# | 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 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) { |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |