Class Scine::Utils::LeapFrogMD

class LeapFrogMD : public Scine::Utils::MDIntegrator

Class implementing the LeapFrog algorithm for Molecular Dynamics.

The velocities are updated with \( v_i(t + \frac{1}{2} \Delta t) = v_i(t - \frac{1}{2} \Delta t) + \frac{\Delta t}{m_i} f_i(t) \) and the positions with \( r_i(t + \Delta t) = r_i(t) + \Delta t v_i(t + \frac{1}{2} \Delta t) \)