| 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). | 
| 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 |  | */ | 
| 56 |  | virtual ~CubicSpline() {} | 
| 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); | 
| 59 | > | RealType getValueAt(const RealType& t); | 
| 60 | > | pair<RealType, RealType> getValueAndDerivativeAt(const RealType& t); | 
| 61 | > | void getValueAt(const RealType& t, RealType& v); | 
| 62 | > | void getValueAndDerivativeAt(const RealType& t, RealType& v, RealType& d); | 
| 63 |  |  | 
| 64 |  | private: | 
| 65 |  | void generate(); | 
| 66 |  | bool isUniform; | 
| 67 |  | bool generated; | 
| 68 | < | RealType dx; | 
| 69 | < | int n; | 
| 68 | > | RealType dx, dt, yval, dydx; | 
| 69 | > | int n, j; | 
| 70 |  | vector<pair<RealType, RealType> > data_; | 
| 71 |  | vector<RealType> b; | 
| 72 |  | vector<RealType> c; |