AtomicKindSummary

pydantic model atomate2.cp2k.schemas.task.AtomicKindSummary

A summary of pseudo-potential type and functional.

field atomic_kinds: dict[str, AtomicKind] = None

dictionary mapping atomic kind labels to their info

classmethod from_atomic_kind_info(atomic_kind_info)

Initialize from the atomic_kind_info dictionary.

Parameters:

atomic_kind_info (dict)

Return type:

Self