atomate2.common.jobs.eos

Define common jobs used in EOS workflows, electronic-structure code agnostic.

Functions

apply_strain_to_structure

Apply strain(s) to input structure and return transformation(s) as list.

Classes

EOSPostProcessor	Fit data to an EOS.
MPMorphEVPostProcess	Modified E(V) fit to accommodate MPMorph.
MPMorphPVPostProcess	Modified p(V) fit to accommodate MPMorph.
PostProcessEosEnergy	Fit energy vs. volume data to an EOS.
PostProcessEosPressure	Fit pressure vs. volume data to an EOS.
TYPE_CHECKING	bool(x) -> bool