| 65 |  | DefineOptionalParameter(SwitchingRadius, "switchingRadius"); | 
| 66 |  | DefineOptionalParameter(TempSet, "tempSet"); | 
| 67 |  | DefineOptionalParameter(ThermalTime, "thermalTime"); | 
| 68 | < | DefineOptionalParameter(TargetPressure, "targetPressure"); | 
| 68 | > | DefineOptionalParameter(TargetPressure, "targetPressure"); | 
| 69 |  | DefineOptionalParameter(TauThermostat, "tauThermostat"); | 
| 70 |  | DefineOptionalParameter(TauBarostat, "tauBarostat"); | 
| 71 |  | DefineOptionalParameter(ZconsTime, "zconsTime"); | 
| 108 |  |  | 
| 109 |  |  | 
| 110 |  | DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true); | 
| 111 | + | DefineOptionalParameterWithDefaultValue(UseAtomicVirial, "useAtomicVirial", true); | 
| 112 |  | DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false); | 
| 113 |  | DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false); | 
| 114 |  | DefineOptionalParameterWithDefaultValue(OrthoBoxTolerance, "orthoBoxTolerance", 1E-6); |