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stfc / janus-core

Tools for machine learnt interatomic potentials
https://stfc.github.io/janus-core/
BSD 3-Clause "New" or "Revised" License
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Update documentation #227

Closed ElliottKasoar closed 1 month ago

ElliottKasoar commented 1 month ago

Resolves most of #6

Loosely depends on #225 for minor changes to CLI, so we should check through this once that is finalised.

alinelena commented 1 month ago

I would move in examples also as much as possible from tutorials... but for that we need to be sure we can run then (hence having our own runner for that)... there is a jupyter execute that we may want to use...

ElliottKasoar commented 1 month ago

I would move in examples also as much as possible from tutorials... but for that we need to be sure we can run then (hence having our own runner for that)... there is a jupyter execute that we may want to use...

I thought we wanted to keep them somewhat separate, particularly as we use a few additional structure files etc, which would make this repository more bloated?

I'm open to alternatives, but I thought we may just want to build very simple examples to add to the python interface section here (plus more detail about each class/parameters), but keep the longer form tutorials separate.

(Either way, I think it's maybe worth doing as a new PR)