  In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit
better performance and accuracy in finding local minima than line-search-based
descent algorithms like steepest descent or conjugate gradient. Here, an
improved version of the fast inertial relaxation engine (FIRE) and its
implementation within the open-source code LAMMPS is presented. It is shown
that the correct choice of time integration scheme and minimization parameters
is crucial for performance.
