| 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 |
|
*/ |
| 61 |
|
namespace OpenMD { |
| 62 |
|
|
| 63 |
|
/** |
| 64 |
< |
* @class InteractionManager InteractionManager is responsible for |
| 64 |
> |
* @class InteractionManager |
| 65 |
> |
* InteractionManager is responsible for |
| 66 |
|
* keeping track of the non-bonded interactions (C++) |
| 67 |
|
*/ |
| 68 |
|
class InteractionManager { |
| 69 |
|
|
| 70 |
|
public: |
| 71 |
|
InteractionManager(); |
| 72 |
< |
~InteractionManager(); |
| 72 |
> |
virtual ~InteractionManager(); |
| 73 |
|
void setSimInfo(SimInfo* info) {info_ = info;} |
| 74 |
|
void initialize(); |
| 75 |
|
|