--- trunk/src/math/ConvexHull.hpp 2013/06/13 14:26:09 1878 +++ trunk/src/math/ConvexHull.hpp 2013/06/16 15:15:42 1879 @@ -34,7 +34,7 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * @@ -76,12 +76,16 @@ namespace OpenMD { /* Total Volume enclosed by Hull */ RealType getVolume(){ return volume_; } + /* Bounding Box for Hull sites */ + Mat3x3d getBoundingBox(){ return boundingBox_; } + std::vector getMesh(){return Triangles_;} void printHull(const std::string& geomFileName); protected: RealType volume_; RealType area_; + Mat3x3d boundingBox_; int dim_; const std::string options_;