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3.2
Molecular Dynamics in the Open
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ConjugateGradient.hpp
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/* -*- mode: c++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- */
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/*
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Copyright (C) 2006 Ferdinando Ametrano
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Copyright (C) 2001, 2002, 2003 Nicolas Di Césaré
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Copyright (C) 2009 Frédéric Degraeve
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This file is part of QuantLib, a free-software/open-source library
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for financial quantitative analysts and developers - http://quantlib.org/
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QuantLib is free software: you can redistribute it and/or modify it
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under the terms of the QuantLib license. You should have received a
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copy of the license along with this program; if not, please email
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<quantlib-dev@lists.sf.net>. The license is also available online at
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<http://quantlib.org/license.shtml>.
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This program is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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FOR A PARTICULAR PURPOSE. See the license for more details.
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*/
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/*! \file conjugategradient.hpp
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\brief Conjugate gradient optimization method
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*/
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#ifndef quantlib_optimization_conjugate_gradient_h
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#define quantlib_optimization_conjugate_gradient_h
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#include "
optimization/LineSearchBasedMethod.hpp
"
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namespace
QuantLib {
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//! Multi-dimensional Conjugate Gradient class.
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/*! Fletcher-Reeves-Polak-Ribiere algorithm
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adapted from Numerical Recipes in C, 2nd edition.
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User has to provide line-search method and optimization end criteria.
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Search direction \f$ d_i = - f'(x_i) + c_i*d_{i-1} \f$
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where \f$ c_i = ||f'(x_i)||^2/||f'(x_{i-1})||^2 \f$
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and \f$ d_1 = - f'(x_1) \f$
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*/
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class
ConjugateGradient :
public
LineSearchBasedMethod {
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public
:
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ConjugateGradient(
LineSearch
* lineSearch = NULL) :
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LineSearchBasedMethod(lineSearch) {}
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private
:
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//! \name LineSearchBasedMethod interface
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//@{
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DynamicVector<RealType>
getUpdatedDirection(
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const
Problem
& P, RealType gold2,
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const
DynamicVector<RealType>
& oldGradient);
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//@}
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};
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}
// namespace QuantLib
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#endif
LineSearchBasedMethod.hpp
Abstract optimization method class.
OpenMD::DynamicVector
Dynamically-sized vector class.
Definition
DynamicVector.hpp:74
QuantLib::LineSearch
Base class for line search.
Definition
LineSearch.hpp:39
QuantLib::Problem
Constrained optimization problem.
Definition
Problem.hpp:37
optimization
ConjugateGradient.hpp
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