SAGA 1.0

SAGA is a program that implements a simulated annealing (SA) method and a genetic algorithm (GA) for the global minimization of Lennard-Jones (LJ) clusters. SAGA provides the following functionality:

• Calculation of idealized geometries using a variety of packing motifs;
• Energy evaluation using Lennard-Jones or extended Lennard-Jones potentials;
• Local minimization by numerical or analytic gradient-based methods;
• Global minimization by simulated annealing (SA) or a genetic algorithm (GA);
• Evaluation of zero-point energies and vibrational frequencies; and
• Analysis of vertical binding energies

SAGA is available, free of charge, as a Windows binary executable or as Fortran-compilable source code for Unix/Linux platforms.