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MOLECULAR DYNAMICS

Solve Newton's Equations for N ``classical'' atoms,
to determine $r(t + \Delta t)$ and $v(t + \Delta t)$ for each.
\begin{displaymath}F_{i\alpha} = m\cdot\frac{d^2r_{i\alpha}}{dt^2} = -\frac{\partial E}
{\partial r_{i\alpha}} \end{displaymath}
\begin{displaymath}v_{i\alpha} = \frac{dr_{i\alpha}}{dt} \end{displaymath}

$\Delta$t : integration time-step,
$i$ : the atom under consideration,
$F_i$ : the force applied on $i$,
$E$ : the potential energy,
$\alpha$ : the coordinates $x$, $y$ and $z$,
\begin{displaymath}r = \sqrt{x^2 + y^2 + z^2} \end{displaymath}
Need potentials!