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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* |
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#include <vector> |
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#include <string> |
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– |
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– |
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namespace OpenMD { |
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class Hull { |
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public: |
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virtual ~Hull(){}; |
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virtual void computeHull(std::vector<StuntDouble*> bodydoubles)=0; |
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virtual RealType getArea()=0; //Total area of Hull |
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< |
virtual RealType getVolume()=0; //Total Volume inclosed by Hull |
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> |
virtual RealType getVolume()=0; //Total Volume enclosed by Hull |
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virtual std::vector<Triangle > getMesh()=0; |
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virtual void printHull(const std::string& geomFileName)=0; |
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}; |