[lammps-users] Modifying LJ potential

The interaction between the particles would be simple LJ potential with cut off of 2.5. In that case I think I should only modify the “pair_lj_cut.cpp”. As you see in the above expression there is an extra coefficient which I would like to introduce. I am looking for “pair_coeff.cpp/h” file in src directory to do this but I can’t find it.



There’s no pair_coeff.cpp because the pair_coeff passes the coefficients to the respective pair potentials. The only file you’d need to modify would be pair_lj_cut.cpp.


2008/11/25 dhondi srikanth <[email protected]…24…>