2 !*==CENTCM.spg processed by SPAG 6.55Dc at 09:26 on 23 Sep 2005
4 IMPLICIT DOUBLE PRECISION(A-H,O-Z)
11 PARAMETER (KP=2001,KR=2001,KG=2001)
12 COMMON /LCS / X0(3,-2:NM) , X(3,-2:NM,5) , XIN(3,-2:NM)
13 COMMON /MOLEC / LPBc(3) , MOLsp , MOLsa , NBX , NBY , NBZ , NPLa ,&
26 IF ( (cm1.EQ.0.D0) .AND. (cm2.EQ.0.D0) .AND. (cm3.EQ.0.D0) ) &
29 X0(1,i) = X0(1,i) - cm1
30 X0(2,i) = X0(2,i) - cm2
31 X0(3,i) = X0(3,i) - cm3
32 XIN(1,i) = XIN(1,i) - cm1
33 XIN(2,i) = XIN(2,i) - cm2
34 XIN(3,i) = XIN(3,i) - cm3
39 IMPLICIT DOUBLE PRECISION(A-H,O-Z)
46 PARAMETER (KP=2001,KR=2001,KG=2001)
47 COMMON /LCS / X0(3,-2:NM) , X(3,-2:NM,5) , XIN(3,-2:NM)
48 COMMON /MOLEC / LPBc(3) , MOLsp , MOLsa , NBX , NBY , NBZ , NPLa ,&