about 1st REBO

Hi lammps-users,

I’d like to use the 1st REBO potential published on PHYSICAL REVIEW B, 42, 1990 to do some simulation, but I didn’t find this potential in LAMMPS. How should I do if I want to use this potential with LAMMPS? Any help would be appreciated.

Best Regards,
Ding Jia

yes, the REBO in LAMMPS is the 2nd generation REBO.

If you want the 1st generation, you would have to code it
up, probably using the 2nd gen as a starting point. If you
do this, we'd be happy to include it in LAMMPS.

Steve