[lammps-users] applying potential according to neighbor list

Dear Steve and LAMMPS users,

I ask your advices for the following matter:

We have two potentials, say P1 and P2, and two atoms A and B.

We want to assign each potential according to individual atom’s neighbor list:

If one’s neighbor list has a marker atom A, then apply P1. Otherwise apply P2.

That’s all. The rule is very simple.

I want to implement this through LAMMPS. I think if I edit some part of the source code or add some modules, it would be obtained.

I would be very thankful if you provide some guidelines for it.

Best regards,

Minwoong Joe

I still don't understand. Say atoms A and B are
of 2 different types. There are then 3 kinds of
interactions: A-A, B-B, and A-B, B-A is the same
as A-B. So what potential do you want for which
of the 3, and doesn't pair_style hybrid do what you


The neighbor class in LAMMPS computes neigh lists. It is invoked
by the Verlet timestepper.