diff --git a/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py b/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py index 8d86e112c..e4f2abfde 100644 --- a/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py +++ b/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py @@ -238,7 +238,7 @@ def calculate( atoms: ase.Atoms, properties: List[str], system_changes: List[str], - ) -> Dict[str, np.ndarray]: + ) -> None: """ Compute some ``properties`` with this calculator, and return them in the format expected by ASE.