full list of neighbors of neighbors

Dear lammps users,

I am trying to implement my neural network potential in LAMMPS. For this I need full list of neighbors of neighbors. Can LAMMPS do this?

I appreciate for any help.

Ganga P Purja Pun

Dear lammps users,

I am trying to implement my neural network potential in LAMMPS. For this I need full list of neighbors of neighbors. Can LAMMPS do this?

what do you mean by full? and for up to what distance?

nothing stops you from walking the neighbor list twice in a nested loop. the only complication with that, that i can think of is if you need neighbors of ghost atoms, but that is something that can be added to the neighborlist request.
however most codes that do something similar only need the neighbors of neighbors for a much shorter cutoff and thus compile a so-called “short neighbor list” after each neighborlist update or at the beginning of each timestep or do this transparently, when computing pairwise additive contributions.

axel.