[ViewVC] Diff of: OpenMD/trunk/src/applications/staticProps/NanoVolume.cpp

Comparing trunk/src/applications/staticProps/NanoVolume.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 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).
38	<	* [4] Vardeman & Gezelter, in progress (2009).
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		*
40	–	*
41		* NanoVolume.cpp
42		*
43		* Created by Charles F. Vardeman II on 14 Dec 2006.
#	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		}

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