Forcefield Modules

Energy evaluation, force calculation, and forcefield modification

Energy (Module)

Calculate total system energy and its contributions

EPSR (Module)

Refine interatomic potentials according to the methodology of Soper

EPSR Manager (Module)

Modify and average the empirical potential.

Forces (Module)

Calculate atomic forces for configurations

Last modified February 24, 2023: Docs 1.0 (#1221) (6f6c04b7e)