| ! { dg-options "-O2 -fgraphite-identity " } |
| |
| MODULE qs_ks_methods |
| INTEGER, PARAMETER :: sic_list_all=1 |
| TYPE dft_control_type |
| INTEGER :: sic_list_id |
| END TYPE |
| CONTAINS |
| SUBROUTINE sic_explicit_orbitals( ) |
| TYPE(dft_control_type), POINTER :: dft_control |
| INTEGER, ALLOCATABLE, DIMENSION(:, :) :: sic_orbital_list |
| INTEGER, DIMENSION(:), & |
| POINTER :: mo_derivs |
| SELECT CASE(dft_control%sic_list_id) |
| CASE(sic_list_all) |
| DO i=1,k_alpha |
| IF (SIZE(mo_derivs,1)==1) THEN |
| ELSE |
| sic_orbital_list(3,iorb)=2 |
| ENDIF |
| ENDDO |
| END SELECT |
| CALL test() |
| END SUBROUTINE sic_explicit_orbitals |
| END MODULE qs_ks_methods |
