From 03ddc969b7a4705992ce6db88f8d352cc9b423c1 Mon Sep 17 00:00:00 2001 From: Filippo Bigi <98903385+frostedoyster@users.noreply.github.com> Date: Fri, 5 Jul 2024 10:49:19 +0200 Subject: [PATCH] Correct wrong return type hint in ASE calculator --- .../metatensor/torch/atomistic/ase_calculator.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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.