store_hf_coeff Subroutine

public subroutine store_hf_coeff(e_values, e_vecs, target_state, hf_coeff, hf_ind, gs_ind)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: e_values(:)
real(kind=dp), intent(in) :: e_vecs(:,:)
integer, intent(in), optional :: target_state
real(kind=dp), intent(out) :: hf_coeff
integer, intent(out) :: hf_ind
integer, intent(out) :: gs_ind

Contents

Source Code


Source Code

    subroutine store_hf_coeff(e_values, e_vecs, target_state, hf_coeff, hf_ind, gs_ind)
        real(dp), intent(in) :: e_values(:), e_vecs(:,:)
        integer, intent(in), optional :: target_state
        real(dp), intent(out) :: hf_coeff
        integer, intent(out) :: hf_ind, gs_ind

        real(dp) :: gs_vec(size(e_values))
        integer :: target_state_
        def_default(target_state_,target_state,1)

        gs_ind = my_minloc(e_values, target_state)

        gs_vec = abs(e_vecs(:,gs_ind))

        hf_ind = maxloc(gs_vec,1)
        hf_coeff = gs_vec(hf_ind)

    end subroutine store_hf_coeff