--- branches/development/src/math/ConvexHull.cpp 2012/11/16 21:18:42 1812 +++ branches/development/src/math/ConvexHull.cpp 2013/02/20 15:39:39 1850 @@ -34,7 +34,7 @@ * * [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). + * [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). * * @@ -80,7 +80,7 @@ void ConvexHull::computeHull(std::vector facetT *facet; setT *vertices; int curlong, totlong; - pointT *intPoint; + // pointT *intPoint; std::vector ptArray(numpoints*dim_); @@ -205,9 +205,9 @@ void ConvexHull::computeHull(std::vector } //qh_new_qhull #endif - - intPoint = qh interior_point; - RealType calcvol = 0.0; + // commented out below, so comment out here also. + // intPoint = qh interior_point; + // RealType calcvol = 0.0; FORALLfacets { Triangle face; //Qhull sets the unit normal in facet->normal