--- branches/development/src/math/CubicSpline.hpp 2010/07/26 19:00:48 1479 +++ branches/development/src/math/CubicSpline.hpp 2011/11/22 20:38:56 1665 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #ifndef MATH_CUBICSPLINE_HPP @@ -53,7 +54,7 @@ namespace OpenMD { public: CubicSpline(); virtual ~CubicSpline() {} - void addPoint(RealType xp, RealType yp); + void addPoint(const RealType xp, const RealType yp); void addPoints(const vector& xps, const vector& yps); RealType getValueAt(RealType t); pair getValueAndDerivativeAt(RealType t); @@ -64,7 +65,7 @@ namespace OpenMD { bool generated; RealType dx; int n; - vector > data; + vector > data_; vector b; vector c; vector d;