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root/OpenMD/trunk/src/math/LegendrePolynomial.hpp

Comparing trunk/src/math/LegendrePolynomial.hpp (file contents):
Revision 876 by tim, Mon Jan 30 22:25:27 2006 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	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, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 46 | Line 47
47		* @version 1.0
48		*/
49
50	<	#ifndef MATH_CHEBYSHEVPOLYNOMIALS_HPP
51	<	#define MATH_CHEBYSHEVPOLYNOMIALS_HPP
50	>	#ifndef MATH_LEGENDREPOLYNOMIALS_HPP
51	>	#define MATH_LEGENDREPOLYNOMIALS_HPP
52
53		#include <vector>
54		#include <cassert>
55
56		#include "math/Polynomial.hpp"
57
58	<	namespace oopse {
58	>	namespace OpenMD {
59
60		/**
61		* @class LegendrePolynomial
62	<	* A collection of Chebyshev Polynomials.
62	>	* A collection of Legendre Polynomials.
63		* @todo document
64		*/
65		class LegendrePolynomial {
#	Line 66 | Line 67 | namespace oopse {
67		LegendrePolynomial(int maxPower);
68		virtual ~LegendrePolynomial() {}
69		/**
70	<	* Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.
71	<	* @return The value of the nth Chebyshev Polynomial evaluates at the given x value
70	>	* Calculates the value of the nth Legendre Polynomial evaluated at the given x value.
71	>	* @return The value of the nth Legendre Polynomial evaluates at the given x value
72		* @param n
73	<	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
73	>	* @param x the value of the independent variable for the nth Legendre Polynomial  function
74		*/
75
76	<	double evaluate(int n, double x) {
76	>	RealType evaluate(int n, RealType x) {
77		assert (n <= maxPower_ && n >=0);
78		return polyList_[n].evaluate(x);
79		}
80
81		/**
82	<	* Returns the first derivative of the nth Chebyshev Polynomial.
83	<	* @return the first derivative of the nth Chebyshev Polynomial
82	>	* Returns the first derivative of the nth Legendre Polynomial.
83	>	* @return the first derivative of the nth Legendre Polynomial
84		* @param n
85	<	* @param x the value of the independent variable for the nth Chebyshev Polynomial  function
85	>	* @param x the value of the independent variable for the nth Legendre Polynomial  function
86		*/
87	<	double evaluateDerivative(int n, double x) {
87	>	RealType evaluateDerivative(int n, RealType x) {
88		assert (n <= maxPower_ && n >=0);
89		return polyList_[n].evaluateDerivative(x);
90		}
91
92		/**
93	<	* Returns the nth Chebyshev Polynomial
94	<	* @return the nth Chebyshev Polynomial
93	>	* Returns the nth Legendre Polynomial
94	>	* @return the nth Legendre Polynomial
95		* @param n
96		*/
97		const DoublePolynomial& getLegendrePolynomial(int n) const {
#	Line 111 | Line 112 | namespace oopse {
112		};
113
114
115	<	} //end namespace oopse
116	<	#endif //MATH_CHEBYSHEVPOLYNOMIALS_HPP
115	>	}
116	>	#endif
117

Comparing trunk/src/math/LegendrePolynomial.hpp (property svn:keywords):
Revision 876 by tim, Mon Jan 30 22:25:27 2006 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

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