107 |
|
DeclareParameter(ForceFieldFileName, std::string); |
108 |
|
DeclareParameter(SurfaceTension, RealType); |
109 |
|
DeclareParameter(PrintPressureTensor, bool); |
110 |
+ |
DeclareParameter(PrintHeatFlux, bool); |
111 |
|
DeclareParameter(TaggedAtomPair, intPair); |
112 |
|
DeclareParameter(PrintTaggedPairDistance, bool); |
113 |
|
DeclareParameter(ElectrostaticSummationMethod, std::string); |
145 |
|
DeclareParameter(RNEMD_exchangeType, std::string); |
146 |
|
DeclareParameter(RNEMD_objectSelection, std::string); |
147 |
|
DeclareParameter(RNEMD_targetFlux, RealType); |
148 |
+ |
DeclareParameter(RNEMD_targetJzKE, RealType); |
149 |
+ |
DeclareParameter(RNEMD_targetJzpx, RealType); |
150 |
+ |
DeclareParameter(RNEMD_targetJzpy, RealType); |
151 |
+ |
DeclareParameter(RNEMD_targetJzpz, RealType); |
152 |
|
DeclareParameter(RNEMD_binShift, bool); |
153 |
< |
DeclareParameter(RNEMD_outputDimensionalTemperature, bool); |
153 |
> |
DeclareParameter(RNEMD_outputTemperature, bool); |
154 |
> |
DeclareParameter(RNEMD_outputVx, bool); |
155 |
> |
DeclareParameter(RNEMD_outputVy, bool); |
156 |
> |
DeclareParameter(RNEMD_outputXyzTemperature, bool); |
157 |
> |
DeclareParameter(RNEMD_outputRotTemperature, bool); |
158 |
|
DeclareParameter(UseRestraints, bool); |
159 |
|
DeclareParameter(Restraint_file, std::string); |
160 |
|
DeclareParameter(HULL_Method, std::string); |