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Comparing:
trunk/src/math/ChebyshevPolynomials.hpp (file contents), Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
branches/development/src/math/ChebyshevPolynomials.hpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Vardeman & Gezelter, in progress (2009).
40		*/
41
42		/**
#	Line 50 | Line 50
50		#define MATH_CHEBYSHEVPOLYNOMIALS_HPP
51
52		#include <vector>
53	+	#include <cassert>
54
55		#include "math/Polynomial.hpp"
56
57	<	namespace oopse {
57	>	namespace OpenMD {
58
59	<	/**
60	<	* @class ChebyshevPolynomials
61	<	* A collection of Chebyshev Polynomials.
62	<	* @todo document
63	<	*/
64	<	class ChebyshevPolynomials {
65	<	public:
66	<	ChebyshevPolynomials(int maxPower);
67	<
68	<	/**
69	<	* Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.
70	<	* @return The value of the nth Chebyshev Polynomial evaluates at the given x value
71	<	* @param n
72	<	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
73	<	*/
59	>	/**
60	>	* @class ChebyshevPolynomials
61	>	* A collection of Chebyshev Polynomials.
62	>	* @todo document
63	>	*/
64	>	class ChebyshevPolynomials {
65	>	public:
66	>	ChebyshevPolynomials(int maxPower);
67	>	virtual ~ChebyshevPolynomials() {}
68	>	/**
69	>	* Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.
70	>	* @return The value of the nth Chebyshev Polynomial evaluates at the given x value
71	>	* @param n
72	>	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
73	>	*/
74
75	<	double evaluate(int n, double x) {
76	<	assert (n <= maxPower_ && n >=0);
77	<	return polyList_[n].evaluate(x);
78	<	}
75	>	RealType evaluate(int n, RealType x) {
76	>	assert (n <= maxPower_ && n >=0);
77	>	return polyList_[n].evaluate(x);
78	>	}
79
80	<	/**
81	<	* Returns the first derivative of the nth Chebyshev Polynomial.
82	<	* @return the first derivative of the nth Chebyshev Polynomial
83	<	* @param n
84	<	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
85	<	*/
86	<	double evaluateDerivative(int n, double x) {
87	<	assert (n <= maxPower_ && n >=0);
88	<	return polyList_[n].evaluateDerivative(x);
89	<	}
80	>	/**
81	>	* Returns the first derivative of the nth Chebyshev Polynomial.
82	>	* @return the first derivative of the nth Chebyshev Polynomial
83	>	* @param n
84	>	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
85	>	*/
86	>	RealType evaluateDerivative(int n, RealType x) {
87	>	assert (n <= maxPower_ && n >=0);
88	>	return polyList_[n].evaluateDerivative(x);
89	>	}
90
91	<	/**
92	<	* Returns the nth Chebyshev Polynomial
93	<	* @return the nth Chebyshev Polynomial
94	<	* @param n
95	<	*/
96	<	const DoublePolynomial& getChebyshevPolynomial(int n) const {
97	<	assert (n <= maxPower_ && n >=0);
98	<	return polyList_[n];
99	<	}
91	>	/**
92	>	* Returns the nth Chebyshev Polynomial
93	>	* @return the nth Chebyshev Polynomial
94	>	* @param n
95	>	*/
96	>	const DoublePolynomial& getChebyshevPolynomial(int n) const {
97	>	assert (n <= maxPower_ && n >=0);
98	>	return polyList_[n];
99	>	}
100
101	<	protected:
101	>	protected:
102
103	<	std::vector<DoublePolynomial> polyList_;
103	>	std::vector<DoublePolynomial> polyList_;
104	>	void GeneratePolynomials(int maxPower);
105
106	<	private:
106	>	private:
107
108	<	void GeneratePolynomials(int maxPower);
107	<	virtual void GenerateFirstTwoTerms() = 0;
108	>	virtual void GenerateFirstTwoTerms() = 0;
109
110	<	int maxPower_;
111	<	};
110	>	int maxPower_;
111	>	};
112	>	/*
113	>	/**
114	>	* @class ChebyshevT
115	>	* @todo document
116	>	*/
117	>	class ChebyshevT : public ChebyshevPolynomials {
118	>	public:
119	>	ChebyshevT(int maxPower) :ChebyshevPolynomials(maxPower) {}
120
121	<	/**
122	<	* @class ChebyshevT
123	<	* @todo document
115	<	*/
116	<	class ChebyshevT : public ChebyshevPolynomials {
117	<	public:
118	<	ChebyshevT(int maxPower) :ChebyshevPolynomials(maxPower) {}
121	>	private:
122	>	virtual void GenerateFirstTwoTerms();
123	>	};
124
125	<	private:
126	<	virtual void GenerateFirstTwoTerms();
127	<	};
125	>	/**
126	>	* @class ChebyshevU
127	>	* @todo document
128	>	*/
129	>	class ChebyshevU : public ChebyshevPolynomials {
130	>	public:
131	>	ChebyshevU(int maxPower) :ChebyshevPolynomials(maxPower) {}
132
133	<	/**
134	<	* @class ChebyshevU
135	<	* @todo document
136	<	*/
128	<	class ChebyshevU : public ChebyshevPolynomials {
129	<	public:
130	<	ChebyshevU(int maxPower) :ChebyshevPolynomials(maxPower) {}
133	>	private:
134	>	virtual void GenerateFirstTwoTerms();
135	>	};
136	>	*/
137
138	<	private:
133	<	virtual void GenerateFirstTwoTerms();
134	<	};
135	<
136	<
137	<	} //end namespace oopse
138	>	} //end namespace OpenMD
139		#endif //MATH_CHEBYSHEVPOLYNOMIALS_HPP

Comparing:
trunk/src/math/ChebyshevPolynomials.hpp (property svn:keywords), Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
branches/development/src/math/ChebyshevPolynomials.hpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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