Documentation on AseMaker

[JaGeo]

I was wondering if we should add a more complex AseMaker example, e.g. for another DFT code, to our documentation.

@esoteric-ephemera do you by chance already have such an example

[esoteric-ephemera]

I don't right now, but I'd be happy to put together one for Quantum Espresso!

[JaGeo]

I would like to add that the inheritance we are currently using as part of the ASEMaker is quite complex. I even have trouble now quickly finding where to implement specific changes.

[esoteric-ephemera]

Anything in particular that I can try to clarify?

[JaGeo]

I think it would be important that one quickly finds:

• where to add a new ml model
• where data is processed from ase to the document model and where unit conversions are happening

I am not sure how to clarify this in the best way. Due to the multiple layers of document models for forcefields and ase, it takes a bit of time to find this.