Alejandro Varas edited geometry optimization.tex  over 9 years ago

Commit id: 2319e375db4d3e0853d1dae60da4049500ee4557

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If not all, most methods to obtain stable structures are based on local minimizers, which are algorithms adapted to identify the first minimum-energy structure starting from an arbitrary point on the coordinates space.  Among the variety of local minimizers available on the literature, the so-called FIRE (Fast Inertial Relaxation Engine)  algorithm, put forward by Bitzek {\it et al.}~\cite{Bitzek2006}, has become a robust state of the art local minimizer. It has  proven to have a competitive performance compared with both standard implementations of the conjugate gradient method, and more sophisticated schemes typically used in {\it ab initio} calculations. And a recent article shows the FIRE as the most convenient algorithm do to its speed and precision in order to reach the nearest local minimum starting from a given initial configuration~\cite{Asenjo2013}.