Writing tutorials

The tutorials are written as jupyter notebook in the markdown format. The VASP calculations mocked using mock-vasp which is shipped with this package.

To write a new tutorial, one can first draft it in a jupyter notebook and then convert it to markdown format using the jupytext package:

jupytext my_tutorial.ipynb --to md

This will create a new file my_tutorial.md which can be edited in a text editor.

To include the mocked calculation in the tutorial (to run on machines without access to VASP) set the MOCK_VASP_VASP_CMD to the command to run the VASP executable during the execution of the notebook (e.g. make html for building the documentation).

Timing for the notebook execution

Document	Modified	Method	Run Time (s)	Status
concepts/parsing	2025-09-13 06:23	auto	2.05	✅
tutorials/silicon_band_dos	2025-09-13 06:23	auto	11.88	✅
tutorials/silicon_relax	2025-09-13 06:23	auto	15.3	✅
tutorials/silicon_sp	2025-09-13 06:23	auto	6.43	✅
workflows/bundled	2025-09-13 06:23	auto	1.88	✅
workflows/design_principles	2025-09-13 06:23	auto	3.35	✅