I want to understand how the RATTLE algorithm works. Can somebody give me an example (in pseudocode or using any programming language like python or matlab) of how would I implement a numerical integrator for the simple pendulum problem?

  • 2
    $\begingroup$ It might help readers of this question to know that RATTLE is a variation of Verlet's algorithm used in molecular dynamics simulations. See physics.ujep.cz/~mlisal/md/rattle.pdf There are example Verlet implementations all over the web... $\endgroup$ – Brian Borchers Mar 29 '14 at 4:32

The following snippet of code is an implementation of RATTLE on a system with the constraint $g(x, y) = K x^2 + y^2 - 1 = 0$.

// Constraint.
double g(const double2& r) {
  return K * r.x * r.x + r.y * r.y - 1.0;

// Gradient of constraint.
double2 G(const double2& r) {
  return double2(2.0 * K * r.x, 2.0 * r.y);

void rattle(double2& q, double2& p, double& lambda, double h) {
  // Declare auxiliary constants.
  const double2 Gqprev = G(q);

  // Deal with constraint on the configuration manifold.
  q += h * p;
  double lambda_r = 0.0;
  // Solve using Newton's method.
  for (size_t k = 1; k <= max_iters; k++) {
    if (k == max_iters)

    const double2 r = q - lambda_r * Gqprev;
    const double phi = g(r);
    const double dphi_dl = -dot(G(r), Gqprev);
    const double update = phi / dphi_dl;

    if (fabs(phi) < tol && fabs(update) < tol)

    lambda_r -= update;

  q -= lambda_r * Gqprev;
  p -= lambda_r / h * Gqprev;

  // Deal with constraint on the tangent space.
  const double2 Gq = G(q);
  double lambda_v = dot(Gq, p) / dot(Gq, Gq);
  p -= lambda_v * Gq;

  lambda = (lambda_r + lambda_v) / 2.0;

  assert(fabs(g(q)) < tol && fabs(dot(G(q), p)) < tol);

I use the notation from chapter 7 in the book Simulating Hamiltonian Dynamics.

For your convenience, I have uploaded a standalone program that you can compile, run, and play with at https://gist.github.com/jmbr/9857614#file-rattle-cpp The program produces output that can be used to plot the graphs shown below (an example trajectory and its corresponding plot of total energy as a function of time).

Example of constrained trajectory Total energy as function of time

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