atomate2.forcefields.flows

Flows for forcefields.

Modules

elastic	Flows for calculating elastic constants.
eos	Flows to generate EOS fits using CHGNet, M3GNet, or MACE.
gruneisen	Flows for calculating Grueneisen-Parameters.
mpmorph	Define MPMorph flows for interatomic forcefields.
phonons	Flows for calculating phonons.
qha	Define QHA flow for forcefields.
relax	Flows to combine a force field relaxation with another job (e.g. DFT relaxation).