get_tgt_sym Function

public function get_tgt_sym(tgt, src) result(sym)

Determine the symmetry of the third orbital @param[in] tgt array of size 3, the first two entries are two orbitals to excite to @param[in] src array of size 3, the three orbitals excited from @return sym symmetry of the last orbital to excite to

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: tgt(3)
integer, intent(in) :: src(3)

Return Value integer


Contents

Source Code

get_tgt_sym

Source Code

    function get_tgt_sym(tgt, src) result(sym)
        integer, intent(in) :: tgt(3)
        integer, intent(in) :: src(3)
        integer :: sym

        type(symmetry) :: s_tmp

        ! Get the symmetry of the target orb
        s_tmp = symprod(G1(src(1))%Sym, G1(src(2))%Sym)
        s_tmp = symprod(G1(src(3))%Sym, s_tmp)
        s_tmp = symprod(symconj(G1(tgt(1))%Sym), s_tmp)
        s_tmp = symprod(symconj(G1(tgt(2))%Sym), s_tmp)
        s_tmp = symconj(s_tmp)
        sym = int(s_tmp%S)
    end function get_tgt_sym