comment for allowed stacks in LJ force_grad

ORNL · Nov 27, 2024 · ba5a8ce · ba5a8ce
1 parent 98d5a94
commit ba5a8ce
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/tests/test_examples.py b/tests/test_examples.py
@@ -44,6 +44,9 @@ def pytest_examples_energy(example, model_type):
     assert return_code == 0
 
 
+# NOTE the grad forces example with LennardJones requires 
+#      there to be a positional gradient via using 
+#      positions in torch operations for message-passing.
 @pytest.mark.parametrize(
     "model_type",
     [