Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F93693326
README.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Nov 30, 18:39
Size
4 KB
Mime Type
text/html
Expires
Mon, Dec 2, 18:39 (1 d, 20 h)
Engine
blob
Format
Raw Data
Handle
18283817
Attached To
rLAMMPS lammps
README.html
View Options
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2//EN">
<HTML>
<HEAD>
<META NAME="Generator" CONTENT="Cosmo Create 1.0.3">
</HEAD>
<BODY>
<H2>
LAMMPS</H2>
<P>
LAMMPS = Large-scale Atomic/Molecular Massively Parallel Simulator</P>
<P>
This is the documentation for the LAMMPS 99 version, written in F77,
which has been superceded by more current versions. See the <A
HREF="http://www.cs.sandia.gov/~sjplimp/lammps.html">LAMMPS WWW
Site</A> for more information.
<P>
LAMMPS is a classical molecular dynamics code designed for simulating
molecular and atomic systems on parallel computers using
spatial-decomposition techniques. It runs on any parallel platform that
supports the MPI message-passing library or on single-processor
workstations.</P>
<P>
LAMMPS 99 is copyrighted code that is distributed freely as
open-source software under the GNU Public License (GPL). See the
LICENSE file or <A HREF="http://www.gnu.org">www.gnu.org</A> for more
details. Basically the GPL allows you as a user to use, modify, or
distribute LAMMPS however you wish, so long as any software you
distribute remains under the GPL.
<P>
Features of LAMMPS 99 include:</P>
<UL>
<LI>
short-range pairwise Lennard-Jones and Coulombic interactions
<LI>
long-range Coulombic interactions via Ewald or PPPM (particle-mesh
Ewald)
<LI>
short-range harmonic bond potentials (bond, angle, torsion, improper)
<LI>
short-range class II (cross-term) molecular potentials
<LI>
NVE, NVT, NPT dynamics
<LI>
constraints on atoms or groups of atoms
<LI>
rRESPA long-timescale integrator
<LI>
energy minimizer (Hessian-free truncated Newton method)
</UL>
<P>
More details about the code can be found <A HREF="#_cch3_930958294">here</A>,
in the HTML-based documentation. There is also a conference paper
describing the parallel algorithms used in the code:</P>
<P>
S. J. Plimpton, R. Pollock, M. Stevens, "Particle-Mesh Ewald and
rRESPA for Parallel Molecular Dynamics Simulations", in Proc of
the Eighth SIAM Conference on Parallel Processing for Scientific
Computing, Minneapolis, MN, March 1997.</P>
<P>
LAMMPS was originally developed as part of a 5-way CRADA collaboration
between 3 industrial partners (Cray Research, Bristol-Myers Squibb, and
Dupont) and 2 DoE laboratories (Sandia National Laboratories and
Lawrence Livermore National Laboratories).</P>
<P>
The primary author of LAMMPS is Steve Plimpton, but others have written
or worked on significant portions of the code:</P>
<UL>
<LI>
Roy Pollock (LLNL): Ewald, PPPM solvers
<LI>
Mark Stevens (Sandia): rRESPA, NPT integrators
<LI>
Eric Simon (Cray Research): class II force fields
<LI>
Todd Plantenga (Sandia): energy minimizer
<LI>
Steve Lustig (Dupont): msi2lmp tool
<LI>
Mike Peachey (Cray Research): msi2lmp tool
</UL>
<P>
Other CRADA partners involved in the design and testing of LAMMPS are </P>
<UL>
<LI>
John Carpenter (Cray Research)
<LI>
Terry Stouch (Bristol-Myers Squibb)
<LI>
Jim Belak (LLNL)
</UL>
<P>
LAMMPS is copyrighted code that is distributed freely as open-source
software under the GNU Public License (GPL). See the LICENSE file or
<A HREF="http://www.gnu.org">www.gnu.org</A> for more details.
Basically the GPL allows you as a user to use, modify, or distribute
LAMMPS however you wish, so long as any software you distribute
remains under the GPL.
<P>
If you have questions about LAMMPS, please contact me:
</P>
<DL>
<DT>
Steve Plimpton
<DD>
sjplimp@sandia.gov
<DD>
www.cs.sandia.gov/~sjplimp
<DD>
Sandia National Labs
<DD>
Albuquerque, NM 87185
</DL>
<HR>
<H3>
<A NAME="_cch3_930958294">More Information about LAMMPS</A></H3>
<DIR>
<LI>
<A HREF="basics.html">Basics</A>
<DIR>
<LI>
how to make, run, and test LAMMPS with the example problems
</DIR>
<LI>
<A HREF="input_commands.html">Input Commands</A>
<DIR>
<LI>
a complete listing of input commands used by LAMMPS
</DIR>
<LI>
<A HREF="data_format.html">Data Format</A>
<DIR>
<LI>
the data file format used by LAMMPS
</DIR>
<LI>
<A HREF="force_fields.html">Force Fields</A>
<DIR>
<LI>
the equations LAMMPS uses to compute force-fields
</DIR>
<LI>
<A HREF="units.html">Units</A>
<DIR>
<LI>
the input/output and internal units for LAMMPS variables
</DIR>
<LI>
<A HREF="crib.html">Crib</A>
<DIR>
<LI>
a one-line description of the variables used in LAMMPS
</DIR>
<LI>
<A HREF="history.html">History</A>
<DIR>
<LI>
a brief timeline of features added to LAMMPS
</DIR>
</DIR>
</BODY>
</HTML>
Event Timeline
Log In to Comment