[lammps-users] neighboor list jlist

Dear all,

When I looked into the code for pair_lj_cut, there is one thing confused for me:


jlist is not just atom indices.

j is not always less than nall.

This code snippet that you’ve posted below is what LAMMPS uses to scale back or turn off LJ and/or coulombic interactions between bonded and nearby connected atoms.

Has nothing to do with periodic boundary conditions.