ForceFieldMeta

class atomate2.forcefields.schemas.ForceFieldMeta(*, forcefield_name=None, forcefield_version='Unknown', dir_name=None, included_objects=None, objects=None, is_force_converged=None)[source]

Bases: BaseModel

Add metadata to forcefield output documents.

Parameters:
  • forcefield_name (str | None)

  • forcefield_version (str | None)

  • dir_name (str | None)

  • included_objects (list[AseObject] | None)

  • objects (dict[AseObject, Any] | None)

  • is_force_converged (bool | None)

property forcefield_objects: dict[AseObject, Any] | None

Alias objects attr for backwards compatibility.

model_config = {}

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