Closed cwognum closed 11 months ago
This is no longer applicable in v0.50, which doesn't use pandas or 'history' internally anymore. Although the interface has changed quite a bit.
See the new (always in-progress) docs: https://molssi.github.io/QCFractal
Describe the bug In the most recent release (
v0.15.8.1
), trying to useget_values()
on a Dataset collection (qcfractal.interface.collections.Dataset
) fails due to an index or columns being a set. These are some examples I found:In other places, it currently throws a
FutureWarning
due to indexing (i.e.df.loc[...]
) with a set:To Reproduce Follow the tutorial in the docs: here.
Expected behavior No error to be thrown, but rather that a DataFrame is returned successfully.
Additional context Related issue: https://github.com/MolSSI/QCFractal/issues/591