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MatthewRHermessunqm
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Loosen too-tight lpdft grad rohf san test tol
I think it was a typo because all the other rohf grad san tests had 6 already
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pyscf/grad/test/test_grad_lpdft.py

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@@ -284,7 +284,7 @@ def test_rohf_sanity (self):
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de = mc_grad.kernel(state=i)[1, 0]
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self.assertAlmostEqual(de, NUM_REF[i], 4)
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de_ref = mc_grad_ref.kernel(state=i)[1, 0]
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self.assertAlmostEqual (de, de_ref, 8)
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self.assertAlmostEqual (de, de_ref, 6)
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def test_dfrohf_sanity (self):
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n_states = 3

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