Implementation of AtomsBase and AtomsCalculators compatible
empirical interatomic potentials. At the moment, the following
potentials are provided:
- LennardJones (multi-species)
- Morse (multi-species)
- ZBL
- StillingerWeber (Si)
EAM is planned, but there is no ETA. At the moment potentials have fixed parameters. Extension for parameterized potentials (low-level AtomsCalculators interface) are planned, but also no ETA.
Issues to request adding other potentials or functionality or PRs implementing them are welcome.