Cli updates

[naik-aakash]

Closes #344 and #328

Note: Failing tests in CI are due to the pymatgen depreciation of some methods and have nothing to do with LobsterPy / pymatgen LOBSTER parsers/changes in this PR.

Todo

• coloured icoxx distance plots via CLI
• add option to get BWDF plots
• Update cli docs and tutorials to showcase BWDF / ICOXX distance plotting
• Option to save raw plot data of relevant (I)COXX as jsons

[JaGeo]

Can we fix the LobsterPy tests here first and then add new functionalities? @naik-aakash

[naik-aakash]

Hi @JaGeo , as I have written in the note, it has nothing to do with LobsterPy tests. We have to wait for new release of pymatgen where deprecated method is removed causing failures due to monty warnings

See here : materialsproject/pymatgen#4243

[JaGeo]

@naik-aakash thank you 😅. I also wrote something in the pymatgen PR

[naik-aakash]

Hi @kaueltzen, I have now addressed the review comments. Let me know if anything else needs to be addressed.

[kaueltzen]

Looks good! just some small suggestions

[kaueltzen]

@JaGeo am done, this is ready to be merged imo (: 👍

[JaGeo]

Could be something for pymatgen in the future once BWDF in Lobster are more established

[JaGeo]

@naik-aakash and @kaueltzen thank you both!

Let me know if a new version is required!