OccEventRep

class libcasm.occ_events.OccEventRep(

self: OccEventRep,

integral_site_coordinate_rep: IntegralSiteCoordinateRep,

occupant_rep: list[list[int]],

atom_position_rep: list[list[list[int]]],

)

Bases: pybind11_object

Symmetry representation for transformating an OccEvent.

Constructor

Parameters:

• integral_site_coordinate_rep (IntegralSiteCoordinateRep) – Symmetry representation for transforming IntegralSiteCoordinate

• occupant_rep (List[List[int]]) –

  Permutations describe occupant index transformation under symmetry. Usage:

  occupant_index_after =

  occupant_rep[sublattice_index_before][occupant_index_before]

• atom_position_rep (List[List[List[int]]]) –

  Permutations describe atom position index transformation under symmetry.

  Usage:

  atom_position_index_after =

  atom_position_rep[sublattice_index_before][occupant_index_before][atom_position_index_before]

Methods

copy	Returns a copy of the OccEventRep.