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<HEAD>
<TITLE>LAMMPS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="Large-scale Atomic/Molecular Massively Parallel Simulator">
<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>
<BODY>
<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>
</CENTER>
<HR>
<H1></H1>
<CENTER><H3>LAMMPS Documentation
</H3></CENTER>
<CENTER>(7 Jul 2009 version of LAMMPS)
</CENTER>
<P>LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
Simulator.
</P>
<P>LAMMPS is a classical molecular dynamics simulation code designed to
run efficiently on parallel computers. It was developed at Sandia
National Laboratories, a US Department of Energy facility, with
funding from the DOE. It is an open-source code, distributed freely
under the terms of the GNU Public License (GPL).
</P>
<P>The developers of LAMMPS are <A HREF = "http://www.cs.sandia.gov/~sjplimp">Steve Plimpton</A>, Paul Crozier, and
Aidan Thompson who can be contacted at sjplimp,pscrozi,athomps at
sandia.gov. The <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> at http://lammps.sandia.gov has
more information about the code and its uses.
</P>
<HR>
<P>The LAMMPS documentation is organized into the following sections. If
you find errors or omissions in this manual or have suggestions for
useful information to add, please send an email to the developers so
we can improve the LAMMPS documentation.
</P>
<P>Once you are familiar with LAMMPS, you may want to bookmark <A HREF = "Section_commands.html#comm">this
page</A> at Section_commands.html#comm since
it gives quick access to documentation for all LAMMPS commands.
</P>
<P><A HREF = "Manual.pdf">PDF file</A> of the entire manual, generated by
<A HREF = "http://www.easysw.com/htmldoc">htmldoc</A>
</P>
<P>IMPORTANT NOTE: If you browse the LAMMPS HTML doc pages from the
LAMMPS WWW site, then they describe the most current, fully-patched
version of LAMMPS, which has changed after the date listed above.
These additions are described on <A HREF = "http://lammps.sandia.gov/bug.html">this
page</A>. If you browse the HTML doc
pages from the doc directory of the tarball you downloaded, then they
will describe that tarball, whether it was the original version for
the date listed above, or an upgraded tarball including features up to
the date you downloaded it, again as described on <A HREF = "http://lammps.sandia.gov/bug.html">this
page</A>. When the tarball unpacks, it
will contain the date that corresponds to which version you
downloaded. The PDF file described above is not regenerated for every
patch, so it always corresponds to the original version with the date
listed above.
</P>
<OL><LI><A HREF = "Section_intro.html">Introduction</A>
<UL> 1.1 <A HREF = "Section_intro.html#1_1">What is LAMMPS</A>
<BR>
1.2 <A HREF = "Section_intro.html#1_2">LAMMPS features</A>
<BR>
1.3 <A HREF = "Section_intro.html#1_3">LAMMPS non-features</A>
<BR>
1.4 <A HREF = "Section_intro.html#1_4">Open source distribution</A>
<BR>
1.5 <A HREF = "Section_intro.html#1_5">Acknowledgments and citations</A>
<BR></UL>
<LI><A HREF = "Section_start.html">Getting started</A>
<UL> 2.1 <A HREF = "Section_start.html#2_1">What's in the LAMMPS distribution</A>
<BR>
2.2 <A HREF = "Section_start.html#2_2">Making LAMMPS</A>
<BR>
2.3 <A HREF = "Section_start.html#2_3">Making LAMMPS with optional packages</A>
<BR>
2.4 <A HREF = "Section_start.html#2_4">Building LAMMPS as a library</A>
<BR>
2.5 <A HREF = "Section_start.html#2_5">Running LAMMPS</A>
<BR>
2.6 <A HREF = "Section_start.html#2_6">Command-line options</A>
<BR>
2.7 <A HREF = "Section_start.html#2_7">Screen output</A>
<BR>
2.8 <A HREF = "Section_start.html#2_8">Tips for users of previous versions</A>
<BR></UL>
<LI><A HREF = "Section_commands.html">Commands</A>
<UL> 3.1 <A HREF = "Section_commands.html#3_1">LAMMPS input script</A>
<BR>
3.2 <A HREF = "Section_commands.html#3_2">Parsing rules</A>
<BR>
3.3 <A HREF = "Section_commands.html#3_3">Input script structure</A>
<BR>
3.4 <A HREF = "Section_commands.html#3_4">Commands listed by category</A>
<BR>
3.5 <A HREF = "Section_commands.html#3_5">Commands listed alphabetically</A>
<BR></UL>
<LI><A HREF = "Section_howto.html">How-to discussions</A>
<UL> 4.1 <A HREF = "Section_howto.html#4_1">Restarting a simulation</A>
<BR>
4.2 <A HREF = "Section_howto.html#4_2">2d simulations</A>
<BR>
4.3 <A HREF = "Section_howto.html#4_3">CHARMM and AMBER force fields</A>
<BR>
4.4 <A HREF = "Section_howto.html#4_4">Running multiple simulations from one input script</A>
<BR>
4.5 <A HREF = "Section_howto.html#4_5">Parallel tempering</A>
<BR>
4.6 <A HREF = "Section_howto.html#4_6">Granular models</A>
<BR>
4.7 <A HREF = "Section_howto.html#4_7">TIP3P water model</A>
<BR>
4.8 <A HREF = "Section_howto.html#4_8">TIP4P water model</A>
<BR>
4.9 <A HREF = "Section_howto.html#4_9">SPC water model</A>
<BR>
4.10 <A HREF = "Section_howto.html#4_10">Coupling LAMMPS to other codes</A>
<BR>
4.11 <A HREF = "Section_howto.html#4_11">Visualizing LAMMPS snapshots</A>
<BR>
4.12 <A HREF = "Section_howto.html#4_12">Non-orthogonal simulation boxes</A>
<BR>
4.13 <A HREF = "Section_howto.html#4_13">NEMD simulations</A>
<BR>
4.14 <A HREF = "Section_howto.html#4_14">Extended spherical and aspherical particles</A>
<BR>
4.15 <A HREF = "Section_howto.html#4_15">Output from LAMMPS (thermo, dumps, computes, fixes, variables)</A>
<BR>
4.16 <A HREF = "Section_howto.html#4_16">Thermostatting, barostatting, and compute temperature</A>
<BR></UL>
<LI><A HREF = "Section_example.html">Example problems</A>
<LI><A HREF = "Section_perf.html">Performance & scalability</A>
<LI><A HREF = "Section_tools.html">Additional tools</A>
<LI><A HREF = "Section_modify.html">Modifying & Extending LAMMPS</A>
<LI><A HREF = "Section_errors.html">Errors</A>
<UL> 9.1 <A HREF = "Section_errors.html#9_1">Common problems</A>
<BR>
9.2 <A HREF = "Section_errors.html#9_2">Reporting bugs</A>
<BR>
9.3 <A HREF = "Section_errors.html#9_3">Error & warning messages</A>
<BR></UL>
<LI><A HREF = "Section_history.html">Future and history</A>
<UL> 10.1 <A HREF = "Section_history.html#10_1">Coming attractions</A>
<BR>
10.2 <A HREF = "Section_history.html#10_2">Past versions</A>
<BR></UL>
</OL>
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