From 4e152e115a15e7fa881d543bfbfe615fe104b068 Mon Sep 17 00:00:00 2001 From: Fraser-Birks Date: Mon, 17 Jul 2023 12:25:00 +0100 Subject: [PATCH] TST: Loosened tolerances to allow for numerical errors in testing --- tests/test_cauchy_born_corrector.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/test_cauchy_born_corrector.py b/tests/test_cauchy_born_corrector.py index 5e07bde4..36323a70 100644 --- a/tests/test_cauchy_born_corrector.py +++ b/tests/test_cauchy_born_corrector.py @@ -52,8 +52,8 @@ def test_fit_taylor_model(self): [2.03958794e-01,9.12311493e-01,9.12311465e-01,0.00000000e+00,0.00000000e+00,0.00000000e+00], [0.00000000e+00,-5.55111512e-09,0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00], [1.11022302e-08,0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00]]) - assert np.allclose(self.cb.grad_f,grad_f,atol=1e-8) - assert np.allclose(self.cb.hess_f,hess_f,atol=1e-8) + assert np.allclose(self.cb.grad_f,grad_f,atol=1e-6) + assert np.allclose(self.cb.hess_f,hess_f,atol=1e-6) def E_cart3D(self,x,y,z,eps=None): E = np.zeros([len(x),3,3])