! { 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 |