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Raimondas Galvelis
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Fix the test
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tests/test_optimize.py

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@@ -51,4 +51,4 @@ def test_gn(device, num_atoms):
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energy, gradient = model(elements, positions)
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assert pt.allclose(ref_energy, energy, atol=5e-7)
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assert pt.allclose(ref_gradient, gradient, atol=5e-6)
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assert pt.allclose(ref_gradient, gradient, atol=1e-5)

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