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# 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
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