OpenMD 3.0
Molecular Dynamics in the Open
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LineSearchBasedMethod.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) 2009 Frédéric Degraeve
6
7 This file is part of QuantLib, a free-software/open-source library
8 for financial quantitative analysts and developers - http://quantlib.org/
9
10 QuantLib is free software: you can redistribute it and/or modify it
11 under the terms of the QuantLib license. You should have received a
12 copy of the license along with this program; if not, please email
13 <quantlib-dev@lists.sf.net>. The license is also available online at
14 <http://quantlib.org/license.shtml>.
15
16 This program is distributed in the hope that it will be useful, but WITHOUT
17 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
18 FOR A PARTICULAR PURPOSE. See the license for more details.
19*/
20
21/*! \file linesearchbasedmethod.hpp
22 \brief Abstract optimization method class
23*/
24
25#ifndef quantlib_line_search_based_optimization_method_h
26#define quantlib_line_search_based_optimization_method_h
27
30
31using namespace OpenMD;
32namespace QuantLib {
33
34 class LineSearch;
35
37 public:
38 LineSearchBasedMethod(LineSearch* lSearch = NULL);
39 virtual ~LineSearchBasedMethod();
40
41 virtual EndCriteria::Type minimize(Problem& P,
42 const EndCriteria& endCriteria,
43 RealType initialStepSize);
44
45 protected:
46 //! computes the new search direction
48 const Problem& P, RealType gold2,
49 const DynamicVector<RealType>& gradient) = 0;
50 //! line search
52 };
53
54} // namespace QuantLib
55
56#endif
Abstract optimization method class.
Dynamically-sized vector class.
Criteria to end optimization process:
virtual EndCriteria::Type minimize(Problem &P, const EndCriteria &endCriteria, RealType initialStepSize)
minimize the optimization problem P
virtual DynamicVector< RealType > getUpdatedDirection(const Problem &P, RealType gold2, const DynamicVector< RealType > &gradient)=0
computes the new search direction
Base class for line search.
Abstract class for constrained optimization method.
Definition Method.hpp:36
Constrained optimization problem.
Definition Problem.hpp:37
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.