| 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 |
|
|