| 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). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
/** |
| 94 |
|
bool isDipole() { |
| 95 |
|
return atomType_->isDipole(); |
| 96 |
|
} |
| 96 |
– |
|
| 97 |
– |
bool isQudrapole() { |
| 98 |
– |
return atomType_->isQuadrupole(); |
| 99 |
– |
} |
| 97 |
|
|
| 98 |
|
bool isMultipole() { |
| 99 |
|
return atomType_->isMultipole(); |