| 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); |