[naik-aakash]

Hi @JaGeo ,

I have now added the CohpAndDosComponent to this branch. Currently, one can switch between bonding analysis type interactively and corresponding plot, text descriptions and environments identified are updated automatically.

Features added

• Get relevant bonds interactive cohp plots alongside dos from Lobstery by means of LobsterPy and existing dos plotter in crystaltoolkit
• Include Bonding analysis summary and calculation quality texts
• Include visualization of LobsterEnv identified environments
• Hovering over atoms shows Mulliken charges and edges show the ICOHP values in the visualizer

Todos

• Exception handling when cation-anion analysis fails
• Vasprun.xml file seems to have issues with serialization via plotly so think over what suits the best (change in LobsterPy or pymatgen) - Have included temporary workaround for it in example script here.
• Icohpcollection object also has serialization issues and currently a fix is a WIP via this Add custom as_dict/from_dict method for proper initialization of attributes of IcohpCollection materialsproject/pymatgen#4391

[naik-aakash]

Attaching a screenshot of the rendered app for reference

Looking forward to hear your thoughts on it