#ifdef MPL
c endif
#endif
-C#define DEBUG
+#define DEBUG
#ifdef DEBUG
call enerprint(energia,fact)
#endif
-C#undef DEBUG
+#undef DEBUG
if (calc_grad) then
C
C Sum up the components of the Cartesian gradient.
num_conti=0
C write (iout,*) 'i',i,' ielstart',ielstart(i),' ielend',ielend(i)
do j=ielstart(i),ielend(i)
- if (j.le.1) cycle
+ if (j.lt.1) cycle
C if (itype(j).eq.ntyp1 .or. itype(j+1).eq.ntyp1
C & .or.itype(j+2).eq.ntyp1
C &) cycle