35 |
|
* |
36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
|
*/ |
143 |
|
vector<potVec> pot_row; |
144 |
|
vector<potVec> pot_col; |
145 |
|
|
146 |
+ |
vector<potVec> expot_row; |
147 |
+ |
vector<potVec> expot_col; |
148 |
+ |
|
149 |
|
vector<int> identsRow; |
150 |
|
vector<int> identsCol; |
151 |
|
|