--- branches/development/src/math/ConvexHull.cpp	2010/07/09 23:08:25	1465
+++ branches/development/src/math/ConvexHull.cpp	2013/04/02 21:30:34	1856
@@ -34,10 +34,10 @@
  *                                                                      
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
- * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
+ * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
  *
- *
  *  ConvexHull.cpp
  *
  *  Purpose: To calculate convexhull, hull volume libqhull.
@@ -62,20 +62,10 @@
 #include <mpi.h>
 #endif
 
-using namespace OpenMD;
+#include "math/qhull.hpp"
 
 #ifdef HAVE_QHULL
-extern "C"
-{
-#include <qhull/qhull.h>
-#include <qhull/mem.h>
-#include <qhull/qset.h>
-#include <qhull/geom.h>
-#include <qhull/merge.h>
-#include <qhull/poly.h>
-#include <qhull/io.h>
-#include <qhull/stat.h>
-}
+using namespace OpenMD;
 
 ConvexHull::ConvexHull() : Hull(), dim_(3), options_("qhull Qt Pp") {
 }
@@ -90,13 +80,14 @@ void ConvexHull::computeHull(std::vector<StuntDouble*>
   facetT *facet;
   setT *vertices;
   int curlong, totlong;
-  pointT *intPoint;
+  // pointT *intPoint;
   
   std::vector<double> ptArray(numpoints*dim_);
 
   // Copy the positon vector into a points vector for qhull.
   std::vector<StuntDouble*>::iterator SD;
   int i = 0;
+
   for (SD =bodydoubles.begin(); SD != bodydoubles.end(); ++SD){
     Vector3d pos = (*SD)->getPos();      
     ptArray[dim_ * i] = pos.x();
@@ -214,8 +205,9 @@ void ConvexHull::computeHull(std::vector<StuntDouble*>
   } //qh_new_qhull
 
 #endif
-  intPoint = qh interior_point;
-  RealType calcvol = 0.0;
+  // commented out below, so comment out here also.
+  // intPoint = qh interior_point;
+  // RealType calcvol = 0.0;
   FORALLfacets {  
     Triangle face;
     //Qhull sets the unit normal in facet->normal
@@ -274,7 +266,7 @@ void ConvexHull::computeHull(std::vector<StuntDouble*>
 
     face.addVertices(p[0], p[1], p[2]);
     face.setFacetMass(faceMass);
-    face.setFacetVelocity(faceVel/3.0);
+    face.setFacetVelocity(faceVel / RealType(3.0));
     /*
     RealType comparea = face.computeArea();
     realT calcarea = qh_facetarea (facet);
@@ -292,7 +284,7 @@ void ConvexHull::computeHull(std::vector<StuntDouble*>
   qh_getarea(qh facet_list);
   volume_ = qh totvol;
   area_ = qh totarea;
-  //  std::cout << "My volume is: " << calcvol << " qhull volume is:" << volume_ << std::endl; 
+  // std::cout << " qhull volume is:" << volume_ << std::endl; 
   qh_freeqhull(!qh_ALL);
   qh_memfreeshort(&curlong, &totlong);
   if (curlong || totlong) {