whitespace

python/lammps/mliap/pytorch.py

@@ -18,7 +18,6 @@
 import numpy as np
 import torch
 
-
 def calc_n_params(model):
     """
     Returns the sum of two decimal numbers in binary digits.
@@ -144,7 +143,7 @@ class TorchWrapper(torch.nn.Module):
             else:
                 energy_nn = self.model(descriptors, elems).flatten()
                 energy[:] = energy_nn.detach().cpu().numpy().astype(np.float64)
-                
+
         if (use_gpu_data):
             beta_nn = torch.as_tensor(beta,dtype=self.dtype, device=device)
             beta_nn[:] = torch.autograd.grad(energy_nn.sum(), descriptors)[0]