Hello all,
I am trying to use the reaxff force field available in lammps for modeling chemical reaction of hydrocarbon gases. According to the paper by Chenoweth, van Duin & Goddard (J. Phys. Chem. A 2008) the reaxff force field was expanded to do such a thing. However, my concern and question is that the force field provided with lammps is not the “expanded” version documented in their 2008 paper? Can anyone verify this for me? Thanks,
Patrick