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); |
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); |
124 |
|
DeclareParameter(FrozenBufferRadius, RealType); |
125 |
|
DeclareParameter(LangevinBufferRadius, RealType); |
126 |
|
DeclareParameter(AccumulateBoxDipole, bool); |
127 |
< |
|
127 |
> |
DeclareParameter(NeighborListNeighbors,int); |
128 |
> |
|
129 |
> |
|
130 |
|
public: |
131 |
|
bool addComponent(Component* comp); |
132 |
|
bool addZConsStamp(ZConsStamp* zcons); |