diff --git a/torch_sim/models/orb.py b/torch_sim/models/orb.py index acc6f4a1..74364386 100644 --- a/torch_sim/models/orb.py +++ b/torch_sim/models/orb.py @@ -416,7 +416,7 @@ def forward(self, state: ts.SimState | StateDict) -> dict[str, torch.Tensor]: if not model_has_direct_heads and prop == "stress": continue _property = "energy" if prop == "free_energy" else prop - results[prop] = predictions[_property].squeeze() + results[prop] = predictions[_property] if self.conservative: results["forces"] = results[self.model.grad_forces_name]