forked from lijiext/lammps
3168704858
example: atom_modify sort 1000 4.0 (Freq. of sorting, Cutoff distance) In order to print the actual time with the total mag., the vector associated to the mag. compute was modified. It is now: [time, Mx, My, Mz, |M|, En_mag] Optimization of the spin_compute routine: energy and mag. have been gathered in a same loop. |
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| cmake | ||
| doc | ||
| examples | ||
| lib | ||
| potentials | ||
| python | ||
| src | ||
| tools | ||
| .gitignore | ||
| LICENSE | ||
| README | ||
| in.cobalt | ||
| vmd_nano.vmd | ||
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