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Comparing trunk/src/math/ChebyshevPolynomials.hpp (file contents):
Revision 809 by gezelter, Mon Dec 12 19:32:50 2005 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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]  Vardeman & Gezelter, in progress (2009).                        
40   */
41  
42   /**
# Line 54 | Line 54
54  
55   #include "math/Polynomial.hpp"
56  
57 < namespace oopse {
57 > namespace OpenMD {
58  
59    /**
60     * @class ChebyshevPolynomials
# Line 72 | Line 72 | namespace oopse {
72       * @param x the value of the independent variable for the nth Chebyshev Polynomial  function
73       */
74          
75 <    double evaluate(int n, double x) {
75 >    RealType evaluate(int n, RealType x) {
76        assert (n <= maxPower_ && n >=0);
77        return polyList_[n].evaluate(x);
78      }
# Line 83 | Line 83 | namespace oopse {
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) {
86 >    RealType evaluateDerivative(int n, RealType x) {
87        assert (n <= maxPower_ && n >=0);
88        return polyList_[n].evaluateDerivative(x);        
89      }
# Line 101 | Line 101 | namespace oopse {
101    protected:
102  
103      std::vector<DoublePolynomial> polyList_;
104 +    void GeneratePolynomials(int maxPower);
105                  
106    private:
107          
107 –    void GeneratePolynomials(int maxPower);
108      virtual void GenerateFirstTwoTerms() = 0;
109          
110      int maxPower_;
111    };    
112 <
112 > /*
113    /**
114     * @class ChebyshevT
115     * @todo document
# Line 133 | Line 133 | namespace oopse {
133    private:
134      virtual void GenerateFirstTwoTerms();
135    };
136 + */
137  
138 <
138 < } //end namespace oopse
138 > } //end namespace OpenMD
139   #endif //MATH_CHEBYSHEVPOLYNOMIALS_HPP

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