The Velocity Verlet algorithm updates both the positions and velocities of particles in a time-stepped fashion. It is an extension of the basic Verlet algorithm, which only updates positions. The Velocity Verlet algorithm consists of the following steps:
Update positions using current velocities and accelerations. Compute the forces and hence the new accelerations from the updated positions. Update velocities using the average of the old and new accelerations.
This approach ensures better energy conservation and stability, which is crucial when dealing with atomic-scale simulations.
