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openforcefield / standards

A repository of the standards employed across the Open Force Field Consortium.
https://openforcefield.github.io/standards
MIT License
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OFF-EP 0008 — Periodicity-dependent vdW methods and "no-cutoff" option #53

Closed mattwthompson closed 11 months ago

mattwthompson commented 11 months ago

Resolves #51 #7

j-wags commented 11 months ago

Could this be updated to explicitly say that PME is an allowed periodic_method value? People are already talking about a LJPME FF refit so it'd be good to have that explicitly stated so we can implement support.

mattwthompson commented 11 months ago

I'd prefer that be a separate proposal; I haven't thought through exactly what it would mean to support LJPME (#11 #50 #15 #18 https://github.com/openforcefield/openff-toolkit/issues/989) and I worry doing it wrong the first time would be worse than not doing it at all. I think it warrants more care than tacking it on the end of this proposal.

mattwthompson commented 11 months ago

Thanks all for the prompt feedback! IIUC these are four approvals from the four committee members, and approvals on GitHub bypass the need for a meeting per se.