| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer(kind=n_int), | intent(in) | :: | ilut(0:nifguga) | |||
| integer(kind=n_int), | intent(inout) | :: | exc(0:nifguga) | |||
| real(kind=dp), | intent(out) | :: | branch_pgen | |||
| type(ExcitationInformation_t), | intent(in), | optional | :: | excitInfo_in |
subroutine create_crude_double(ilut, exc, branch_pgen, excitInfo_in) integer(n_int), intent(in) :: ilut(0:nifguga) integer(n_int), intent(inout) :: exc(0:nifguga) real(dp), intent(out) :: branch_pgen type(ExcitationInformation_t), intent(in), optional :: excitInfo_in character(*), parameter :: this_routine = "create_crude_double" type(ExcitationInformation_t) :: excitInfo call stop_all(this_routine, "not yet implemented ") if (present(excitInfo_in)) then excitInfo = excitInfo_in else call stop_all(this_routine, "not yet implemented without excitInfo_in") end if ! i think i still have to reuse the excitInfo information of the ! excitation type.. do I still know where the holes and electrons are ! in the double excitations? exc = ilut select case (excitInfo%typ%val) ! maybe i can combine some of them together ! i think i can.. but i have to think about that more clearly! case (excit_type%single_overlap_L_to_R%val, & excit_type%single_overlap_R_to_L%val) ! single overlap excitation end select if (.not. isProperCSF_ilut(exc)) then ! i have to check if i created a proper CSF branch_pgen = 0.0_dp end if end subroutine create_crude_double