Modifying docs to simplify the discussion of basic chemiscope usage

[ceriottm]

• Move around some of the code section, separating more clearly the Python package and API
• Make an examples section, ideally including (links to?) the generated chemiscopes

[ceriottm]

It's not perfect, but - as the branch name says - it's "better" ^_^

[Luthaf]

This looks good overall. I'll reduce the PNG file sizes before merging, but it's not urgent.

Should we split the example into multiple pages instead of having all of them one after the other on the same page?

[rosecers]

In general looks good, left a few q's and comments throughout, but nothing super serious

[rosecers]

This PCA is very sparse -- it might be good to add some description of what's going on, especially because it's the first example.

[ceriottm]

Actually I was thinking of adding a truly basic example, load-from-ase-and-visualize as the first example. Would that be fine with you?

[ceriottm]

Added a "simple example" does it help?

[ceriottm]

This looks good overall. I'll reduce the PNG file sizes before merging, but it's not urgent.

Should we split the example into multiple pages instead of having all of them one after the other on the same page?

I'm ambivalent. I do not want to have sub-headings in the menu (that's also why I use these weird raw HTML headings, thanks ChatGPT) but it's true that this is very long. Maybe we could use a style that automatically folds and unfolds the navbar? We could also have a list of examples at the top linking to the relevant section further down.

[rosecers]

I honestly do not know how — @Luthaf?

…

On Mar 19, 2024, at 12:32 PM, Michele Ceriotti ***@***.***> wrote: @ceriottm commented on this pull request. In docs/src/manual/input.rst <#330 (comment)>: > -``chemiscope`` functions reference ----------------------------------- +If you can not or do not want to use the ``chemiscope`` python package to create Yes we can. Please do it! — Reply to this email directly, view it on GitHub <#330 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ALKVP3TGPZ5WRFEV5TEASCLYZBZCBAVCNFSM6AAAAABE32JMB6VHI2DSMVQWIX3LMV43YUDVNRWFEZLROVSXG5CSMV3GSZLXHMYTSNBWHEZTOMBVGE>. You are receiving this because your review was requested.

[ceriottm]

@rosecers forgive me - I also touched the code, but I think that this falls within the "better docs"

[ceriottm]

@Luthaf if you're happy with this (I also reduced the size of the images) can you also make a point release, so that the docs correspond to the version most users will see?

[Luthaf]

can you also make a point release, so that the docs correspond to the version most users will see?

We don't need a release for this, docs are built from main

[ceriottm]

can you also make a point release, so that the docs correspond to the version most users will see?

We don't need a release for this, docs are built from main

I meant that since most users will install from pip, it'd be nice for them to get the quick_settings() from there. Seriously, this was one of the most serious "small hassle" in using CS so hopefully it'll help.

[Luthaf]

right, I commented before seeing you added a function. I'll do a release!

[Luthaf]

Released in 0.6.1 !