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Update test_results.py
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SiebeLeDe authored Sep 15, 2023
1 parent 050890f commit 16a5560
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Original file line number Diff line number Diff line change
Expand Up @@ -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'

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