--- trunk/src/io/Globals.cpp 2006/10/18 21:58:48 1078 +++ trunk/src/io/Globals.cpp 2007/04/06 21:53:43 1126 @@ -65,7 +65,7 @@ Globals::Globals() { DefineOptionalParameter(SwitchingRadius, "switchingRadius"); DefineOptionalParameter(TempSet, "tempSet"); DefineOptionalParameter(ThermalTime, "thermalTime"); - DefineOptionalParameter(TargetPressure, "targetPressure"); + DefineOptionalParameter(TargetPressure, "targetPressure"); DefineOptionalParameter(TauThermostat, "tauThermostat"); DefineOptionalParameter(TauBarostat, "tauBarostat"); DefineOptionalParameter(ZconsTime, "zconsTime"); @@ -100,8 +100,15 @@ Globals::Globals() { DefineOptionalParameter(BeadSize, "beadSize"); DefineOptionalParameter(FrozenBufferRadius, "frozenBufferRadius"); DefineOptionalParameter(LangevinBufferRadius, "langevinBufferRadius"); + DefineOptionalParameter(NeighborListNeighbors,"NeighborListNeighbors"); + DefineOptionalParameter(TempDepViscosityA,"tempDepViscosityA"); + DefineOptionalParameter(TempDepViscosityB,"tempDepViscosityB"); + DefineOptionalParameter(TempDepViscosityC,"tempDepViscosityC"); + DefineOptionalParameter(TempDepViscosityD,"tempDepViscosityD"); + DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true); + DefineOptionalParameterWithDefaultValue(UseAtomicVirial, "useAtomicVirial", true); DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false); DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false); DefineOptionalParameterWithDefaultValue(OrthoBoxTolerance, "orthoBoxTolerance", 1E-6); @@ -184,6 +191,8 @@ void Globals::validate() { CheckParameter(BeadSize, isPositive()); CheckParameter(FrozenBufferRadius, isPositive()); CheckParameter(LangevinBufferRadius, isPositive()); + CheckParameter(NeighborListNeighbors, isPositive()); + for(std::vector::iterator i = components_.begin(); i != components_.end(); ++i) { if (!(*i)->findMoleculeStamp(moleculeStamps_)) { std::ostringstream oss;