matscipy.calculators

Modules

matscipy.calculators.calculator

matscipy.calculators.committee

Implements the Committee (of Models) approach.

matscipy.calculators.eam

Implements the Embedded Atom Method

matscipy.calculators.ewald

matscipy.calculators.fitting

Helper routines for potential fitting

matscipy.calculators.manybody

matscipy.calculators.mcfm

matscipy.calculators.pair_potential

matscipy.calculators.polydisperse

matscipy.calculators.supercell_calculator

Run calculation on a supercell of the atomic structure.