diff --git a/tests/test_calculations.py b/tests/test_calculations.py index c3b3f2a..94613a0 100644 --- a/tests/test_calculations.py +++ b/tests/test_calculations.py @@ -17,7 +17,7 @@ def test_data(): # Prepare input parameters AimqbParameters = DataFactory("aimall") parameters = AimqbParameters({"naat": 2, "nproc": 2, "atlaprhocps": True}) - assert isinstance(parameters is AimqbParameters) + assert isinstance(parameters, AimqbParameters) # file = SinglefileData( # file=os.path.join(TEST_DIR, "input_files", "water_wb97xd_augccpvtz_qtaim.wfx") # )