| 65 |
|
DeclareParameter(Ensemble, std::string); |
| 66 |
|
DeclareParameter(Dt, RealType); |
| 67 |
|
DeclareParameter(RunTime, RealType); |
| 68 |
– |
//DeclareParameter(InitialConfig, std::string); |
| 68 |
|
DeclareParameter(FinalConfig, std::string); |
| 69 |
|
DeclareParameter(SampleTime, RealType); |
| 70 |
|
DeclareParameter(ResetTime, RealType); |
| 71 |
|
DeclareParameter(StatusTime, RealType); |
| 72 |
|
DeclareParameter(CutoffRadius, RealType); |
| 73 |
|
DeclareParameter(SwitchingRadius, RealType); |
| 75 |
– |
DeclareParameter(Dielectric, RealType); |
| 74 |
|
DeclareParameter(TempSet, bool); |
| 75 |
|
DeclareParameter(ThermalTime, RealType); |
| 76 |
|
DeclareParameter(UsePeriodicBoundaryConditions, bool); |
| 77 |
|
DeclareParameter(TargetPressure, RealType); |
| 78 |
+ |
DeclareParameter(UseAtomicVirial, bool); |
| 79 |
|
DeclareParameter(TauThermostat, RealType); |
| 80 |
|
DeclareParameter(TauBarostat, RealType); |
| 81 |
|
DeclareParameter(ZconsTime, RealType); |
| 110 |
|
DeclareParameter(ElectrostaticSummationMethod, std::string); |
| 111 |
|
DeclareParameter(ElectrostaticScreeningMethod, std::string); |
| 112 |
|
DeclareParameter(DampingAlpha, RealType); |
| 113 |
+ |
DeclareParameter(Dielectric, RealType); |
| 114 |
|
DeclareParameter(CutoffPolicy, std::string); |
| 115 |
|
DeclareParameter(SwitchingFunctionType, std::string); |
| 116 |
|
DeclareParameter(CompressDumpFile, bool); |
| 124 |
|
DeclareParameter(FrozenBufferRadius, RealType); |
| 125 |
|
DeclareParameter(LangevinBufferRadius, RealType); |
| 126 |
|
DeclareParameter(AccumulateBoxDipole, bool); |
| 127 |
< |
|
| 127 |
> |
DeclareParameter(NeighborListNeighbors,int); |
| 128 |
> |
DeclareParameter(TempDepViscosityA,RealType); |
| 129 |
> |
DeclareParameter(TempDepViscosityB,RealType); |
| 130 |
> |
DeclareParameter(TempDepViscosityC,RealType); |
| 131 |
> |
DeclareParameter(TempDepViscosityD,RealType); |
| 132 |
> |
|
| 133 |
|
public: |
| 134 |
|
bool addComponent(Component* comp); |
| 135 |
|
bool addZConsStamp(ZConsStamp* zcons); |