| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(inout) | :: | string(ras_class%nelec_1+ras_class%nelec_2+ras_class%nelec_3) | |||
| type(ras_parameters), | intent(in) | :: | ras | |||
| type(ras_class_data), | intent(in) | :: | ras_class |
pure subroutine generate_first_full_string(string, ras, ras_class) type(ras_parameters), intent(in) :: ras type(ras_class_data), intent(in) :: ras_class integer, intent(inout) :: string(ras_class%nelec_1 + ras_class%nelec_2 + & ras_class%nelec_3) integer :: i, counter ! In each space subspace (RAS1, RAS2, RAS3) put each electron in the lowest orbitals. counter = 1 do i = 1, ras_class%nelec_1 string(i) = counter counter = counter + 1 end do counter = 1 do i = ras_class%nelec_1 + 1, ras_class%nelec_1 + ras_class%nelec_2 string(i) = ras%size_1 + counter counter = counter + 1 end do counter = 1 do i = ras_class%nelec_1 + ras_class%nelec_2 + 1, tot_nelec string(i) = ras%size_1 + ras%size_2 + counter counter = counter + 1 end do end subroutine generate_first_full_string