Shyue Ping Ong

I have no objections to this really, but I would ask that you add a kwarg such as "include_kpoint_and_index=False". By default, the return will still be the same. If that...

I don't think this functionality is implemented as a method anywhere, but I am unclear whether this requires its own method at all. Thinking about it in my head, this...

I have not tested, but it seems that it should work. Delete is basically the default option where you don't even "merge" sites per se. That is why in the...

Thanks. Go ahead and submit a PR to fix this.

Hmmm... this is an odd transformation since it does not have any rules associated with it. All it does is to log that you have performed a process and this...

If we believe bader doesn't modify anything, we can do the analysis without copying to scratch. Feel free to make the modifications to pymatgen and submit a PR.

@arosen93 I just want to clarify that in pymatgen, the default is to go through the Python objects because we never know where the CHGCAR can come from. For example,...

Sure. By all means propose an implementation.

I do not have a super strong opinion. The only thing is that unittest is included as part of python and I don't find a big problem with it. Pytest...

I understand that. But dropping it from 100+ test files would take even more work. We already did a unittest -> nosetests -> pytest switch. I do not know what...