| 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 |  | * | 
| 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 |  |  | 
| 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 |