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Discussion topics

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Notes

General updates

  • JW – Nothing from me!

  • JM – I’m working on bespokefit docs, will ping SB and JH for feedback soon.

    • Github link macro
      linkhttps://github.com/openforcefield/bespoke-fit/pull/85

    • JW – This looks like it’s coming together nicely. Be sure to point out which files JH and SB should look at.

    • JM – Ok. I’d wait on providing feedback until docs rendering is working. Then I’ll ping folks for review.

    • JW – Thanks for being so autonomous on this – It’s great that you’re taking the lead. The OpenFE tech lead is going to start using interchange soon and will be suing your docs.

    • JM – It’ll be really helpful to hear from the OpenFE lead on how easy/hard the docs were to use. Also, it’s really helpful to be able to start working from a blog post or example, like I had with bespokefit. I kinda want to go back and take a second pass at the interchange docs based on MT’s recent blog post.

To dos

  • (high) Bespokefit users guide (in progress)

  • (high) QCSubmit users guide

  • (medium) Spec migration PR part 2

  • (medium) ELF10 thing

  • (low) Check main website for broken links

  • (low) Conda env yamls for each release (automated inside of Toolkit’s single-file-installer action)

Action items

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Decisions