as general-purpose as it is without their expertise
		and efforts.

		Axel Kohlmeyer (Temple U), akohlmey at gmail.com, SVN and Git repositories, indefatigable mail list responder, USER-CG-CMM and USER-OMP packages
		Axel Kohlmeyer (Temple U), akohlmey at gmail.com, SVN and Git repositories, indefatigable mail list responder, USER-CGSDK and USER-OMP packages
		Roy Pollock (LLNL), Ewald and PPPM solvers
		Mike Brown (ORNL), brownw at ornl.gov, GPU package
		Greg Wagner (Sandia), gjwagne at sandia.gov, MEAM package for MEAM potential

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