Result

class ase2sprkkr.asr.magstate.Result(is_magnetic, magmom, magmoms, magstate, nspins)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.asr.magstate.Result

Constructor

Parameters:
  • is_magnetic (bool)

  • magmom (float)

  • magmoms (List[float])

  • magstate (str)

  • nspins (int)

__init__(is_magnetic, magmom, magmoms, magstate, nspins)

Instantiate result.

Parameters:
  • data (Dict[str, Any]) – Input data to be wrapped.

  • metadata (dict) – Dictionary containing metadata.

  • strict (bool or None) – Strictly enforce data entries in data.

property magstate: str

Magnetic state.

property is_magnetic: bool

Is the material magnetic?

property magmoms: List[float]

Atomic magnetic moments.

property magmom: float

Total magnetic moment.

property nspins: int

Number of spins in system.

key_descriptions: Dict[str, str] = {'is_magnetic': 'Is the material magnetic?', 'magmom': 'Total magnetic moment.', 'magmoms': 'Atomic magnetic moments.', 'magstate': 'Magnetic state.', 'nspins': 'Number of spins in system.'}
formats = {'ase_webpanel': <function webpanel>}
_known_data_keys = {'is_magnetic', 'magmom', 'magmoms', 'magstate', 'nspins'}
strict = True