2021_10_06 Mitchell/Wagner check in

General updates

• JM – Mostly working on OpenMM last week

• JW – Will need cancel out check-in in two weeks (I’ll remove that from calendar now)

• JW – Please start doing check-ins twice a week on the channel that I just invited you to - Trying to get a sense for how everything is flowing in OpenFF/who all is working on what.

Next up

• Interchange dev docs

  • JW – MT just added a kinda beefy start yesterday, I’ve asked him to put in more “skeletal” stuff that you could fill in, and to get your thoughts on splitting between a user guide vs. dev guide vs. other (or none of the above). Also feedback on the process in general, what iterations could look like, etc.

  • JW – Please iterate with him at least once on this in the next week – There’s good momentum here so it will be advantageous to carry it forward.

• QCSubmit/Bespokefit user guide – Contact Simon when it’s convenient in the next two weeks.

  • JM – Should I contact JHorton or SBoothroyd about this?

  • JW – JHorton originally made most of both packages, but he should be writing papers now, so SB is co-developing it with him, and we’re trying to have the core OpenFF team take over the more routine parts of production-izing the software.