forked from lijiext/lammps
266 lines
6.8 KiB
HTML
266 lines
6.8 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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<CENTER>(15 Jan 2010 version of LAMMPS)
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</CENTER>
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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>, Paul
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Crozier, and Aidan Thompson who can be contacted at
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sjplimp,pscrozi,athomps 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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<P>IMPORTANT NOTE: If you browse the LAMMPS HTML doc pages from the
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LAMMPS WWW site, then they describe the most current, fully-patched
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version of LAMMPS, which has changed after the date listed above.
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These additions are described on <A HREF = "http://lammps.sandia.gov/bug.html">this
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page</A>. If you browse the HTML doc
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pages from the doc directory of the tarball you downloaded, then they
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will describe that tarball, whether it was the original version for
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the date listed above, or an upgraded tarball including features up to
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the date you downloaded it, again as described on <A HREF = "http://lammps.sandia.gov/bug.html">this
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page</A>. When the tarball unpacks, it
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will contain the date that corresponds to which version you
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downloaded. The PDF file described above is not regenerated for every
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patch, so it always corresponds to the original version with the date
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listed above.
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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">Running on GPUs</A>
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<BR>
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2.9 <A HREF = "Section_start.html#2_9">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">Parallel tempering</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">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></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_errors.html">Errors</A>
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<UL> 9.1 <A HREF = "Section_errors.html#9_1">Common problems</A>
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<BR>
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9.2 <A HREF = "Section_errors.html#9_2">Reporting bugs</A>
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<BR>
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9.3 <A HREF = "Section_errors.html#9_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> 10.1 <A HREF = "Section_history.html#10_1">Coming attractions</A>
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<BR>
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10.2 <A HREF = "Section_history.html#10_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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