reorder_sym_labels Subroutine

public subroutine reorder_sym_labels(ORBSYM, SYML, SYMLZ)

Arguments

Type IntentOptional Attributes Name
integer(kind=int64), intent(inout) :: ORBSYM(:)
integer, intent(inout) :: SYML(:)
integer, intent(inout) :: SYMLZ(:)

Contents

Source Code

reorder_sym_labels

Source Code

    subroutine reorder_sym_labels(ORBSYM, SYML, SYMLZ)
        integer(int64), intent(inout) :: ORBSYM(:)
        integer, intent(inout) :: SYML(:), SYMLZ(:)

        integer :: NORB

        if (allocated(orbital_permutation)) then
            NORB = size(orbital_permutation, dim = 1)
            ORBSYM(1:NORB) = ORBSYM(orbital_permutation)
            SYML(1:NORB) = SYML(orbital_permutation)
            SYMLZ(1:NORB) = SYMLZ(orbital_permutation)
        end if
    end subroutine reorder_sym_labels