--- trunk/src/applications/staticProps/NanoVolume.cpp	2009/11/25 20:02:06	1390
+++ trunk/src/applications/staticProps/NanoVolume.cpp	2013/06/16 15:15:42	1879
@@ -1,4 +1,4 @@
-/* Copyright (c) 2006 The University of Notre Dame. All Rights Reserved.
+/* Copyright (c) 2006, 2009, 2010 The University of Notre Dame. All Rights Reserved.
  *
  * The University of Notre Dame grants you ("Licensee") a
  * non-exclusive, royalty free, license to use, modify and
@@ -34,20 +34,23 @@
  *                                                                      
  * [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). *
  *
- *
  *  NanoVolume.cpp
  *
  *  Created by Charles F. Vardeman II on 14 Dec 2006.
  *  @author  Charles F. Vardeman II
- *  @version $Id: NanoVolume.cpp,v 1.10 2009-11-25 20:01:59 gezelter Exp $
+ *  @version $Id$
  *
  */
 
 #include "applications/staticProps/NanoVolume.hpp"
+#if defined(HAVE_QHULL)
 #include "math/ConvexHull.hpp"
+#include "math/AlphaHull.hpp"
+#endif
 #include "utils/simError.h"
 #include "io/DumpReader.hpp"
 #include "primitives/Molecule.hpp"
@@ -82,9 +85,8 @@ void NanoVolume::process() {
   Vector3d vec;
   int i,j;
 
-#ifdef HAVE_QHULL
-  ConvexHull* thishull = new ConvexHull();
-#endif
+   //ConvexHull* thishull = new ConvexHull();
+   AlphaHull* thishull = new AlphaHull(2.0);
 
   DumpReader reader(info_, dumpFilename_);
   int nFrames = reader.getNFrames();
@@ -153,7 +155,6 @@ void NanoVolume::process() {
   sprintf(painCave.errMsg, "NanoVolume: qhull support was not compiled in!\n");
   painCave.isFatal = 1;
   simError();  
-
 #endif
 
 }