make_symmetry_orbital_coefficients

libadcc.make_symmetry_orbital_coefficients(mospaces: libadcc.MoSpaces, space: str, n_bas: SupportsInt | SupportsIndex, blocks: str = 'ab') → libadcc.Symmetry

Return the Symmetry object like it would be set up for the passed subspace of the orbital coefficients tensor.

mospaces MoSpaces object space Space string (e.g. o1b) n_bas Number of basis functions blocks Spin blocks to include. Valid are “ab”, “a” and “b”.