Make atom_amount future proof

Otherwise we may get this warning: FutureWarning: elementwise comparison failed; returning scalar instead, but in the future will perform elementwise comparison
wangenau · Nov 5, 2020 · 87d350b · 87d350b
1 parent b5cbf6f
commit 87d350b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/var_mesh/gen_mesh.py b/var_mesh/gen_mesh.py
@@ -194,5 +194,5 @@ def atom_amount(mol):
     amount = {}
     for ia in range(mol.natm):
         symb = mol.atom_symbol(ia)
-        amount[symb] = sum(i.count(symb) for i in mol.atom)
+        amount[symb] = sum(i[0].count(symb) for i in mol.atom)
     return amount