ChargeSpilling

class atomate2.lobster.schemas.ChargeSpilling(*, abs_charge_spilling, abs_total_spilling)

Bases: BaseModel

Model describing the Charge spilling field in the CalcQualitySummary model.

Parameters:

• abs_charge_spilling (float)

• abs_total_spilling (float)

model_config = {}

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