We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 9e64a38 commit e6fedebCopy full SHA for e6fedeb
tests/test_optimize.py
@@ -51,4 +51,4 @@ def test_gn(device, num_atoms):
51
energy, gradient = model(elements, positions)
52
53
assert pt.allclose(ref_energy, energy, atol=5e-7)
54
- assert pt.allclose(ref_gradient, gradient, atol=5e-6)
+ assert pt.allclose(ref_gradient, gradient, atol=1e-5)
0 commit comments