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root/OpenMD/branches/development/src/math/AlphaHull.cpp
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Comparing branches/development/src/math/AlphaHull.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

# Line 35 | Line 35
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).                        
39 < *
38 > * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39 > * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40   *
41   *  AlphaHull.cpp
42   *
# Line 68 | Line 68 | extern "C"
68   #ifdef HAVE_QHULL
69   extern "C"
70   {
71 < #include <qhull/qhull.h>
71 > #include <qhull/libqhull.h>
72   #include <qhull/mem.h>
73   #include <qhull/qset.h>
74   #include <qhull/geom.h>
# Line 358 | Line 358 | void AlphaHull::computeHull(std::vector<StuntDouble*>
358        facetlist.push_back(virtexlist);
359        face.addVertices(p[0],p[1],p[2]);
360        face.setFacetMass(faceMass);
361 <      face.setFacetVelocity(faceVel/3.0);
361 >      face.setFacetVelocity(faceVel / RealType(3.0));
362        
363        RealType area = face.getArea();
364        area_ += area;

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