atomate2.vasp.sets.eosΒΆ

Module defining equation of state (EOS) parameter sets.

Three families of sets: default atomate2 params, MP GGA compatible, and MP meta-GGA compatible

Classes

EosSetGenerator

Class to generate VASP EOS deformation + relax input sets.

MPGGAEosRelaxSetGenerator

Class to generate MP-compatible VASP GGA EOS relax input sets.

MPGGAEosStaticSetGenerator

Class to generate MP-compatible VASP GGA EOS relax input sets.

MPLegacyEosRelaxSetGenerator

Class to generate atomate1-MP-compatible VASP GGA EOS relax input sets.

MPLegacyEosStaticSetGenerator

Class to generate atomate1-MP-compatible VASP GGA EOS relax input sets.

MPMetaGGAEosPreRelaxSetGenerator

Class to generate MP-compatible VASP meta-GGA pre-relaxation input sets.

MPMetaGGAEosRelaxSetGenerator

Class to generate MP-compatible VASP meta-GGA relaxation input sets.

MPMetaGGAEosStaticSetGenerator

Class to generate MP-compatible VASP Meta-GGA static input sets.

TYPE_CHECKING

bool(x) -> bool