atomate2.forcefields.flows.eos

Flows to generate EOS fits using machine learned interatomic potentials.

Classes

CHGNetEosMaker

Generate equation of state data using the CHGNet ML forcefield.

ForceFieldEosMaker

Generate equation of state data using an ML forcefield.

M3GNetEosMaker

Generate equation of state data using the M3GNet ML forcefield.

MACEEosMaker

Generate equation of state data using the MACE-MP-0 ML forcefield.

TYPE_CHECKING

bool(x) -> bool