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root/OpenMD/branches/development/src/math/ConvexHull.hpp
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Comparing:
trunk/src/math/ConvexHull.hpp (file contents), Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/math/ConvexHull.hpp (file contents), Revision 1858 by gezelter, Wed Apr 3 21:32:13 2013 UTC

# Line 34 | Line 34
34   *                                                                      
35   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
36   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
37 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 < * [4]  Vardeman & Gezelter, in progress (2009).                        
37 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
38 > * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39 > * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40   *
40 – *
41   *  ConvexHull.hpp
42   *
43   *  Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull.
# Line 76 | Line 76 | namespace OpenMD {
76      /* Total Volume enclosed by Hull */
77      RealType getVolume(){ return volume_; }
78  
79 +    /* Bounding Box for Hull sites */
80 +    Mat3x3d getBoundingBox(){ return boundingBox_; }
81 +
82      std::vector<Triangle> getMesh(){return Triangles_;}
83      void printHull(const std::string& geomFileName);
84  
85    protected:
86      RealType volume_;
87      RealType area_;
88 +    Mat3x3d boundingBox_;
89      int dim_;
90      const std::string options_;
91      

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