blob: 477200f359a2215f4995252617b607d616fc6d99 [file] [log] [blame]
! { 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