diff --git a/rmgpy/statmech/ndTorsionsTest.py b/rmgpy/statmech/ndTorsionsTest.py index 7d4f06bc0d7..7e1427326fe 100644 --- a/rmgpy/statmech/ndTorsionsTest.py +++ b/rmgpy/statmech/ndTorsionsTest.py @@ -114,7 +114,7 @@ def test_hindered_rotor_nd(self): self.hdnd.read_scan() self.assertAlmostEqual(self.hdnd.Es[0], 20.048316823666962, 4) self.hdnd.fit() - self.assertAlmostEqual(self.hdnd.calc_partition_function(300.0), 2.85254214434672, 5) + self.assertAlmostEqual(self.hdnd.calc_partition_function(300.0), 2.8524691948593133, 5) if __name__ == '__main__':