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root/OpenMD/branches/development/src/selection/HullFinder.cpp

Comparing:
trunk/src/selection/HullFinder.cpp (file contents), Revision 1438 by chuckv, Wed Apr 21 19:05:04 2010 UTC vs.
branches/development/src/selection/HullFinder.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#include "selection/HullFinder.hpp"
#	Line 84 | Line 85 | namespace OpenMD {
85		}
86		#ifdef HAVE_QHULL
87		surfaceMesh_ = new ConvexHull();
87	–	#else
88	–	sprintf( painCave.errMsg,
89	–	"Hullfinder error: Hull calculation not possible without libqhull.\n",
90	–	"Please rebuild with Qhull");
91	–	painCave.severity = OPENMD_ERROR;
92	–	painCave.isFatal = 1;
93	–	simError();
94	–
88		#endif
89		}
90
#	Line 99 | Line 92 | namespace OpenMD {
92		StuntDouble* sd;
93		Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
94		OpenMDBitSet bsResult(nStuntDoubles_);
95	<
95	>	#ifdef HAVE_QHULL
96		surfaceMesh_->computeHull(localSites_);
97	+	#else
98	+	sprintf( painCave.errMsg,
99	+	"HullFinder : Hull calculation is not possible without libqhull.\n"
100	+	"\tPlease rebuild OpenMD with qhull enabled.");
101	+	painCave.severity = OPENMD_ERROR;
102	+	painCave.isFatal = 1;
103	+	simError();
104	+	#endif
105	+
106		std::vector<Triangle> sMesh = surfaceMesh_->getMesh();
107		int nTriangles = sMesh.size();
108		// Loop over the mesh faces

Comparing:
trunk/src/selection/HullFinder.cpp (property svn:keywords), Revision 1438 by chuckv, Wed Apr 21 19:05:04 2010 UTC vs.
branches/development/src/selection/HullFinder.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

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