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root/OpenMD/trunk/src/selection/HullFinder.hpp
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Comparing trunk/src/selection/HullFinder.hpp (file contents):
Revision 1816 by gezelter, Fri Dec 7 18:33:33 2012 UTC vs.
Revision 1903 by gezelter, Tue Jul 16 18:58:08 2013 UTC

# Line 35 | Line 35
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   */
# Line 52 | Line 52 | namespace OpenMD {
52    class HullFinder {
53    public:
54      HullFinder(SimInfo* si);
55 +    ~HullFinder();
56      
57      OpenMDBitSet findHull();
58      OpenMDBitSet findHull(int frame);
59 +    RealType getSurfaceArea(){ return surfaceArea_; }
60      
61      SimInfo* info_;
62      std::vector<StuntDouble*> stuntdoubles_;
63      int nStuntDoubles_;
64      Hull* surfaceMesh_;
65 +    RealType surfaceArea_;
66      std::vector<StuntDouble*> localSites_;
67  
68    };

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