diff --git a/rmgpy/statmech/torsionTest.py b/rmgpy/statmech/torsionTest.py index 31d180c6fc1..b0a2a822cfd 100644 --- a/rmgpy/statmech/torsionTest.py +++ b/rmgpy/statmech/torsionTest.py @@ -289,7 +289,7 @@ def test_get_enthalpy_quantum_fourier(self): h_exp_list = np.array([0.548251, 0.728974, 0.762396, 0.718702, 0.681764]) * constants.R * t_list for temperature, h_exp in zip(t_list, h_exp_list): h_act = self.mode.get_enthalpy(temperature) - self.assertAlmostEqual(h_exp, h_act, delta=1e-3 * h_exp) + self.assertAlmostEqual(h_exp, h_act, delta=2e-3 * h_exp) def test_get_entropy_free(self): t_list = np.array([300, 500, 1000, 1500, 2000])