ReaxFF file reader
For loading interatomic bonds and their properties from text files written by the LAMMPS fix reaxff/bonds command or the original standalone ReaxFF code of Adri van Duin.
This file reader is typically used in conjunction with a Load trajectory modifier to add a varying list of bonds from a reactive MD simulation to a particle model.
In addition to the time-dependent bond connectivity, the ReaxFF reader loads the particle properties
Atom Bond Order, and
Lone Pairs from the selected file and attaches them to the existing atomic model.
Furthermore, the property
Bond Order is assigned to the bonds as a new bond attribute.
This reader can load gzipped ReaxFF files (“.gz” suffix).