make_symmetry_operator_basis

libadcc.make_symmetry_operator_basis(arg0: libadcc.MoSpaces, arg1: int, arg2: bool) → libadcc.Symmetry

Return the symmetry object for an operator in the AO basis. The object will represent a block-diagonal matrix of the form

( M 0 ) ( 0 M ).

where M is an n_bas x n_bas block and is indentical in upper-left and lower-right.

mospaces_ptr MoSpaces pointer n_bas Number of AO basis functions symmetric Is the tensor symmetric (only in effect if both space

axes identical). false disables a setup of permutational symmetry.