2021-07-07 Mitchell/Wagner Check in

Molecule cookbook

• JM – Worked on it, still needs a bit more.

  • We’ll pull a random molecule from QCA for from_qcschema

  • We’ll use HCN and pretty-print the dict in the to/from_dict

OpenFF theme

• JM – Most of the previously-identified issues are resolved. Working on a few final things

• JW – Simon and I will be out next week, so we won’t be able to provide feedback before the week after next.

• JM – Made a cool local class/page index in a separate repo. It required a bit of a hack. Is this desired?

  • JW – It seems a little overwhelming to me, let’s add a request to get SB and MT’s feedback on this option when they review the new theme.

PRs

• Review #1003 (squelch stereo warnings)

  • JM – I’d looked at this, wondering if we can do a more fine-grained warning-catcher. Neither of us understands warnings well, but this doesn’t seem capable of breaking anything, so I think this is good to go. (Approved)

• Finish visualization PR

  • JM – This is still in my to-dos.

• JW – These are less important than the cookbook and theme, so there’s no time pressure. Since MT and SB have other stuff they’ve asked you to do, I’ll take care of rerouting these PRs.