Commit 799d55bf authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Removed some reoccurring components, fixed issues with empty MD information.

parent ccb9a878
......@@ -339,8 +339,8 @@ class TestDFTGaussianGeoOpt(unittest.TestCase):
]),
"hartree/bohr"
)
self.assertEqual(len(result), 4)
self.assertTrue(np.array_equal(result[-1, :, :], expected_end))
self.assertEqual(len(result), 4)
def test_energy_total(self):
result = self.results["energy_total"]
......
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