add error check when updating variables in ::single() function

2021-04-13 14:59:37 -04:00
parent 9dbdb4386b
commit 8aed7e55b3
1 changed files with 3 additions and 0 deletions
--- a/src/pair_hybrid_scaled.cpp
+++ b/src/pair_hybrid_scaled.cpp
@ -396,6 +396,9 @@ double PairHybridScaled::single(int i, int j, int itype, int jtype, double rsq,
    double *vals = new double[nvars];
    for (i = 0; i < nvars; ++i) {
      j = input->variable->find(scalevars[i].c_str());
+      if (j < 0)
+        error->all(FLERR,fmt::format("Variable '{}' not found when updating "
+                                     "scale factors",scalevars[i]));
      vals[i] = input->variable->compute_equal(j);
    }
    for (i = 0; i < nstyles; ++i) {