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JaGeo avatar JaGeo commented on June 12, 2024 1

I think we should avoid conde repetition. I am not really sure if we need to restructure that much? How about adding "is_cobi", "is_coop" as a flag and then see how this works out?

For the graphs, the fix might include some more if clauses but should also be doable.

With regard to priorities: I think this is something we could do before we submit a paper on lobsterpy itself. I think I will also extend the time frame for this submission (mid 2023)

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naik-aakash avatar naik-aakash commented on June 12, 2024
  • Made first changes in pymatgen for this functionality.

Query

  • Do we add modules for seperate analysis or just extend the cohp module to handle cobi/coop ?

Extending modules will avoid code repetition as major chunk of code will still be same. Then we would probably need to restructure or rename modules. Let me know your thoughts.

No urgency to respond quickly. Have other things to work on till then 😃

Todo

  • Add modules corresponding to coop/cobi analysis and description

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