| 83 |
|
DeclareParameter(ZconsTime, RealType); |
| 84 |
|
DeclareParameter(ZconsTol, RealType); |
| 85 |
|
DeclareParameter(ZconsForcePolicy, std::string); |
| 86 |
< |
DeclareParameter(Seed, int); |
| 86 |
> |
DeclareParameter(Seed, unsigned long int); |
| 87 |
|
DeclareParameter(UseInitalTime, bool); |
| 88 |
|
DeclareParameter(UseIntialExtendedSystemState, bool); |
| 89 |
|
DeclareParameter(OrthoBoxTolerance, RealType); |
| 124 |
|
DeclareParameter(HydroPropFile, std::string); |
| 125 |
|
DeclareParameter(Viscosity, RealType); |
| 126 |
|
DeclareParameter(BeadSize, RealType); |
| 127 |
+ |
DeclareParameter(ThermalConductivity, RealType); |
| 128 |
+ |
DeclareParameter(ThermalLength, RealType); |
| 129 |
|
DeclareParameter(UseSphericalBoundaryConditions, bool); |
| 130 |
|
DeclareParameter(FrozenBufferRadius, RealType); |
| 131 |
|
DeclareParameter(LangevinBufferRadius, RealType); |
| 132 |
|
DeclareParameter(AccumulateBoxDipole, bool); |
| 133 |
|
DeclareParameter(NeighborListNeighbors, int); |
| 134 |
+ |
DeclareParameter(UseMultipleTemperatureMethod, bool); |
| 135 |
+ |
DeclareParameter(MTM_Ce, RealType); |
| 136 |
+ |
DeclareParameter(MTM_G, RealType); |
| 137 |
+ |
DeclareParameter(MTM_Io, RealType); |
| 138 |
+ |
DeclareParameter(MTM_Sigma, RealType); |
| 139 |
+ |
DeclareParameter(MTM_R, RealType); |
| 140 |
+ |
DeclareParameter(UseRNEMD, bool); |
| 141 |
+ |
DeclareParameter(RNEMD_swapTime, RealType); |
| 142 |
+ |
DeclareParameter(RNEMD_nBins, int); |
| 143 |
+ |
DeclareParameter(RNEMD_swapType, std::string); |
| 144 |
+ |
DeclareParameter(RNEMD_objectSelection, std::string); |
| 145 |
+ |
DeclareParameter(UseRestraints, bool); |
| 146 |
+ |
DeclareParameter(Restraint_objectSelection, std::string); |
| 147 |
+ |
DeclareParameter(Restraint_type, std::string); |
| 148 |
+ |
DeclareParameter(Restraint_file, std::string); |
| 149 |
+ |
DeclareParameter(Restraint_DisplacementSpringConstant, RealType); |
| 150 |
+ |
DeclareParameter(Restraint_RollSpringConstant, RealType); // phi |
| 151 |
+ |
DeclareParameter(Restraint_PitchSpringConstant, RealType); // theta |
| 152 |
+ |
DeclareParameter(Restraint_YawSpringConstant, RealType); // psi |
| 153 |
|
|
| 133 |
– |
|
| 154 |
|
public: |
| 155 |
|
bool addComponent(Component* comp); |
| 156 |
|
bool addZConsStamp(ZConsStamp* zcons); |
| 170 |
|
std::vector<ZConsStamp*> zconstraints_; |
| 171 |
|
std::map<std::string, MoleculeStamp*> moleculeStamps_; |
| 172 |
|
std::pair<int, int> taggedAtomPair_; |
| 153 |
– |
|
| 173 |
|
}; |
| 174 |
|
} |
| 175 |
|
#endif |
