make_superstructure#

libcasm.xtal.make_superstructure(
transformation_matrix_to_super: numpy.ndarray[numpy.int64[3, 3]],
structure: Structure,
) Structure#

Make a superstructure

Parameters:
  • transformation_matrix_to_super (numpy.ndarray[numpy.int64[3, 3]]) – The transformation matrix, T, relating the superstructure lattice vectors, S, to the unit structure lattice vectors, L, according to S = L @ T, where S and L are shape=(3,3) matrices with lattice vectors as columns.

  • structure (Structure) – The unit structure used to form the superstructure.

Returns:

superstructure – The superstructure.

Return type:

Structure