Missing Python API-level documentation
Description
The API documentation and even docstrings are missing for the Python application for the project.
Even some of the present docs for functions / methods are outdated (no longer match the arguments of the method) such as in the FHIaims.prepare_bandinput
docstring for example.
This falls under the Functionality documentation requirement:
Is the core functionality of the software documented to a satisfactory level (e.g., API method documentation)?
This issue is essential as part of my review for JOSS.