spatial Function

public elemental function spatial(spin_orb) result(spat_orb)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: spin_orb

Return Value integer


Contents

Source Code

spatial

Source Code

    elemental function spatial(spin_orb) result(spat_orb)

        ! Convert a spin orbital label into a spatial one. This is more
        ! appropriate than the above function, gtid, when one always wants the
        ! spatial label, regardless of the way integrals are being stored.

        integer, intent(in) :: spin_orb
        integer :: spat_orb

        spat_orb = (spin_orb - 1) / 2 + 1

    end function spatial