| ! { dg-do compile } | |
| ! { dg-options "-O2" } | |
| SUBROUTINE CASHES(E,HESS,FC,FA,NORB,NPR) | |
| IMPLICIT DOUBLE PRECISION (A-H,O-Z) | |
| PARAMETER (MXAO=2047) | |
| DIMENSION HESS(NPR),E(NORB,*),FC(*),FA(*) | |
| COMMON /IJPAIR/ IA(MXAO) | |
| COMMON /MCPAR / NFZC,NCORBS,NCI,NORBS,NORBX,NUM | |
| K=0 | |
| DO 200 IU = 1,NORB - NCORBS | |
| I = IU + NCORBS | |
| II=IA(I)+I | |
| DO 100 J = 1,NCORBS | |
| IF (I.GT.NORBS) THEN | |
| HESS(K)=FC(II) + FA(II) - E(J,J) | |
| ELSE | |
| HESS(K)=FA(II) - E(I,I) - E(J,J) + FC(JJ) + FA(JJ) | |
| END IF | |
| 100 CONTINUE | |
| 200 CONTINUE | |
| RETURN | |
| END |