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root/OpenMD/branches/development/src/io/Globals.cpp
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Comparing trunk/src/io/Globals.cpp (file contents):
Revision 1078 by gezelter, Wed Oct 18 21:58:48 2006 UTC vs.
Revision 1147 by chuckv, Wed Jul 4 04:47:53 2007 UTC

# Line 65 | Line 65 | Globals::Globals() {
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");
# Line 100 | Line 100 | Globals::Globals() {
100    DefineOptionalParameter(BeadSize, "beadSize");
101    DefineOptionalParameter(FrozenBufferRadius, "frozenBufferRadius");
102    DefineOptionalParameter(LangevinBufferRadius, "langevinBufferRadius");
103 +  DefineOptionalParameter(NeighborListNeighbors,"NeighborListNeighbors");
104    
105 +  
106    DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true);
107 +  DefineOptionalParameterWithDefaultValue(UseAtomicVirial, "useAtomicVirial", true);
108    DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false);
109    DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false);
110    DefineOptionalParameterWithDefaultValue(OrthoBoxTolerance, "orthoBoxTolerance", 1E-6);  
# Line 184 | Line 187 | void Globals::validate() {
187    CheckParameter(BeadSize, isPositive());
188    CheckParameter(FrozenBufferRadius, isPositive());
189    CheckParameter(LangevinBufferRadius, isPositive());
190 +  CheckParameter(NeighborListNeighbors, isPositive());
191 +
192    for(std::vector<Component*>::iterator i = components_.begin(); i != components_.end(); ++i) {
193      if (!(*i)->findMoleculeStamp(moleculeStamps_)) {
194          std::ostringstream oss;

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