lammps repo with additional modules
Diffusion lammps (runner)
Recent Commits
Recent Commits
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 13bbbd83a65c | junge | state at discussion with daniele | Oct 19 2017 | ||||
| d0c5303a7652 | junge | added the example input and fixed user runner so it compiles | Oct 16 2017 | ||||
| 8803a35705be | junge | small edits to the comments on RuNNer | Oct 14 2017 | ||||
| a8b43a6b3ca0 | junge | Comments on RuNNer potential for Bill | Oct 3 2017 | ||||
| 13bc8ff59733 | junge | final state cneuronet | Oct 3 2017 | ||||
| 4f65214374a5 | junge | starting to converge | Nov 25 2016 | ||||
| 54b3c132547e | junge | in debugging mat-vec acceleration | Nov 24 2016 | ||||
| da035f544113 | junge | Functional and robust, but slow | Nov 24 2016 | ||||
| f8f387e54aa4 | junge | report mostly done | Nov 24 2016 | ||||
| 7be4149876e5 | junge | report taking shape | Nov 23 2016 | ||||
| 06c4402e598b | junge | Confirmed correct behaviour in two-atom system | Nov 23 2016 | ||||
| dc8a7e4273f7 | junge | First time functional looking | Nov 22 2016 | ||||
| c2e6ebe10955 | junge | Forces correct! just need to correct ghosts now | Nov 22 2016 | ||||
| 3c030b5fdba0 | junge | slightly messed up state | Nov 21 2016 | ||||
| ba6bee2443ea | junge | unfunctional forces | Nov 18 2016 |
README
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
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