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be paranoid about invalid molecule templates

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Axel Kohlmeyer
2025-06-27 22:47:50 -04:00
parent 6b58058bca
commit c279d194dc
1 changed files with 2 additions and 0 deletions
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2
src/GRANULAR/fix_pour.cpp
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@ -501,6 +501,8 @@ void FixPour::pre_exchange()
imol = 0; imol = 0;
while (rng > molfrac[imol]) imol++; while (rng > molfrac[imol]) imol++;
natom = onemols[imol]->natoms; natom = onemols[imol]->natoms;
if (natom <= 0)
error->all(FLERR, "Invalid number of atoms ({}) in molecule {}", natom, onemols[imol]->id);
if (dimension == 3) { if (dimension == 3) {
r[0] = random->uniform() - 0.5; r[0] = random->uniform() - 0.5;
r[1] = random->uniform() - 0.5; r[1] = random->uniform() - 0.5;