chemcoord.PointGroupOperations

class chemcoord.PointGroupOperations(sch_symbol, operations, tolerance=0.1)

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.

__init__(sch_symbol, operations, tolerance=0.1)

Parameters:

• sch_symbol (str)

• operations (Sequence[SymmOp])

• tolerance (float)

Return type:

None