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@j-wags j-wags released this Oct 12, 2019 · 1 commit to master since this release

The new force field files in this release are adapted from result.offxml in release_1.0.0_RC2.tar.gz from the Assets of OpenFF "parsley" 1.0.0-RC2: Fitting Valence with QM Data

A blog post summarizing the benchmarking of this FF will be published in the near future at https://openforcefield.org/news/

Assets 2
Pre-release

@j-wags j-wags released this Oct 4, 2019 · 11 commits to master since this release

Adds OpenFF-1.0.0 Release Candidate 2. This is taken from the QM-only refit performed in https://github.com/lpwgroup/forcebalance-qcarchive/releases/tag/v0.0.9. The new files, openff-1.0.0-RC2.offxml and openff_unconstrained-1.0.0-RC2.offxml, are copies of result.offxml in that release tarball, with tabs converted to spaces, author and date fields filled, and cosmetic attributes removed. The constraints in openff-1.0.0-RC2.offxml are copied from release candidate 1.

Assets 2
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