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libAtoms / matscipy

Materials science with Python at the atomic-scale
http://libatoms.github.io/matscipy/
GNU Lesser General Public License v2.1
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Collected documentation edits & fixes #141

Closed prs513rosewood closed 1 year ago

prs513rosewood commented 1 year ago

I propose to edit/add documentation on this pull request. I've made a split into "API Reference" for autodoc-generated submodule API documentation, and top-level "user guides" for the parts of matscipy that might need tutorials (similar to how ASE does things in its own documentation). Feel free to edit and discuss changes.

Important note The meson build broke the generation of documentation directly from the source because the _version.py module is now automatically generated by meson, so matscipy must first be installed with pip before documentation is generated. A reinstall is also required on source edits. I have not made changes to the CI to fix this problem, but I plan on fixing that in this PR.

pgrigorev commented 1 year ago

Hi @prs513rosewood, thank you very much for setting this up. It turned out we were participating in the same section of CNRS concours and you got a bit less lucky than I did. I think this is a great result and if I understand the system correctly, there is still a chance you will get the job. In case you decide to again next year I wish you best of luck. I could not find your email on your page, thus decided to write it here.

pgrigorev commented 1 year ago

Since we do not have anything yes in the general documentation, maybe we could think about a standard template that we could follow for every section to keep things more consistent. @jameskermode has a very impressive example of a fracture tutorial in QUIP documentation. Perhaps we can start with something a bit less sophisticated for the beginning :)

jameskermode commented 1 year ago

Good idea. Probably my fracture one doesn’t run any more, something simpler would be good.