ChargeComparisons¶

class atomate2.lobster.schemas.ChargeComparisons(*, bva_mulliken_agree=None, bva_loewdin_agree=None)[source]¶

Bases: BaseModel

Model describing the charges field in the CalcQualitySummary model.

Parameters:

bva_mulliken_agree (bool | None)
bva_loewdin_agree (bool | None)

model_config = {}¶: Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].