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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 36 |
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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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< |
* [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). * |
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* |
| 40 |
– |
* |
| 41 |
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* Hull.hpp |
| 42 |
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* |
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* Purpose: Provide common interface for computing hulls in OpenMD. |
| 44 |
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* |
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* Created by Charles F. Vardeman II on 27 July 2008. |
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* @author Charles F. Vardeman II |
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< |
* @version $Id: Hull.hpp,v 1.5 2009-11-25 20:02:01 gezelter Exp $ |
| 47 |
> |
* @version $Id$ |
| 48 |
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* |
| 49 |
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*/ |
| 50 |
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|
| 60 |
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#include <vector> |
| 61 |
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#include <string> |
| 62 |
|
|
| 63 |
– |
|
| 64 |
– |
|
| 63 |
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namespace OpenMD { |
| 64 |
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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 |
| 70 |
> |
virtual Mat3x3d getBoundingBox()=0; //Bounding box of Hull sites |
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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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}; |
