OEFF TK 2.4.0

Fall 2021

New features

• The following new classes have been added to provide support for the OpenFF 2.0.0 Sage force field:

  • OESageParams

  • OEFF14SBSageParams

  • OESage

  • OEFF14SBSage

  • OEFF14SBSageComplex

• OEForceFieldParameter and OEComplexFFParameter now accept case-insensitive string input values.

Minor bug fixes

• A potential risk of vectors going out-of-bounds while working with OESmirnoff and related classes have been addressed.