diff --git a/python/metatensor-torch/metatensor/torch/atomistic/openmm_force.py b/python/metatensor-torch/metatensor/torch/atomistic/openmm_force.py index 802d96739..977289db7 100644 --- a/python/metatensor-torch/metatensor/torch/atomistic/openmm_force.py +++ b/python/metatensor-torch/metatensor/torch/atomistic/openmm_force.py @@ -68,6 +68,9 @@ def get_metatensor_force( model = load_atomistic_model(path, extensions_directory=extensions_directory) + # Print the model's metadata + print(model.metadata().print()) + # Get the atomic numbers of the ML region. all_atoms = list(topology.atoms()) atomic_types = [atom.element.atomic_number for atom in all_atoms] diff --git a/python/metatensor-torch/tests/atomistic/openmm_force.py b/python/metatensor-torch/tests/atomistic/openmm_force.py index 2376380d8..27ce46a2f 100644 --- a/python/metatensor-torch/tests/atomistic/openmm_force.py +++ b/python/metatensor-torch/tests/atomistic/openmm_force.py @@ -102,8 +102,6 @@ def _check_against_ase(tmpdir, atoms): atoms.set_calculator(calculator) ase_forces = atoms.get_forces() - print(openmm_forces) - print(ase_forces) assert np.allclose(openmm_forces, ase_forces)