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root/OpenMD/trunk/src/math/ChebyshevPolynomials.cpp
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Comparing trunk/src/math/ChebyshevPolynomials.cpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 1 | Line 1
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   #include "math/ChebyshevPolynomials.hpp"
43  
44 < namespace oopse {
45 < ChebyshevPolynomials::ChebyshevPolynomials(int maxPower) : maxPower_(maxPower){
44 > namespace OpenMD {
45 >  ChebyshevPolynomials::ChebyshevPolynomials(int maxPower) : maxPower_(maxPower){
46  
47      assert(maxPower >= 0);
48      GeneratePolynomials(maxPower_);
49 < }
49 >  }
50  
51 < ChebyshevPolynomials::GeneratePolynomials(int maxPower) {
51 >  void ChebyshevPolynomials::GeneratePolynomials(int maxPower) {
52  
53      GenerateFirstTwoTerms();
54  
# Line 58 | Line 58 | ChebyshevPolynomials::GeneratePolynomials(int maxPower
58      //recursive generate the high order term of Chebyshev Polynomials
59      //Cn+1(x) = Cn(x) * 2x - Cn-1(x)
60      for (int i = 2; i <= maxPower; ++i) {
61 <        DoublePolynomial cn;
61 >      DoublePolynomial cn;
62          
63 <        cn = polyList_[i-1] * twoX - polyList_[i-2];
64 <        polyList_.push_back(cn);
63 >      cn = polyList_[i-1] * twoX - polyList_[i-2];
64 >      polyList_.push_back(cn);
65      }
66 < }
66 >  }
67  
68 <
69 < ChebyshevT::GenerateFirstTwoTerms() {
68 > /*
69 >  void ChebyshevT::GenerateFirstTwoTerms() {
70      DoublePolynomial t0;
71      t0.setCoefficient(0, 1.0);
72      polyList_.push_back(t0);
# Line 74 | Line 74 | ChebyshevT::GenerateFirstTwoTerms() {
74      DoublePolynomial t1;
75      t1.setCoefficient(1, 1.0);
76      polyList_.push_back(t1);    
77 < }
77 >  }
78  
79 < ChebyshevU::GenerateFirstTwoTerms() {
79 >  void ChebyshevU::GenerateFirstTwoTerms() {
80      DoublePolynomial u0;
81      u0.setCoefficient(0, 1.0);
82      polyList_.push_back(u0);
# Line 84 | Line 84 | ChebyshevU::GenerateFirstTwoTerms() {
84      DoublePolynomial u1;
85      u1.setCoefficient(1, 2.0);
86      polyList_.push_back(u1);  
87 < }
87 >  }
88 > */
89  
90 < } //end namespace oopse
90 > } //end namespace OpenMD

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