Open jthorton opened 1 year ago
In recent versions, I'm moving it away from using LocalCoordinatesSite
except for complicated cases that are hard to work out by hand.
I need to document this when the transition is complete, but off the top of my head
BondCharge
-> TwoParticleAverageSite
ThreeParticleAverageSite
OutOfPlaneSite
TrivalentLonePair
-> OutOfPlaneSite
ThreeParticleAverageSite
LocalCoordinatesSite
but are meant to end up with OutOfPlaneSite
Depending on the chemistries being studied, this might be possible now or soon.
In order to work with interchange and the latest openff toolkits we need to update our plugins to follow the new interchange format. Local coordinate site virtual sites might be the most difficult to support.