OpenMD 3.0
Molecular Dynamics in the Open
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ConjugateGradient.hpp
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1/* -*- mode: c++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- */
2
3/*
4 Copyright (C) 2006 Ferdinando Ametrano
5 Copyright (C) 2001, 2002, 2003 Nicolas Di Césaré
6 Copyright (C) 2009 Frédéric Degraeve
7
8 This file is part of QuantLib, a free-software/open-source library
9 for financial quantitative analysts and developers - http://quantlib.org/
10
11 QuantLib is free software: you can redistribute it and/or modify it
12 under the terms of the QuantLib license. You should have received a
13 copy of the license along with this program; if not, please email
14 <quantlib-dev@lists.sf.net>. The license is also available online at
15 <http://quantlib.org/license.shtml>.
16
17 This program is distributed in the hope that it will be useful, but WITHOUT
18 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
19 FOR A PARTICULAR PURPOSE. See the license for more details.
20*/
21
22/*! \file conjugategradient.hpp
23 \brief Conjugate gradient optimization method
24*/
25
26#ifndef quantlib_optimization_conjugate_gradient_h
27#define quantlib_optimization_conjugate_gradient_h
28
30
31namespace QuantLib {
32
33 //! Multi-dimensional Conjugate Gradient class.
34 /*! Fletcher-Reeves-Polak-Ribiere algorithm
35 adapted from Numerical Recipes in C, 2nd edition.
36
37 User has to provide line-search method and optimization end criteria.
38 Search direction \f$ d_i = - f'(x_i) + c_i*d_{i-1} \f$
39 where \f$ c_i = ||f'(x_i)||^2/||f'(x_{i-1})||^2 \f$
40 and \f$ d_1 = - f'(x_1) \f$
41 */
43 public:
44 ConjugateGradient(LineSearch* lineSearch = NULL) :
45 LineSearchBasedMethod(lineSearch) {}
46
47 private:
48 //! \name LineSearchBasedMethod interface
49 //@{
50 DynamicVector<RealType> getUpdatedDirection(
51 const Problem& P, RealType gold2,
52 const DynamicVector<RealType>& oldGradient);
53 //@}
54 };
55
56} // namespace QuantLib
57
58#endif
Abstract optimization method class.
Dynamically-sized vector class.
Multi-dimensional Conjugate Gradient class.
Base class for line search.
Constrained optimization problem.
Definition Problem.hpp:37