From 2af8842877ddf98370e23093d4ccb57a5345102f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 18 Aug 2023 06:40:51 -0400 Subject: [PATCH] whitespace --- python/lammps/mliap/pytorch.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/python/lammps/mliap/pytorch.py b/python/lammps/mliap/pytorch.py index 442494cb0c..f7c3d05c76 100644 --- a/python/lammps/mliap/pytorch.py +++ b/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]