emmet.archival.vasp.raw

Define archival formats for raw VASP calculation data.

Functions

raw_archive_hierarchy_from_files

Arrange files into the hierarchical structure expected by RawArchive.

Classes

RawArchive

Archive a raw VASP calculation directory and remove copyright-protected info.

TYPE_CHECKING

bool(x) -> bool

VASP_RAW_DATA_ORG

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).