make_symmetry_operator

libadcc.make_symmetry_operator(mospaces: libadcc.MoSpaces, space: str, operator_symmetry: str, cartesian_transformation: str) → libadcc.Symmetry

Return the Symmetry object for an orbital subspace block of a one-particle operator

mospaces MoSpaces object space Space string (e.g. o1v1) operator_symmetry

Describes the symmetry of the tensor (only in effect if both subspaces of the space string are identical). Valid are “nosymmetry”, “hermitian” and “antihermitian”.

cartesian_transformation

The cartesian function according to which the operator transforms.

Valid cartesian_transformation values include:

“1” Totally symmetric (default) “x”, “y”, “z” Coordinate axis “xx”, “xy”, “yz” … Products of two coordinate axis “Rx”, “Ry”, “Rz” Rotations about the coordinate axis