| 35 | 
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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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 * [4]  Vardeman & Gezelter, in progress (2009).                         | 
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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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– | 
 * | 
| 41 | 
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 *  ConvexHull.cpp | 
| 42 | 
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 * | 
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 *  Purpose: To calculate convexhull, hull volume libqhull. | 
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 * | 
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 *  Created by Charles F. Vardeman II on 11 Dec 2006. | 
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 *  @author  Charles F. Vardeman II | 
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 *  @version $Id: ConvexHull.cpp,v 1.21 2009-11-25 20:02:01 gezelter Exp $ | 
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 *  @version $Id$ | 
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 * | 
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 */ | 
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 | 
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#ifdef HAVE_QHULL | 
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extern "C" | 
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{ | 
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#include <qhull/qhull.h> | 
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> | 
#include <qhull/libqhull.h> | 
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#include <qhull/mem.h> | 
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#include <qhull/qset.h> | 
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#include <qhull/geom.h> | 
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 | 
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    face.addVertices(p[0], p[1], p[2]); | 
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    face.setFacetMass(faceMass); | 
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    face.setFacetVelocity(faceVel/3.0); | 
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    face.setFacetVelocity(faceVel / RealType(3.0)); | 
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    /* | 
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    RealType comparea = face.computeArea(); | 
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    realT calcarea = qh_facetarea (facet); |