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 |
|
* |
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) { |