enddo
Esaxs_constr = dlog(Cnorm)
do k=1,nsaxs
- Esaxs_constr = Esaxs_constr - Psaxs(k)*dlog(Pcalc(k))
+ if (Pcalc(k).gt.0.0d0)
+ & Esaxs_constr = Esaxs_constr - Psaxs(k)*dlog(Pcalc(k))
#ifdef DEBUG
write (iout,*) "k",k," Esaxs_constr",Esaxs_constr
#endif
auxX=0.0d0
auxX1=0.d0
do k=1,nsaxs
- auxC = auxC +Psaxs(k)*PgradC(k,l,i)/Pcalc(k)
+ if (Pcalc(k).gt.0)
+ & auxC = auxC +Psaxs(k)*PgradC(k,l,i)/Pcalc(k)
auxC1 = auxC1+PgradC(k,l,i)
#ifdef ALLSAXS
auxX = auxX +Psaxs(k)*PgradX(k,l,i)/Pcalc(k)