General¶
Release 2016¶
In comparison to ADF-ReaxFF 2014, the 2016 release offers the following new functionality:
- Performance improvements for very narrow and long unit cells
- Support for the ACKS2 charge equilibration method (given a suitable force-field)
- Automated Discovery of Reaction Pathways, Rate Constants, and Reaction Networks with the Chemical Trajectory Analyzer ChemTraYzer developed by the Leonhard group at Aachen University.