Luthaf / rascaline

Computing representations for atomistic machine learning
https://luthaf.fr/rascaline/
BSD 3-Clause "New" or "Revised" License
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Restructure documentation #112

Closed PicoCentauri closed 1 year ago

PicoCentauri commented 1 year ago

Based on my group meeting talk I restructured the docs for an better overview for new and experienced users and developers. There is mostly no new information added.

I am open for comments and suggestions.

github-actions[bot] commented 1 year ago

The documentation for this PR is (or will soon be) available on readthedocs: https://rascaline--112.org.readthedocs.build/en/112/

Luthaf commented 1 year ago

So I have a couple of changes to suggest. For me, the side bar should look something like this:

> Getting started
    > Installation
> How To
    > SOAP calculation
    > Sample selection (TBD)
    > Feature selection (TBD)
> Reference
    > Calculators hyper-parameters reference
    > API reference
        > Python
        > Rust
        > C
        > C++
> Explanations
    > Core concepts of rascaline (might also work in "getting started")
    > What is SOAP (TBD, similar to https://lab-cosmo.github.io/librascal/SOAP.html)
> Developer documentation
    > Getting started
        > Contributing
    > How To
        > Adding a new calculator
        > Profiling calculations
    > No dev-specific reference
    > Explanations
        > Code organization
        > Python and C interfaces

Some differences from the proposed organization in this PR:

PicoCentauri commented 1 year ago

I updated the structure accordingly. There a lot of TODOs and TBD in the docs but the at least the structure should be fixed now.

PicoCentauri commented 1 year ago

I am happy for now!