lammps/e96ac8eb5996lammm-master
lammm-master vs master
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 775e8f3cc8f5 | junge | mostly tested, ready to go main | Nov 7 2016 | ||||
| a96d5dcf7eed | junge | Fixed pointless re-allocations | Nov 3 2016 | ||||
| e9c79e2ccc41 | junge | Fixed handling of periodic ghost atoms | Nov 3 2016 | ||||
| f5a9a0b3a196 | junge | Added reference output, to be checked after modifs | Oct 28 2016 | ||||
| 54e59b9c658c | junge | Verified, yields identical results to pmd | Oct 28 2016 | ||||
| b5ca9162c1f1 | junge | Runs without memory issues, not tested yet | Oct 27 2016 | ||||
| b8881218030b | junge | All module variables are now class members | Oct 26 2016 | ||||
| c40fdd35b65a | junge | restart read/write added | Oct 26 2016 | ||||
| 7a23f3894a40 | junge | Compiles, untested, no restart | Oct 26 2016 | ||||
| 8bdd57215fa3 | junge | Now links (except mpi) | Oct 24 2016 |
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