Tutorials for QHA and Grüneisen workflows

[JaGeo]

Summary

• Include tutorials for qha
• include tutorial for grüneisen parameter
• fix potential omissions in the qha schema
• finish my fight with the linting (our hard drive looses all file permissions which makes the pre-commit really messy...)

[JaGeo]

Note here: i had to exclude one file from ruff as ruff-format would do the exact opposite.

[janosh]

always good to see more docs and tutorials! 👍

curious though, is it really necessary to commit ~400 test files alongside these tutorials? seems like this could bloat the repo over time

[JaGeo]

@janosh, I agree with you that this might be a large number, but otherwise, people cannot test the workflows with realistic data.

[JaGeo]

I think i had a look at the data size: it was not more than 4 MB

[JaGeo]

@janosh To add further, i think this is currently one of our most complex workflows. We can, unfortunately, not run it with most of the forcefields as the accuracy is not good enough yet. I might be able to reduce the number of points along the ev curve a bit to get still a good fit but that would mean running yet another workflow just for test data. Not sure it is worth the effort in this one case.

Btw, we now have: https://materialsproject.github.io/atomate2/tutorials/tutorials.html