diff --git a/test/test_results.py b/test/test_results.py index d74c6543..4f375ab3 100644 --- a/test/test_results.py +++ b/test/test_results.py @@ -15,6 +15,7 @@ def test_dft_engine() -> None: def test_LOT() -> None: + # LOT = level of theory res = results.read(j('test', 'fixtures', 'DFT_EDA')) assert res.level.summary == 'OLYP/TZ2P'