forked from Atomistica/atomistica
MDCORE is an interatomic potential library compatible with ASE and LAMMPS
License
jvlautz/mdcore
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
MDCORE is a library of interatomic potentials. It currently supports the potentials described in the following publication: Lars Pastewka, Andreas Klemenz, Peter Gumbsch, Michael Moseler Screened empirical bond-order potential for Si-C arXiv:1301.2142 (http://arxiv.org/abs/1301.2142) MDCORE can be used in two distinct manners: 1. From Python using the Atomistic Simulation Environment (ASE - see https://wiki.fysik.dtu.dk/ase/) * Build instructions are in README.PYTHON * Examples are in examples/ASE 2. From within LAMMPS as a separate pair style (LAMMPS - see https://lammps.sandia.gov/) * Build instructions are in README.LAMMPS * Examples are in examples/LAMMPS You need the following packages: * Python 2.4.0 or greater (even if you do not compile the Python interface) (Some parts of the Python interface could rely on features from Python 2.6.0)
About
MDCORE is an interatomic potential library compatible with ASE and LAMMPS
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published