[ViewVC] Diff of: OpenMD/branches/development/src/math/ConvexHull.cpp

Comparing branches/development/src/math/ConvexHull.cpp (file contents):
Revision 1812 by gezelter, Fri Nov 16 21:18:42 2012 UTC vs.
Revision 1856 by gezelter, Tue Apr 2 21:30:34 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 80 \| Line 80 \| *void ConvexHull::computeHull(std::vector<StuntDouble>**
80		facetT *facet;
81		setT *vertices;
82		int curlong, totlong;
83	<	pointT *intPoint;
83	>	// pointT *intPoint;
84
85		std::vector<double> ptArray(numpoints*dim_);
86
#	Line 205 \| Line 205 \| *void ConvexHull::computeHull(std::vector<StuntDouble>**
205		} //qh_new_qhull
206
207		#endif
208	<
209	<	intPoint = qh interior_point;
210	<	RealType calcvol = 0.0;
208	>	// commented out below, so comment out here also.
209	>	// intPoint = qh interior_point;
210	>	// RealType calcvol = 0.0;
211		FORALLfacets {
212		Triangle face;
213		//Qhull sets the unit normal in facet->normal
#	Line 284 \| Line 284 \| *void ConvexHull::computeHull(std::vector<StuntDouble>**
284		qh_getarea(qh facet_list);
285		volume_ = qh totvol;
286		area_ = qh totarea;
287	<	// std::cout << "My volume is: " << calcvol << " qhull volume is:" << volume_ << std::endl;
287	>	// std::cout << " qhull volume is:" << volume_ << std::endl;
288		qh_freeqhull(!qh_ALL);
289		qh_memfreeshort(&curlong, &totlong);
290		if (curlong \|\| totlong) {

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