[lammps-users] pair_modify shift


When I do simulation, there are two type paritcles A, B. The interactions are described by a classic 6-12 LJ potential, where the potential is cut at a radius 2.5 and unshifted for A-A, B-B ,but cut at 2^1/6 for A-B and shifted .

Question is if I use pair_modify shift command, Whether the two type cutoff is both shifted. How can I do if one is shifted but one not.

You can't do this. Shift applies to all or none. But it's
just an energy offset, doesn't affect the dynamics.