2008/8/29 이순근 <[email protected]…784…>
I wonder how the velocity of atom is calculated in LAMMPS?
I tried to calculate the velocity of adatom which is deposited on the surface by using coodinate(z) of the adatom and elasped time.
However, my calculation results were different from the velocity calculated from LAMMPS.
By default, LAMMPS uses a velocity Verlet algorithm. You can find a lot of information about it in books like Allen and Tildesley, and from various papers.
Also, you’re confusing average velocity (distance over time) with instantaneous velocity (what LAMMPS needs).