[lammps-users] lammps-users Digest, Vol 24, Issue 41

Dear Lammps users,

Is there any way of putting 3-body potential along with the DPD?
I had tried doing that, by making a separate function in the pair_dpd.cpp file.
Here I was not taking any neighbor list, rather I was just taking particles from their ID
and I was applying 3body potential as (1-r12.r23/|r12||r23|). As long as I was doing serial
programming, things were correct. But when I tried to parallelize it by giving processors 2 1 1,
I think particles are not able to communicate with each other, and I am getting some weird result.
What do you suggest?


You would need to do 3-body potentials like the
others that already exist in LAMMPS - e.g. sw or tersoff

You can also use pair_hybrid to superpose potentials,
e.g. a 3-body + DPD.