Richard Tran

The interactive periodic heatmap was just something I have heard about previously in some of the MP meetings. I just thought it might be nifty to have an interactive version...

I definitely agree there should be a common plot containner for all plotting devices on pymatgen instead of just a pyplot object. This not only allows users to go back...

I'm fine with closing it. It sounds like this is going to be an ongoing effort in the long run anyways, and besides, the installation of plotly in the requirements.txt...

Will do, but ultimately I want to combine it with the surface energy wf, reconstruction wf, and cohesive energy wf so they can run in conjunction.

I'm still working on integrating all the surface property related workflows into Atomate on my own branch. I'll push forward to get a pull request of a working version of...

Currently since reconstructions are rather difficult to guess a priori without experimental input, the ReconstructionGenerator on surface.py just takes in a conventional unit cell and determines the spacegroup of the...

I apologize for not having an update on this work sooner. I haven't spent too much time on the ReconstructionGenerator from pymatgen lately so I wasn't ready to incorporate it...

Actually because the get_wfs_all_slabs() in adsorption.py already uses generate_all_slabs(), users should be able to run reconstructed slabs already. In the slab_gen_params, one can set the parameter "include_reconstructions" to True. This...

I did change the oriented_unit_cell attribute of the slab object recently, this was to ensure that the oriented unit cell reflects the slab units of the primitive slab cell if...

> This is a great idea that I'd love to see implemented. > […](#) > On Mon, Dec 18, 2023, 6:34 PM Richard Tran ***@***.***> wrote: Problem At the moment,...