Short script for computing charge density difference

[Sudo-Raheel]

Summary

Major changes:

• feature 1: ...
• fix 1: ...

Todos

If this is work in progress, what else needs to be done?

• feature 2: ...
• fix 2:

Checklist

• Google format doc strings added. Check with ruff.
• Type annotations included. Check with mypy.
• Tests added for new features/fixes.
• If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

[Sudo-Raheel]

I havent uploaded the CHGCAR files since these are very big ...should i create a new folder in CHGCAR_data inside the notebook directory

[shyuep]

Yes pls put in the CHGCAR. you can just use a small example chgcar for demonstration. Maybe something with a very coarse resolution.

[shyuep]

There is a failing tests about a scipy import for your notebook. Pls fix. You can ignore the rest of the error messages.

[Sudo-Raheel]

Hi... Is there still some issue ?

[shyuep]

Thanks.