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); |
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 |
|
|
154 |
|
public: |
155 |
|
bool addComponent(Component* comp); |