VaspVolumetricArchive

class emmet.archival.vasp.volumetric.VaspVolumetricArchive(**data)

Bases: Archiver

Archive all CHGCAR-like volumetric data associated with a VASP calculation.

Parameters:

• file_names (list[str])

• volumetric_archives (list[VolumetricArchive])

• identifier (str | None)

to_arrow()

Create an arrow table of volumetric data.

Return type:

Table

classmethod from_arrow(table, file_names=None)

Extract volumetric data from an arrow table.

Defaults to extracting all available data within an archive.

Return type:

list[dict[str, VolumetricData | str]]

Parameters:

• table (Table)

• file_names (Sequence[str] | None)

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].