Dear all,
I am just wondering if an AIREBO (or REBO - the other terms can be switched off) potential file for LAMMPS exists for other systems than CH. In particular, I want to describe a CF system, for example (but not necessarily) using a Tanaka paper which provides REBO (Brenner) parameters for CF. Or, alternatively, is the structure of the CH.airebo file described in detail somewhere so I can modify it on my own?
Thanks a lot,
Jiri Houska,
University of West Bohemia
Dear all,
I am just wondering if an AIREBO (or REBO - the other terms can be
switched off) potential file for LAMMPS exists for other systems than
CH. In particular, I want to describe a CF system, for example (but not
well, there is no other potential file in the LAMMPS
distribution. people are always encouraged to contribute
such files or upload them to locations where others are
able to retrieve them, but the turnaround rate is very low.
the same people that are happy to use other people's work
without much concern seem extremely reluctant to provide
their own for the same purpose. isn't that strange?
necessarily) using a Tanaka paper which provides REBO (Brenner)
parameters for CF. Or, alternatively, is the structure of the CH.airebo
file described in detail somewhere so I can modify it on my own?
there are comments in the potential file telling you which
entry is which and then you have to look at the source code
for the details of the potential.
cheers,
axel.