AtomicKind¶

class atomate2.cp2k.schemas.task.AtomicKind(*, element=None, basis=None, potential=None, auxiliary_basis=None, ghost=None)[source]¶

Bases: BaseModel

A representation of the most important information about each type of species.

Parameters:

element (str)
basis (str)
potential (str)
auxiliary_basis (str | None)
ghost (bool)

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