[lammps-users] Why the atoms do not move?

Thanks. Yes, I did create velocity for all atoms before I expect them to move. But they do not.

2009/6/9 Tuomo Hyvönen <[email protected]…24…>

How about your timestep size? If it is too small, you won’t get much motion.

Then verify that the velocities and forces on each particle are sensible — you can dump them to a file or print them to the screen to see what they are. Then you can compute what the displacement should be by using dx = vdt + 0.5f*dt^2. Verify that LAMMPS is doing what your calculations say it should do.

Paul

2009/6/9 Mail List <[email protected]…24…>