| Type | Intent | Optional | 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 |
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