| 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 |
|
*/ |
| 57 |
|
sc_ = new SC(); |
| 58 |
|
electrostatic_ = new Electrostatic(); |
| 59 |
|
maw_ = new MAW(); |
| 60 |
+ |
} |
| 61 |
+ |
|
| 62 |
+ |
InteractionManager::~InteractionManager() { |
| 63 |
+ |
delete lj_; |
| 64 |
+ |
delete gb_; |
| 65 |
+ |
delete sticky_; |
| 66 |
+ |
delete morse_; |
| 67 |
+ |
delete repulsivePower_; |
| 68 |
+ |
delete eam_; |
| 69 |
+ |
delete sc_; |
| 70 |
+ |
delete electrostatic_; |
| 71 |
+ |
delete maw_; |
| 72 |
|
} |
| 73 |
|
|
| 74 |
|
void InteractionManager::initialize() { |