Result

class ase2sprkkr.asr.borncharges.Result(sym_a, Z_avv)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.asr.borncharges.Result

Constructor

Parameters:
  • sym_a (List[str]) –

  • Z_avv (ndarray) –

__init__(sym_a, Z_avv)

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 Z_avv: ndarray

Array of borncharges.

property sym_a: List[str]

Chemical symbols.

key_descriptions: Dict[str, str] = {'Z_avv': 'Array of borncharges.', 'sym_a': 'Chemical symbols.'}
formats = {'ase_webpanel': <function webpanel>}
_known_data_keys = {'Z_avv', 'sym_a'}
strict = True