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); |
153 |
|
DeclareParameter(RNEMD_outputTemperature, bool); |
154 |
|
DeclareParameter(RNEMD_outputVx, bool); |
155 |
|
DeclareParameter(RNEMD_outputVy, bool); |
156 |
+ |
// James put this in. |
157 |
+ |
DeclareParameter(RNEMD_outputDen, bool); |
158 |
+ |
DeclareParameter(RNEMD_outputVz, bool); |
159 |
+ |
DeclareParameter(RNEMD_outputAh, bool); |
160 |
|
DeclareParameter(RNEMD_outputXyzTemperature, bool); |
161 |
|
DeclareParameter(RNEMD_outputRotTemperature, bool); |
162 |
|
DeclareParameter(UseRestraints, bool); |