Morelon potential buck/spline pair style

Dear all,

I have been trying to run the Morelon interatomic potential to compare it with a few other potentials, and encounter the error:

Illegal pair_style command (…/pair_buck.cpp:170).

I managed to narrow down the problem to this segment of code:

pair_style hybrid/overlay buck {Rc_out} buck/spline {Rc_out} coul/wolf 0.275 ${Rc_out}

The buck/spline pair style is not recognized, and I haven’t been able to find it anywhere in the documentation, which leads me to wonder if this pair style is found in an optional package somewhere? When I removed the buck/spline segment, the rest of the code ran fine, so I know that’s where the issue is. Any ideas or help would be appreciated.

Sean Masengale

The manual describes all features of official LAMMPS, including optional packages. If something is not there, it is not in LAMMPS. However, LAMMPS is an open-source program, so it is possible someone has developed the buck/spline pair style and hasn’t sent it to LAMMPS developers for inclusion in the official distribution.

Michal