forked from lijiext/lammps
332 lines
8.3 KiB
HTML
332 lines
8.3 KiB
HTML
<HTML>
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<HEAD>
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<TITLE>LAMMPS Users Manual</TITLE>
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<META NAME="docnumber" CONTENT="Large-scale Atomic/Molecular Massively Parallel Simulator">
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<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
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<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
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</HEAD>
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<BODY>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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</CENTER>
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<HR>
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<H1></H1>
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<CENTER><H3>LAMMPS Documentation
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</H3></CENTER>
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<H4>Version info:
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</H4>
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<P>The LAMMPS "version" is the date when it was released, such as 1 May
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2010. LAMMPS is updated continuously. Whenever we fix a bug or add a
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feature, we release it immediately, and post a notice on <A HREF = "http://lammps.sandia.gov/bug.html">this page of
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the WWW site</A>. Each dated copy of LAMMPS contains all the
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features and bug-fixes up to and including that version date. The
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version date is printed to the screen and logfile every time you run
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LAMMPS. It is also in the file src/version.h and in the LAMMPS
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directory name created when you unpack a tarball.
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</P>
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<UL><LI>If you browse the HTML doc pages on the LAMMPS WWW site, they always
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describe the most current version of LAMMPS.
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<LI>If you browse the HTML doc pages included in your tarball, they
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describe the version you have.
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<LI>The <A HREF = "Manual.pdf">PDF file</A> on the WWW site or in the tarball is updated
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about once per month. This is because it is large, and we don't want
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it to be part of very patch.
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<LI>There is also a <A HREF = "Developers.pdf">Developers.pdf</A> file in the doc
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directory, which describes the internal structure and algorithms of
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LAMMPS.
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</UL>
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<P>LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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</P>
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<P>LAMMPS is a classical molecular dynamics simulation code designed to
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run efficiently on parallel computers. It was developed at Sandia
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National Laboratories, a US Department of Energy facility, with
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funding from the DOE. It is an open-source code, distributed freely
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under the terms of the GNU Public License (GPL).
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</P>
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<P>The primary developers of LAMMPS are <A HREF = "http://www.sandia.gov/~sjplimp">Steve Plimpton</A>, Aidan
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Thompson, and Paul Crozier who can be contacted at
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sjplimp,athomps,pscrozi at sandia.gov. The <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> at
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http://lammps.sandia.gov has more information about the code and its
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uses.
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</P>
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<HR>
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<P>The LAMMPS documentation is organized into the following sections. If
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you find errors or omissions in this manual or have suggestions for
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useful information to add, please send an email to the developers so
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we can improve the LAMMPS documentation.
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</P>
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<P>Once you are familiar with LAMMPS, you may want to bookmark <A HREF = "Section_commands.html#comm">this
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page</A> at Section_commands.html#comm since
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it gives quick access to documentation for all LAMMPS commands.
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</P>
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<P><A HREF = "Manual.pdf">PDF file</A> of the entire manual, generated by
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<A HREF = "http://www.easysw.com/htmldoc">htmldoc</A>
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</P>
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<OL><LI><A HREF = "Section_intro.html">Introduction</A>
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<UL> 1.1 <A HREF = "Section_intro.html#1_1">What is LAMMPS</A>
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<BR>
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1.2 <A HREF = "Section_intro.html#1_2">LAMMPS features</A>
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<BR>
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1.3 <A HREF = "Section_intro.html#1_3">LAMMPS non-features</A>
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<BR>
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1.4 <A HREF = "Section_intro.html#1_4">Open source distribution</A>
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<BR>
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1.5 <A HREF = "Section_intro.html#1_5">Acknowledgments and citations</A>
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<BR></UL>
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<LI><A HREF = "Section_start.html">Getting started</A>
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<UL> 2.1 <A HREF = "Section_start.html#2_1">What's in the LAMMPS distribution</A>
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<BR>
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2.2 <A HREF = "Section_start.html#2_2">Making LAMMPS</A>
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<BR>
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2.3 <A HREF = "Section_start.html#2_3">Making LAMMPS with optional packages</A>
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<BR>
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2.4 <A HREF = "Section_start.html#2_4">Building LAMMPS as a library</A>
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<BR>
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2.5 <A HREF = "Section_start.html#2_5">Running LAMMPS</A>
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<BR>
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2.6 <A HREF = "Section_start.html#2_6">Command-line options</A>
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<BR>
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2.7 <A HREF = "Section_start.html#2_7">Screen output</A>
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<BR>
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2.8 <A HREF = "Section_start.html#2_8">Tips for users of previous versions</A>
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<BR></UL>
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<LI><A HREF = "Section_commands.html">Commands</A>
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<UL> 3.1 <A HREF = "Section_commands.html#3_1">LAMMPS input script</A>
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<BR>
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3.2 <A HREF = "Section_commands.html#3_2">Parsing rules</A>
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<BR>
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3.3 <A HREF = "Section_commands.html#3_3">Input script structure</A>
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<BR>
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3.4 <A HREF = "Section_commands.html#3_4">Commands listed by category</A>
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<BR>
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3.5 <A HREF = "Section_commands.html#3_5">Commands listed alphabetically</A>
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<BR></UL>
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<LI><A HREF = "Section_howto.html">How-to discussions</A>
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<UL> 4.1 <A HREF = "Section_howto.html#4_1">Restarting a simulation</A>
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<BR>
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4.2 <A HREF = "Section_howto.html#4_2">2d simulations</A>
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<BR>
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4.3 <A HREF = "Section_howto.html#4_3">CHARMM and AMBER force fields</A>
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<BR>
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4.4 <A HREF = "Section_howto.html#4_4">Running multiple simulations from one input script</A>
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<BR>
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4.5 <A HREF = "Section_howto.html#4_5">Multi-replica simulations</A>
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<BR>
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4.6 <A HREF = "Section_howto.html#4_6">Granular models</A>
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<BR>
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4.7 <A HREF = "Section_howto.html#4_7">TIP3P water model</A>
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<BR>
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4.8 <A HREF = "Section_howto.html#4_8">TIP4P water model</A>
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<BR>
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4.9 <A HREF = "Section_howto.html#4_9">SPC water model</A>
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<BR>
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4.10 <A HREF = "Section_howto.html#4_10">Coupling LAMMPS to other codes</A>
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<BR>
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4.11 <A HREF = "Section_howto.html#4_11">Visualizing LAMMPS snapshots</A>
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<BR>
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4.12 <A HREF = "Section_howto.html#4_12">Triclinic (non-orthogonal) simulation boxes</A>
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<BR>
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4.13 <A HREF = "Section_howto.html#4_13">NEMD simulations</A>
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<BR>
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4.14 <A HREF = "Section_howto.html#4_14">Extended spherical and aspherical particles</A>
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<BR>
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4.15 <A HREF = "Section_howto.html#4_15">Output from LAMMPS (thermo, dumps, computes, fixes, variables)</A>
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<BR>
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4.16 <A HREF = "Section_howto.html#4_16">Thermostatting, barostatting, and compute temperature</A>
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<BR>
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4.17 <A HREF = "Section_howto.html#4_17">Walls</A>
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<BR>
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4.18 <A HREF = "Section_howto.html#4_18">Elastic constants</A>
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<BR>
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4.19 <A HREF = "Section_howto.html#4_19">Library interface to LAMMPS</A>
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<BR>
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4.20 <A HREF = "Section_howto.html#4_20">Calculating thermal conductivity</A>
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<BR>
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4.21 <A HREF = "Section_howto.html#4_21">Calculating viscosity</A>
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<BR></UL>
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<LI><A HREF = "Section_example.html">Example problems</A>
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<LI><A HREF = "Section_perf.html">Performance & scalability</A>
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<LI><A HREF = "Section_tools.html">Additional tools</A>
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<LI><A HREF = "Section_modify.html">Modifying & extending LAMMPS</A>
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<LI><A HREF = "Section_python.html">Python interface</A>
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<UL> 9.1 <A HREF = "Section_python.html#9_1">Extending Python with a serial version of LAMMPS</A>
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<BR>
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9.2 <A HREF = "Section_python.html#9_2">Creating a shared MPI library</A>
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<BR>
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9.3 <A HREF = "Section_python.html#9_3">Extending Python with a parallel version of LAMMPS</A>
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<BR>
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9.4 <A HREF = "Section_python.html#9_4">Extending Python with MPI</A>
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<BR>
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9.5 <A HREF = "Section_python.html#9_5">Testing the Python-LAMMPS interface</A>
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<BR>
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9.6 <A HREF = "Section_python.html#9_6">Using LAMMPS from Python</A>
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<BR>
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9.7 <A HREF = "Section_python.html#9_7">Example Python scripts that use LAMMPS</A>
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<BR></UL>
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<LI><A HREF = "Section_accelerate.html">Using accelerated CPU and GPU styles</A>
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<UL> 10.1 <A HREF = "Section_accelerate.html#10_1">OPT package</A>
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<BR>
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10.2 <A HREF = "Section_accelerate.html#10_2">GPU package</A>
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<BR>
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10.3 <A HREF = "Section_accelerate.html#10_3">USER-CUDA package</A>
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<BR>
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10.4 <A HREF = "Section_accelerate.html#10_4">Comparison of GPU and USER-CUDA packages</A>
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<BR></UL>
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<LI><A HREF = "Section_errors.html">Errors</A>
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<UL> 11.1 <A HREF = "Section_errors.html#11_1">Common problems</A>
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<BR>
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11.2 <A HREF = "Section_errors.html#11_2">Reporting bugs</A>
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<BR>
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11.3 <A HREF = "Section_errors.html#11_3">Error & warning messages</A>
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<BR></UL>
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<LI><A HREF = "Section_history.html">Future and history</A>
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<UL> 12.1 <A HREF = "Section_history.html#12_1">Coming attractions</A>
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<BR>
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12.2 <A HREF = "Section_history.html#12_2">Past versions</A>
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<BR></UL>
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</OL>
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</BODY>
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</HTML>
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