MPI_Comm_size(world,&nprocs);

  nparticles = atom->nlocal;

  nparticles_tot = atom->natoms;

  nparticles_tot = static_cast<int> (atom->natoms);

  mbond = ReaxParams::mbond;

  FORTRAN(getnsbmax,GETNSBMAX)(&nsbmax);

  // nbuf_local = size of local buffer for table of atom bonds

  nbuf = 1+(2*nsbmax_most+7)*most;

  buf = memory->smalloc(nbuf*sizeof(double),"reax/bonds:buf");

  buf = (double *) memory->smalloc(nbuf*sizeof(double),"reax/bonds:buf");

  j = 2;

  jn = ReaxParams::nat;