Version 1.1.1 "Parsley"

This bugfix release contains following changes: (1) Addition of monatomic ion LibraryCharges.

Version 1.0.1 "Parsley"

This bugfix release contains following changes: (1) Addition of monatomic ion LibraryCharges.

Version 1.1.0 "Parsley" Update

The new force field files in this release are adapted from result.offxml in the Assets of Version 1.1.0 "Parsley". A detailed description of the updates in this version are available at that link.

Version 1.0.0 "Parsley"

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/

OpenFF-1.0.0 Release Candidate 2

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.