Skip to content

Commit

Permalink
Fixed typo in test function
Browse files Browse the repository at this point in the history
  • Loading branch information
EnricoTrizio committed May 8, 2024
1 parent aee5c97 commit f23ab1e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mlcolvar/core/transform/descriptors/torsional_angle.py
Original file line number Diff line number Diff line change
Expand Up @@ -143,7 +143,7 @@ def test_torsional_angle():
pos.requires_grad = True

cell = torch.Tensor([3.0233, 3.0233, 3.0233])
model = TorsionalAngle(indices=[1,3,4,6], n_atoms=10, mode=['angle', 'sin', 'cos'], PBC=False, cell=cell, scaled_coord=False)
model = TorsionalAngle(indices=[1,3,4,6], n_atoms=10, mode=['angle', 'sin', 'cos'], PBC=False, cell=cell, scaled_coords=False)
angle = model(pos)
print(angle)
angle.sum().backward()
Expand Down

0 comments on commit f23ab1e

Please sign in to comment.