MagneticOrderingInput

class atomate2.common.schemas.magnetism.MagneticOrderingInput(*, structure=None, ordering=None, magmoms=None, symmetry=None)[source]

Bases: BaseModel

Defines the input structure/ordering for a magnetic ordering calculation.

This is embedded in the MagneticOrderingOutput and MagneticOrderingRelaxation documents.

Parameters:

  • structure (Structure | None)

  • ordering (Ordering | None)

  • magmoms (list[float] | None)

  • symmetry (str | None)

model_config = {}

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