lammps/f709a723cd97lammm-devel
lammm-devel vs master
Commit | Author | Details | Committed | ||||
---|---|---|---|---|---|---|---|
d1bbe9546c02 | junge | Merge branch 'master' into lammm-devel | Oct 20 2017 | ||||
6b075c81de07 | junge | Merge branch 'runner' into lammm-devel | Oct 20 2017 | ||||
2eb073c85cce | junge | Merge branch 'efficient_neuronet' into lammm-devel | Oct 20 2017 | ||||
b45fb6713b7f | junge | state at discussion with daniele | Oct 20 2017 | ||||
1ebe65076d3b | junge | final state cneuronet | Oct 20 2017 | ||||
49f2159c2cd8 | junge | Confirmed correct behaviour in two-atom system | Oct 20 2017 | ||||
eb9ef2452b83 | junge | First time functional looking | Oct 20 2017 | ||||
0683d7d23ba0 | junge | mostly tested, ready to go main | Oct 20 2017 | ||||
a87e5f381f0d | junge | Verified, yields identical results to pmd | Oct 20 2017 | ||||
545da2f40cea | junge | Ryo's neuronet without Memory issues, not tested yet | Oct 19 2017 |
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 couple code coupling examples using LAMMPS as a library doc documentation examples simple test problems lib libraries LAMMPS can be linked with potentials interatomic potential files python Python wrapper on LAMMPS as a library src source files tools pre- and post-processing tools
Point your browser at any of these files to get started:
doc/Manual.html the LAMMPS manual doc/Section_intro.html hi-level introduction to LAMMPS doc/Section_start.html how to build and use LAMMPS doc/Developer.pdf LAMMPS developer guide