be paranoid about invalid molecule templates

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