AtomicKindSummary

class atomate2.cp2k.schemas.task.AtomicKindSummary(*, atomic_kinds=None)

Bases: BaseModel

A summary of pseudo-potential type and functional.

Parameters:

atomic_kinds (dict[str, AtomicKind])

classmethod from_atomic_kind_info(atomic_kind_info)

Initialize from the atomic_kind_info dictionary.

Parameters:

atomic_kind_info (dict)

Return type:

Self

model_config = {}

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