# Copyright 2006-2007 Nanorex, Inc. See LICENSE file for details. """ Adjusts the positions of the given atoms so as to minimize the structure's total energy. """ from NE1_Simulation.Parameter import Parameter class EnergyMinimizer: """ Adjusts the positions of the given atoms so as to minimize the structure's total energy. """ def minimize(self, structure, parameters): """ Minimizes the given structure with the given parameters. When NE1 starts up, it reads some description of the EnergyMinimizer plugin to load which includes a list of Parameters to use for the minimizer configuration dialog. @param structure: whatever NE1 structure object @param parameters: an array of L{NE1_Simulation.Parameter.Parameter} objects @return: the minimized structure object """ pass