2022-12-14 Thompson/Wagner Check-in meeting notes

General updates

• JW – Thanks a million for FB release support, BespokeFit release, other ecosystem updates.

• JW – Fridays off sound good.

• MT – Should I keep the foyer interface alive? There hasn’t been movement on it for a year.

  • JW – Yes - This is a promising avenue of funding/grant applications for next year.

  • MT – Ok, I don’t think there’s any functionality that foyer has that’s better than ours. mBuild might be useful moving forward, though it wouldn’t handle stuff like the xtal simulation question we just got.

  • JW – I’d be happy to talk about this more next week. But the answer is that we should keep the mbuild/foyer interface alive while we do grant planning for 2023.

  • MT – I’d love to be involved in project planning there.

  • JW – Absolutely, I’ll loop you in.

• MT – YANK maintenance

  • JW – Talked to JC. He said his lab will try to get it up to date by Jan 21. Talked to DM and LW, they said that Perses can do what we need, and that will likely be production-ready in early 2023. So LW will lead the charge on that, and anticipate incorporating it into our workflows around june 2023.

• MT – Forcebalance next steps - Do you want to take over?

  • JW – I’ll take over FB updates for evaluator. Then I’ll have a better understanding of how hard the recharge updates will be.

  • MT – Important to note that recharge update will be hard, and it will be easier to implement it once some upcoming changes to Interchange are rolled out.

Trello update

Pair programming something