ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/NanoVolume.cpp
(Generate patch)

Comparing trunk/src/applications/staticProps/NanoVolume.cpp (file contents):
Revision 1878 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 34 | Line 34
34   *                                                                      
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).          
37 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
38   * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39   * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40   *
# Line 47 | Line 47
47   */
48  
49   #include "applications/staticProps/NanoVolume.hpp"
50 + #if defined(HAVE_QHULL)
51   #include "math/ConvexHull.hpp"
52   #include "math/AlphaHull.hpp"
53 + #endif
54   #include "utils/simError.h"
55   #include "io/DumpReader.hpp"
56   #include "primitives/Molecule.hpp"
# Line 83 | Line 85 | void NanoVolume::process() {
85    Vector3d vec;
86    int i,j;
87  
86 – #ifdef HAVE_QHULL
88     //ConvexHull* thishull = new ConvexHull();
89     AlphaHull* thishull = new AlphaHull(2.0);
89 – #endif
90  
91    DumpReader reader(info_, dumpFilename_);
92    int nFrames = reader.getNFrames();
# Line 155 | Line 155 | void NanoVolume::process() {
155    sprintf(painCave.errMsg, "NanoVolume: qhull support was not compiled in!\n");
156    painCave.isFatal = 1;
157    simError();  
158 –
158   #endif
159  
160   }

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines