Class Scine::Utils::VelocityVerletMD¶
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class
VelocityVerletMD
: public Scine::Utils::MDIntegrator¶ Class implementing the Velocity Verlet algorithm for Molecular Dynamics.
The position is updated with \( r_i(t + \Delta t) = r_i(t) + \Delta t v_i(t) + \frac{\Delta t^2}{2m_i} f_i(t) + O(\Delta t^3) \) and the velocities with \( v_i(t + \Delta t) = v_i(t) + \frac{\Delta t}{2 m_i} (f_i(t) + f_i(t + \Delta t)) + O(\Delta t^3) \)