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() { |