-
Notifications
You must be signed in to change notification settings - Fork 0
The "29 Sep 2021 - Update 3" repo was cloned and the reaxFF-CHON-2019 potential has been incorporated in this repo, since the force field is not available in LAMMPS and its implementation required some changes to the energy and force descriptions.
License
chaithanyak4796/lammps-chai
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
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) version 2. The primary author of the code is Steve Plimpton, who can be emailed at sjplimp@sandia.gov. The LAMMPS WWW Site at www.lammps.org 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 cmake CMake build files doc documentation examples simple test problems fortran Fortran wrapper for LAMMPS lib additional provided or external libraries potentials interatomic potential files python Python wrappers for LAMMPS src source files tools pre- and post-processing tools Point your browser at any of these files to get started: https://docs.lammps.org/Manual.html LAMMPS manual https://docs.lammps.org/Intro.html hi-level introduction https://docs.lammps.org/Build.html how to build LAMMPS https://docs.lammps.org/Run_head.html how to run LAMMPS https://docs.lammps.org/Commands_all.html Table of available commands https://docs.lammps.org/Library.html LAMMPS library interfaces https://docs.lammps.org/Modify.html how to modify and extend LAMMPS https://docs.lammps.org/Developer.html LAMMPS developer info You can also create these doc pages locally: % cd doc % make html # creates HTML pages in doc/html % make pdf # creates Manual.pdf
About
The "29 Sep 2021 - Update 3" repo was cloned and the reaxFF-CHON-2019 potential has been incorporated in this repo, since the force field is not available in LAMMPS and its implementation required some changes to the energy and force descriptions.
Topics
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published