A

Automated Potential Development

Project information

Workflow to automate development of fitting data for optimizing interatomic potentials. Leverages ATAT, Pymatgen and interfaces currently with MEAMfit and VASP (other potential optimizers and DFT calculators to follow).

596 Commits
1 Branch
0 Tags

README
BSD 3-Clause "New" or "Revised" License
GitLab Pages

Created on

May 14, 2021

Loading