diff --git a/var_mesh/gen_mesh.py b/var_mesh/gen_mesh.py index 8edbb73..ef7d88a 100644 --- 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