| 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 |
|
*/ |
| 83 |
|
DeclareParameter(UsePeriodicBoundaryConditions, bool); |
| 84 |
|
DeclareParameter(TargetPressure, RealType); |
| 85 |
|
DeclareParameter(UseAtomicVirial, bool); |
| 86 |
+ |
DeclareParameter(UseLongRangeCorrections, bool); |
| 87 |
|
DeclareParameter(TauThermostat, RealType); |
| 88 |
|
DeclareParameter(TauBarostat, RealType); |
| 89 |
|
DeclareParameter(ZconsTime, RealType); |
| 139 |
|
DeclareParameter(HULL_Method, std::string); |
| 140 |
|
DeclareParameter(Alpha, RealType); |
| 141 |
|
DeclareAlterableParameter(MDfileVersion, int); |
| 142 |
+ |
DeclareParameter(ElectricField, OpenMD::Vector3d); |
| 143 |
|
|
| 144 |
|
public: |
| 145 |
|
bool addComponent(Component* comp); |