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Revision 1479 by gezelter, Mon Jul 26 19:00:48 2010 UTC vs.
Revision 1849 by gezelter, Wed Feb 20 13:52:51 2013 UTC

# Line 36 | Line 36
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).                        
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   #ifndef MATH_CUBICSPLINE_HPP
# Line 53 | Line 54 | namespace OpenMD {
54    public:    
55      CubicSpline();
56      virtual ~CubicSpline() {}
57 <    void addPoint(RealType xp, RealType yp);
57 >    void addPoint(const RealType xp, const RealType yp);
58      void addPoints(const vector<RealType>& xps, const vector<RealType>& yps);
59      RealType getValueAt(RealType t);
60      pair<RealType, RealType> getValueAndDerivativeAt(RealType t);
# Line 62 | Line 63 | namespace OpenMD {
63      void generate();
64      bool isUniform;
65      bool generated;
66 <    RealType dx;
67 <    int n;
68 <    vector<pair<RealType, RealType> > data;
66 >    RealType dx, dt, yval, dydx;
67 >    int n, j;
68 >    vector<pair<RealType, RealType> > data_;
69      vector<RealType> b;
70      vector<RealType> c;
71      vector<RealType> d;    

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