ForceFieldDielectricDocument

class atomate2.forcefields.schemas.ForceFieldDielectricDocument(*, forcefield_name=None, forcefield_version='Unknown', dir_name=None, included_objects=None, objects=None, is_force_converged=None, structure, born, epsilon_static)

Bases: ForceFieldMeta

Born effective charges and dielectric tensor from a force field.

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)

• structure (Structure)

• born (list[tuple[tuple[float, float, float], tuple[float, float, float], tuple[float, float, float]]])

• epsilon_static (tuple[tuple[float, float, float], tuple[float, float, float], tuple[float, float, float]])

model_config = {}

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