Closed justinGilmer closed 3 years ago
Do we also want a CHANGLOG.md
for Trappe XML
Merging #452 (0aa062b) into master (78dbdaf) will not change coverage. The diff coverage is
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We absolutely do, I forgot about that. Will add that in a second.
PR Summary:
After the addition of the
combining_rule
forcefield XML metadata, we added thegeometric
mixing rule to oplsaa.xml, but neglected to include that information for our TraPPE xml.This includes the
Lorentz-Berethlot
mixing rule as metadata as well as bumping the version number for the trappe-ua.xml file.A minor spelling mistake was also fixed.
PR Checklist