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Comparing:
trunk/src/math/LegendrePolynomial.hpp (file contents), Revision 876 by tim, Mon Jan 30 22:25:27 2006 UTC vs.
branches/development/src/math/LegendrePolynomial.hpp (file contents), Revision 1718 by gezelter, Thu May 24 01:29:59 2012 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, 24107 (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.
branches/development/src/math/LegendrePolynomial.hpp (property svn:keywords), Revision 1718 by gezelter, Thu May 24 01:29:59 2012 UTC

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