OpenMD
3.2
Molecular Dynamics in the Open
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LineSearchBasedMethod.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) 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 linesearchbasedmethod.hpp
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\brief Abstract optimization method class
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*/
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#ifndef quantlib_line_search_based_optimization_method_h
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#define quantlib_line_search_based_optimization_method_h
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#include "
math/DynamicVector.hpp
"
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#include "
optimization/Method.hpp
"
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using namespace
OpenMD
;
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namespace
QuantLib {
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class
LineSearch
;
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class
LineSearchBasedMethod :
public
OptimizationMethod
{
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public
:
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LineSearchBasedMethod(
LineSearch
* lSearch = NULL);
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virtual
~LineSearchBasedMethod();
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virtual
EndCriteria::Type
minimize
(
Problem
& P,
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const
EndCriteria
& endCriteria,
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RealType initialStepSize);
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protected
:
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//! computes the new search direction
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virtual
DynamicVector<RealType>
getUpdatedDirection
(
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const
Problem
& P, RealType gold2,
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const
DynamicVector<RealType>
& gradient) = 0;
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//! line search
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LineSearch
*
lineSearch_
;
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};
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}
// namespace QuantLib
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#endif
DynamicVector.hpp
Method.hpp
Abstract optimization method class.
OpenMD::DynamicVector
Dynamically-sized vector class.
Definition
DynamicVector.hpp:74
QuantLib::EndCriteria
Criteria to end optimization process:
Definition
EndCriteria.hpp:42
QuantLib::LineSearchBasedMethod::lineSearch_
LineSearch * lineSearch_
line search
Definition
LineSearchBasedMethod.hpp:51
QuantLib::LineSearchBasedMethod::minimize
virtual EndCriteria::Type minimize(Problem &P, const EndCriteria &endCriteria, RealType initialStepSize)
minimize the optimization problem P
Definition
LineSearchBasedMethod.cpp:37
QuantLib::LineSearchBasedMethod::getUpdatedDirection
virtual DynamicVector< RealType > getUpdatedDirection(const Problem &P, RealType gold2, const DynamicVector< RealType > &gradient)=0
computes the new search direction
QuantLib::LineSearch
Base class for line search.
Definition
LineSearch.hpp:39
QuantLib::OptimizationMethod
Abstract class for constrained optimization method.
Definition
Method.hpp:36
QuantLib::Problem
Constrained optimization problem.
Definition
Problem.hpp:37
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:63
optimization
LineSearchBasedMethod.hpp
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