| 34 | 
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 *                                                                       | 
| 35 | 
  | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 36 | 
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 * [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 | 
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 * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * | 
| 40 | 
  | 
 * | 
| 80 | 
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  facetT *facet; | 
| 81 | 
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  setT *vertices; | 
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  int curlong, totlong; | 
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  pointT *intPoint; | 
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> | 
  // pointT *intPoint; | 
| 84 | 
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   | 
| 85 | 
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  std::vector<double> ptArray(numpoints*dim_); | 
| 86 | 
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 | 
| 205 | 
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  } //qh_new_qhull | 
| 206 | 
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 | 
| 207 | 
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#endif | 
| 208 | 
< | 
 | 
| 209 | 
< | 
  intPoint = qh interior_point; | 
| 210 | 
< | 
  RealType calcvol = 0.0; | 
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> | 
  // commented out below, so comment out here also. | 
| 209 | 
> | 
  // intPoint = qh interior_point; | 
| 210 | 
> | 
  // RealType calcvol = 0.0; | 
| 211 | 
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  FORALLfacets {   | 
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    Triangle face; | 
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    //Qhull sets the unit normal in facet->normal |