lammps/b69ece12b2eelammm-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 (7 Jul 2009) 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 (7 Jul 2009) distribution includes the following files and directories:
README this file LICENSE the GNU General Public License (GPL) bench benchmark problems doc documentation examples simple test problems lib libraries LAMMPS can be linked with potentials interatomic potential files 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