Hi,
In the airebo code, the total energy is composed of three terms:
- Brenner rebo pair energy
- LJ potential energy
- tosional energy
as listed in this link: http://lammps.sandia.gov/doc/pair_airebo.html#Brenner
However, in the Brenner (2002) paper, the torsional term has been added. So, if both rebo and torsion terms are turned on, is the torsional energy calculated twice? Thanks.
Jiuning Hu