SiteInfo

class atomate2.lobster.schemas.SiteInfo(*, env, bonds, ion, charge, relevant_bonds)

Bases: BaseModel

Outer model describing sites field of Sites model.

Parameters:

• env (str)

• bonds (dict[str, BondsInfo])

• ion (str)

• charge (float)

• relevant_bonds (list[str])

model_config = {}

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