emmet.core.vasp.calculation

Core definitions of a VASP calculation documents.

Functions

Create trajectories from a list of Calculation Objects.

Classes

`Calculation`	Full VASP calculation inputs and outputs.
`CalculationBaseModel`	Wrapper around pydantic BaseModel with extra functionality.
`CalculationInput`	Document defining VASP calculation inputs.
`CalculationOutput`	Wrapper for CoreCalculationOutput for parsing and storing larger fields.
`CoreCalculationOutput`	Document defining core VASP calculation outputs.
`ElectronPhononDisplacedStructures`	Document defining electron phonon displaced structures.
`FrequencyDependentDielectric`	Frequency-dependent dielectric data.
`IonicStep`	Document defining the information at each ionic step.
`Potcar`
`PotcarSpec`	Document defining a VASP POTCAR specification.
`RunStatistics`	Summary of the run statistics for a VASP calculation.
`TYPE_CHECKING`	bool(x) -> bool
`TypedPotcarKeywordsDict`
`TypedPotcarStatsDict`
`TypedPotcarSummaryStatsDict`
`TypedStatisticsDict`