make_subgroup#

SymGroup.make_subgroup(
self: SymGroup,
head_group_index: collections.abc.Set[SupportsInt | SupportsIndex],
element: collections.abc.Sequence[SymOp] | None = None,
) → SymGroup#

Make a subgroup

Parameters:

  • head_group_index (set[int]) – Indices of elements in the head group (which may or may not be self) to include in the subgroup.

  • elements (Optional[list[SymOp]] = None) – If not None, use the provided elements for subgroup elements list. This allows representing subgroups of the space group with reference to the factor group. For example, cluster invariant groups need SymOp that have the correct translation to leave the cluster invariant, which may have a different translation than the corresponding element in the factor group elements list.