search

ACEsuit / ACEpotentials.jl

Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
MIT License
49 stars 13 forks source link

various important docs issues #47

Closed WillBaldwin0 closed 2 years ago

WillBaldwin0 commented 2 years ago

there are some important tings which need to be fixed in the docs:

  1. For some reason the text I the one-liner hasn't updated on the website. It still says JulIP rather than JuLIP even though I think we've fixed that. I presume this will go away when we push another change to the installation file?
  2. We haven't got a page telling people how to read potentials in ase. I think it got lost when we rearranged everything
  3. the tutorials section is still a little confused - there are many tutorials and the LAMMPS export file is mixed in there as well. Could we rearrange this?
cortner commented 2 years ago

1 - please make a PR.

3 - I don't really see the problem with this; see the overview page. What would you like to have done differentlyu?

2 - the tutorials should have another section just like the LAMMPs tutorial

WillBaldwin0 commented 2 years ago

I will make a PR for 1 and 2. Also I realised that the landing page is missing key stuff so I'll add that.

With respect to 2, we have two different Julia versions of the tutorial. Are you keen to keep both of them?

cortner commented 2 years ago

You mean one for controlling ACE1 directly, the other via ACE1pack? We talked with Elena about this and I think she prefers to keep the ACE1pack version. And I definitely need to keep the "pure" ACE1 version.

gelzinyte commented 2 years ago

I think Will meant that there are two in-Julia/ACE1 examples (without ACE1pack) in the docs currently. I think the most useful tutorials to keep would be command-line/JSON/ACE1pack and one of in-Julia/ACE1 (without ACE1pack).

cortner commented 2 years ago

I don't see a problem with that either - we make as many our as few as we like. Different tutorials have different use cases.

cortner commented 2 years ago

Just to follow-up on this, if you want more JSON-style tutorials, just bring them in. If you want to convert one of the ACE1-style tutorials into an ACEpack or JSON tutorial, that's all fine for me.

WillBaldwin0 commented 2 years ago

closing this issue after #50