make_distinct_super_configurations#

libcasm.configuration.make_distinct_super_configurations(
motif: Configuration,
supercell: Supercell,
) → list[Configuration]#

Make configurations that fill a supercell and are equivalent with respect to the prim factor group, but distinct by supercell factor group operations

Parameters:

  • motif (Configuration) – The initial configuration, with DoF values to be filled into the supercell.

  • supercell (Supercell) – The supercell to be filled by the motif configuration.

Returns:

distinct – The configurations in distinct are all generated by filling supercell with motif, but may not be generated from each other using SupercellSymOp.

Return type:

list[Configuration]