3 SUBROUTINE CASHES
(E
,HESS
,FC
,FA
,NORB
,NPR
)
4 IMPLICIT DOUBLE PRECISION (A
-H
,O
-Z
)
6 DIMENSION HESS
(NPR
),E
(NORB
,*),FC
(*),FA
(*)
7 COMMON /IJPAIR
/ IA
(MXAO
)
8 COMMON /MCPAR
/ NFZC
,NCORBS
,NCI
,NORBS
,NORBX
,NUM
10 DO 200 IU
= 1,NORB
- NCORBS
15 HESS
(K
)=FC
(II
) + FA
(II
) - E
(J
,J
)
17 HESS
(K
)=FA
(II
) - E
(I
,I
) - E
(J
,J
) + FC
(JJ
) + FA
(JJ
)