The constant OESmirnoffType::SAGE_OPENFF now refers to the 2.2.0 version of the Sage-OpenFF force field.
OESmirnoffType::SAGE_OPENFF
The following preliminary API classes have been made permanent.
OENonBondIntcsOptions
OEComplexFF
OEComplexFFParameter
OEFF14SBParsley
OEFF14SBParsleyComplex
OEFF14SBSage
OEFF14SBSageComplex
OEFF14SBSmirnoff
OEFF14SBSmirnoffComplex
OEForceFieldParameter
OEMMFFAmberComplex
OEMMFFComplex
OESmirnoffComplex
The Get and Set methods in OEInteractParams are now exposed properly in Python.
Get
Set