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It appears the dimension from out_data and SINGLE_JOB_DICT mismatch, with the former having one extra dimension for some reason (i.e. [[a, b, c], ] vs [a, b, c]).
The text was updated successfully, but these errors were encountered:
Singled out from #3985 for visibility.
The following unit test for
io.qchem.outputs
is failing, need help:pymatgen/tests/io/qchem/test_outputs.py
Lines 304 to 316 in 3fee7d5
It appears the dimension from
out_data
andSINGLE_JOB_DICT
mismatch, with the former having one extra dimension for some reason (i.e.[[a, b, c], ]
vs[a, b, c]
).The text was updated successfully, but these errors were encountered: