diff --git a/tests/unit_test/unit_test.py b/tests/unit_test/unit_test.py index 76dc6fd3..23e831ec 100755 --- a/tests/unit_test/unit_test.py +++ b/tests/unit_test/unit_test.py @@ -20,7 +20,7 @@ Energy = namedtuple('Energy', ['without_pseudo', 'with_pseudo']) # O p t # # ~#~#~ # -precision = 1.e-8 +precision = 1.e-7 # A test get a geo file and a basis file. # A global dict containt the result for this test @@ -372,11 +372,11 @@ def check_convert(path_out): # class ValueTest(unittest.TestCase): -# def test_hf_then_full_ci_10k_pt2_end(self): -# self.assertTrue(hf_then_10k_test(geo="methane", -# basis="sto-3g", -# mult=1, -# pseudo=False)) + def test_hf_then_full_ci_10k_pt2_end(self): + self.assertTrue(hf_then_10k_test(geo="methane", + basis="sto-3g", + mult=1, + pseudo=False)) def test_hf(self): self.assertTrue(run_hf(geo="HBO", @@ -385,20 +385,20 @@ class ValueTest(unittest.TestCase): pseudo=True)) -#class ConvertTest(unittest.TestCase): -# def test_check_convert_hf_energy(self): -# self.assertTrue(check_convert("HBO.out")) -# -# -#class InputTest(unittest.TestCase): -# -# def test_check_disk_acess(self): -# self.assertTrue(check_disk_acess(geo="methane", -# basis="un-ccemd-ref")) -# -# def test_check_mo_guess(self): -# self.assertTrue(check_mo_guess(geo="methane", -# basis="maug-cc-pVDZ")) +class ConvertTest(unittest.TestCase): + def test_check_convert_hf_energy(self): + self.assertTrue(check_convert("HBO.out")) + + +class InputTest(unittest.TestCase): + + def test_check_disk_acess(self): + self.assertTrue(check_disk_acess(geo="methane", + basis="un-ccemd-ref")) + + def test_check_mo_guess(self): + self.assertTrue(check_mo_guess(geo="methane", + basis="maug-cc-pVDZ")) if __name__ == '__main__': unittest.main()