orgdisord.disordered_structure.DisorderGroup#

class orgdisord.disordered_structure.DisorderGroup[source]#

A class for representing a disorder group. This contains the fractional coordinates of the atoms in the group, their symbols and their symmetry operations.

__new__(**kwargs)#
__init__(label: str, atoms: ase.atoms.Atoms, symmetry_operations: List[Tuple[numpy.ndarray, numpy.ndarray]], occupancy: Optional[float] = None, special_disorder_symmetry: bool = False, tag: Optional[int] = None) → None#