| 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 |
|
*/ |
| 115 |
|
|
| 116 |
|
/** |
| 117 |
|
* Sets the global index of this molecule. |
| 118 |
< |
* @param new global index to be set |
| 118 |
> |
* @param index new global index to be set |
| 119 |
|
*/ |
| 120 |
|
void setGlobalIndex(int index) { |
| 121 |
|
globalIndex_ = index; |