Skip to content

Issue on page /tutorial/tutorial.html #396

@BAjiao-A86

Description

@BAjiao-A86

Hi LobsterPy team,

I'm currently working on COHP analysis and visualization using LobsterPy, especially the orbital-resolved COHPs generated via:

fig = describe.plot_interactive_cohps(orbital_resolved=True, hide=True)
However, I would like to extract the underlying data (energies, summed COHPs, orbital-resolved COHP curves) from the same source used to generate this interactive figure, so that I can:

  • reproduce these plots using custom plot settings (e.g., colors, sizes)
  • extract numerical values for further analysis
  • save the orbital-wise COHPs as .csv or .txt

I’ve tried the following approaches:

  • describe.get_plot_data() → AttributeError
  • analyse.get_plot_data() → also does not exist

I attempted to manually extract data from Cohpcar.lobster, but the structure does not exactly match what is visualized by LobsterPy.

So my question/request is:

❓Could you consider adding a method like get_plot_data() or exposing the underlying data structure that plot_interactive_cohps() uses internally?
Alternatively, do you have a recommended method to extract the raw data used for generating these plots?

Many thanks for developing such a powerful tool!

Best,

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions