Commit a04711b2 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by zero errors

parent e084d4da

src/pair.cpp

+1 −0
Original line number Diff line number Diff line
@@ -242,6 +242,7 @@ void Pair::init() 
  for (i = 1; i <= atom->ntypes; i++)

    for (j = i; j <= atom->ntypes; j++) {

      cut = init_one(i,j);

      if (cut <= 0.0) error->all(FLERR,"Illegal pair style cutoff <= 0.0");

      cutsq[i][j] = cutsq[j][i] = cut*cut;

      cutforce = MAX(cutforce,cut);

      if (tail_flag) {

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