diff --git a/python/lammps/mliap/pytorch.py b/python/lammps/mliap/pytorch.py index 9753c4bcd8..d699c239b0 100644 --- a/python/lammps/mliap/pytorch.py +++ b/python/lammps/mliap/pytorch.py @@ -134,9 +134,6 @@ class TorchWrapper(torch.nn.Module): descriptors = torch.from_numpy(descriptors).to(dtype=self.dtype, device=self.device).requires_grad_(True) elems = torch.from_numpy(elems).to(dtype=torch.long, device=self.device) - 1 - #print(self.model) - #print("ASDFASDF") - with torch.autograd.enable_grad(): energy_nn = self.model(descriptors, elems)