Unverified Commit a36d2573 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

make certain, we are not mixing cutoff and long-range coulomb when looking cutoffs

parent 8b49cac8
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+10 −3
Original line number Diff line number Diff line
@@ -945,17 +945,24 @@ void *PairHybrid::extract(const char *str, int &dim)
  void *cutptr = NULL;
  void *ptr;
  double cutvalue = 0.0;
  int couldim = -1;

  for (int m = 0; m < nstyles; m++) {
    ptr = styles[m]->extract(str,dim);
    if (ptr && strcmp(str,"cut_coul") == 0) {
      if (cutptr && dim != couldim)
        error->all(FLERR,
                   "Coulomb styles of pair hybrid sub-styles do not match");
      double *p_newvalue = (double *) ptr;
      double newvalue = *p_newvalue;
      if (cutptr && newvalue != cutvalue)
      if (cutptr && (newvalue != cutvalue))
        error->all(FLERR,
                   "Coulomb cutoffs of pair hybrid sub-styles do not match");
      if (dim == 0) {
        cutptr = ptr;
        cutvalue = newvalue;
      }
      couldim = dim;
    } else if (ptr) return ptr;
  }