chemcoord.PointGroupOperations¶
-
class
chemcoord.
PointGroupOperations
(sch_symbol, operations, tolerance=0.1)[source]¶ Defines a point group as sequence of symmetry operations.
Parameters: - sch_symbol (str) – Schoenflies symbol of the point group.
- operations (
numpy.ndarray
) – Initial set of symmetry operations. It is sufficient to provide only just enough operations to generate the full set of symmetries. - tolerance (float) – Tolerance to generate the full set of symmetry operations.