1
subroutine totale (dval)
2
implicit double precision (a-h,o-z)
10
if (nuc.le.0) go to 30
12
20 dp(i)=d(i)*(3-dr(i)*dr(i)/(dr(nuc)*dr(nuc)))/(dr(nuc)+dr(nuc))
14
30 call somm (dr,dp,dq,dpas,dc(1),0,np)
19
40 d(i)=d(i)*exchee(d(i),dr(i))
24
call somm (dr,dp,dq,dpas,dc(3),0,np)
25
call somm (dr,dvn,dq,dpas,dc(5),0,np)
26
call somm (dr,d,dq,dpas,dc(2),0,np)
28
dval=dval-half*dc(5)-dc(2)
29
dc(2)=dc(3)-dc(1)-dc(5)-dc(2)
31
if (iprint .ge. 5) write(16,50) dval,dc(4),dc(3),dc(2),dc(1)
32
50 format (1h0,5x,'et=',1pe14.7,5x,'ec=',1pe14.7,5x,'ee=',1pe14.7,5x,
33
1 'ex=',1pe14.7,5x,'en=',1pe14.7)