| 91 | 
  | 
  DefineOptionalParameter(DampingAlpha, "dampingAlpha"); | 
| 92 | 
  | 
  DefineOptionalParameter(SurfaceTension, "surfaceTension"); | 
| 93 | 
  | 
  DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); | 
| 94 | 
+ | 
  DefineOptionalParameter(PrintHeatFlux, "printHeatFlux"); | 
| 95 | 
  | 
  DefineOptionalParameter(TaggedAtomPair, "taggedAtomPair"); | 
| 96 | 
  | 
  DefineOptionalParameter(PrintTaggedPairDistance, "printTaggedPairDistance"); | 
| 97 | 
  | 
  DefineOptionalParameter(SwitchingFunctionType, "switchingFunctionType"); | 
| 144 | 
  | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputTemperature, "RNEMD_outputTemperature", false); | 
| 145 | 
  | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputVx, "RNEMD_outputVx", false); | 
| 146 | 
  | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputVy, "RNEMD_outputVy", false); | 
| 147 | 
+ | 
  // James put this in. | 
| 148 | 
+ | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputDen, "RNEMD_outputDen", false); | 
| 149 | 
+ | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputAh, "RNEMD_outputAh", false); | 
| 150 | 
+ | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputVz, "RNEMD_outputVz", false);   | 
| 151 | 
  | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputXyzTemperature, "RNEMD_outputXyzTemperature", false); | 
| 152 | 
  | 
  DefineOptionalParameterWithDefaultValue(RNEMD_outputRotTemperature, "RNEMD_outputRotTemperature", false); | 
| 153 | 
  | 
 |