2022-05-06 Thompson/Wagner Check-in meeting notes

Vsite cherry picking PR plans

• How to proceed with coordinated changes in biopolymer-topology-refactor branch and interchange regarding vsite refactor?

  • Two issues with PR:

    • Two tests went missing, should be brought back when we reach the final state:

    • Vsite example notebook is failing

  • Decision – We’ll disable the vsite example notebook tests, merge this PR, and add blocking notes to the topology-biopolymer-refactor PR to ensure that the two tests reappear and that the vsite showcase notebook runs before the 0.11.0 release

Interchange vsite implementation requirements

• Should pass missing tests from above (tests ensure correct handling of assignment and geometry)

• Should pass dedicated regression test notebooks?

  • JW – I don’t see much in the notebook that isn’t covered by the tests in Simon’s refactor. So an implementation passing those two tests should be good to go.

(Reviewed a bunch of PRs)

smirnoff_plugins broken