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

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Axel Kohlmeyer
2021-04-13 14:59:37 -04:00
parent 9dbdb4386b
commit 8aed7e55b3
1 changed files with 3 additions and 0 deletions
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src/pair_hybrid_scaled.cpp
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@ -396,6 +396,9 @@ double PairHybridScaled::single(int i, int j, int itype, int jtype, double rsq,
double *vals = new double[nvars]; double *vals = new double[nvars];
for (i = 0; i < nvars; ++i) { for (i = 0; i < nvars; ++i) {
j = input->variable->find(scalevars[i].c_str()); 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); vals[i] = input->variable->compute_equal(j);
} }
for (i = 0; i < nstyles; ++i) { for (i = 0; i < nstyles; ++i) {