Go to file
Axel Kohlmeyer a7a4ea76a2
update LAMMPS logo with raytraced version
2020-10-14 22:57:02 -04:00
.github update code owners 2020-09-25 17:52:51 -04:00
bench Merge branch 'master' into collected-small-changes 2020-10-14 13:11:30 -04:00
cmake avoid CMake failure when reporting packages without any of them enabled 2020-10-14 14:59:24 -04:00
doc update LAMMPS logo with raytraced version 2020-10-14 22:57:02 -04:00
examples remove outdated "examples/accelerate" folder 2020-10-14 07:56:58 -04:00
fortran make f2c_string utility function portable across fortran compilers 2020-10-02 10:36:17 -04:00
lib Merge pull request #2402 from ndtrung81/gpu-dpd 2020-10-14 17:18:02 -04:00
potentials add unit conversion to pair styles eim, gw, gw/zbl, and nb3b/harmonic 2020-06-28 16:49:23 -04:00
python handle the case where the variable type is invalid and thus a null pointer is returned 2020-10-12 06:16:28 -04:00
src Merge pull request #2418 from akohlmey/collected-small-changes 2020-10-14 17:45:10 -04:00
tools update singularity definitions for readline 6/7 to have a pkg-config file 2020-10-14 15:06:57 -04:00
unittest Merge branch 'master' into collected-small-changes 2020-10-14 13:11:30 -04:00
.gitattributes Add .gitattributes 2020-07-30 10:51:21 -06:00
.gitignore ignore LAMMPS shell history files 2020-10-04 12:27:40 -04:00
LICENSE LICENSE: update address of Free Software Foundation 2017-07-21 17:13:28 -06:00
README update list of main folders and descriptions 2020-09-19 02:53:36 -04:00

README

This is the LAMMPS software package.

LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
Simulator.

Copyright (2003) Sandia Corporation.  Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software.  This software is distributed under
the GNU General Public License.

----------------------------------------------------------------------

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).

The primary author of the code is Steve Plimpton, who can be emailed
at sjplimp@sandia.gov.  The LAMMPS WWW Site at lammps.sandia.gov has
more information about the code and its uses.

The LAMMPS distribution includes the following files and directories:

README                     this file
LICENSE                    the GNU General Public License (GPL)
bench                      benchmark problems
cmake                      CMake build files
doc                        documentation
examples                   simple test problems
fortran                    Fortran wrapper for LAMMPS
lib                        additional provided or external libraries
potentials                 interatomic potential files
python                     Python wrappers for LAMMPS
src                        source files
tools                      pre- and post-processing tools

Point your browser at any of these files to get started:

https://lammps.sandia.gov/doc/Manual.html         LAMMPS user manual
https://lammps.sandia.gov/doc/Intro.html          hi-level introduction
https://lammps.sandia.gov/doc/Build.html          how to build LAMMPS
https://lammps.sandia.gov/doc/Run_head.html       how to run LAMMPS
https://lammps.sandia.gov/doc/Commands_all.html   Table of available commands
https://lammps.sandia.gov/doc/pg_library.html     LAMMPS programmer guide
https://lammps.sandia.gov/doc/Modify.html         how to modify and extend LAMMPS
https://lammps.sandia.gov/doc/pg_developer.html   LAMMPS developer guide

You can also create these doc pages locally:

% cd doc
% make html                # creates HTML pages in doc/html
% make pdf                 # creates Manual.pdf