| 34 |
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* |
| 35 |
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* [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 |
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* [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 |
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* |
| 80 |
|
facetT *facet; |
| 81 |
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setT *vertices; |
| 82 |
|
int curlong, totlong; |
| 83 |
< |
pointT *intPoint; |
| 83 |
> |
// 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; |
| 208 |
> |
// commented out below, so comment out here also. |
| 209 |
> |
// intPoint = qh interior_point; |
| 210 |
> |
// RealType calcvol = 0.0; |
| 211 |
|
FORALLfacets { |
| 212 |
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Triangle face; |
| 213 |
|
//Qhull sets the unit normal in facet->normal |