git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute_centro_atom.cpp

@@ -27,6 +27,8 @@
 
 using namespace LAMMPS_NS;
 
+#define INVOKED_PERATOM 4
+
 /* ---------------------------------------------------------------------- */
 
 ComputeCentroAtom::ComputeCentroAtom(LAMMPS *lmp, int narg, char **arg) :
@@ -89,6 +91,8 @@ void ComputeCentroAtom::compute_peratom()
   int *ilist,*jlist,*numneigh,**firstneigh;
   double pairs[66];
 
+  invoked |= INVOKED_PERATOM;
+
   // grow centro array if necessary
 
   if (atom->nlocal > nmax) {