atomate2.vasp.schemas.calculation

Core definitions of a VASP calculation documents.

Classes

Calculation	Full VASP calculation inputs and outputs.
CalculationInput	Document defining VASP calculation inputs.
CalculationOutput	Document defining VASP calculation outputs.
ElectronPhononDisplacedStructures	Document defining electron phonon displaced structures.
ElectronicStep	Document defining the information at each electronic step.
FrequencyDependentDielectric	Frequency-dependent dielectric data.
IonicStep	Document defining the information at each ionic step.
PotcarSpec	Document defining a VASP POTCAR specification.
RunStatistics	Summary of the run statistics for a VASP calculation.
Status	VASP calculation state.
VaspObject	Types of VASP data objects.