Matt McDermott

Results 36 comments of Matt McDermott

> Sometimes I want to plot a phase diagram and highlight points that are not on the convex hull. It would be nice to be able to give a list...

Another (late) update on this: I am working on finishing an overhaul of phase diagram plotting (using Plotly) and will be making a WIP pull request in the upcoming days!

@jdagdelen I'm not sure we ever truly overhauled plotting in pymatgen, but I think we're getting there slowly? Not sure I can say whether this issue should be closed or...

@mkhorton the PhonopyQHA interface is just for the API -- it has always just created a QHA object actually

It hasn't been removed though?

Haha it's alright, I thought the same thing. This is where it is defined FYI: https://github.com/atztogo/phonopy/blob/b7cff9090ae17be41b209f6b89a6f49cd83c36ab/phonopy/api_qha.py#L38

Hi @ehomer, sorry for the late reply. I think this bug has *not* been fixed actually -- I don't see any commits to the code since 2017. I ran the...

Thanks @jmmshn for addressing this!!

@CompRhys FYI, I finally added this feature in https://github.com/materialsproject/pymatgen/pull/3032.

I just updated `PDPlotter` in https://github.com/materialsproject/pymatgen/pull/3032 but this is still not addressed. I don't feel particularly good about touching some of the matplotlib code, so if anyone is interested in...