DosComparisons

class atomate2.lobster.schemas.DosComparisons(*, tanimoto_orb_s=None, tanimoto_orb_p=None, tanimoto_orb_d=None, tanimoto_orb_f=None, tanimoto_summed=None, e_range, n_bins=None)

Bases: BaseModel

Model describing the DOS comparisons field in the CalcQualitySummary model.

Parameters:

• tanimoto_orb_s (float | None)

• tanimoto_orb_p (float | None)

• tanimoto_orb_d (float | None)

• tanimoto_orb_f (float | None)

• tanimoto_summed (float | None)

• e_range (list[float | None])

• n_bins (int | None)

model_config = {}

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