--- trunk/src/selection/HullFinder.cpp	2012/08/22 02:28:28	1782
+++ trunk/src/selection/HullFinder.cpp	2013/06/16 15:15:42	1879
@@ -35,7 +35,7 @@
  *                                                                      
  * [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).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
  * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
  * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
@@ -88,8 +88,11 @@ namespace OpenMD {
 #endif
   }
 
+  HullFinder::~HullFinder() {
+    delete surfaceMesh_;
+  }
+
   OpenMDBitSet HullFinder::findHull() {
-    Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
     OpenMDBitSet bsResult(nStuntDoubles_);
 #ifdef HAVE_QHULL
     surfaceMesh_->computeHull(localSites_);
@@ -97,6 +100,40 @@ namespace OpenMD {
     sprintf( painCave.errMsg,
              "HullFinder : Hull calculation is not possible without libqhull.\n"
              "\tPlease rebuild OpenMD with qhull enabled.");
+    painCave.severity = OPENMD_ERROR;
+    painCave.isFatal = 1;
+    simError();
+#endif
+    
+    std::vector<Triangle> sMesh = surfaceMesh_->getMesh();
+    // Loop over the mesh faces
+    std::vector<Triangle>::iterator face;
+    std::vector<StuntDouble*>::iterator vertex;
+
+    // This will work in parallel because the triangles returned by the mesh
+    // have a NULL stuntDouble if this processor doesn't own the 
+    
+    for (face = sMesh.begin(); face != sMesh.end(); ++face) {
+      Triangle thisTriangle = *face;
+      std::vector<StuntDouble*> vertexSDs = thisTriangle.getVertices();
+      for (vertex = vertexSDs.begin(); vertex != vertexSDs.end(); ++vertex) {
+        if ((*vertex) != NULL) {
+          bsResult.setBitOn((*vertex)->getGlobalIndex());          
+        }
+      }
+    }
+    return bsResult;
+  }
+
+  OpenMDBitSet HullFinder::findHull(int frame) {
+    Snapshot* currSnapshot = info_->getSnapshotManager()->getSnapshot(frame);
+    OpenMDBitSet bsResult(nStuntDoubles_);
+#ifdef HAVE_QHULL
+    surfaceMesh_->computeHull(localSites_);
+#else
+    sprintf( painCave.errMsg,
+             "HullFinder : Hull calculation is not possible without libqhull.\n"
+             "\tPlease rebuild OpenMD with qhull enabled.");
       painCave.severity = OPENMD_ERROR;
       painCave.isFatal = 1;
       simError();
@@ -108,6 +145,9 @@ namespace OpenMD {
     std::vector<Triangle>::iterator face;
     std::vector<StuntDouble*>::iterator vertex;
 
+    // This will work in parallel because the triangles returned by the mesh
+    // have a NULL stuntDouble if this processor doesn't own the 
+    
     for (face = sMesh.begin(); face != sMesh.end(); ++face) {
       Triangle thisTriangle = *face;
       std::vector<StuntDouble*> vertexSDs = thisTriangle.getVertices();