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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 1291 by gezelter, Thu Sep 11 19:40:59 2008 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 93 | Line 93 | Globals::Globals() {
93    DefineOptionalParameter(ThermIntOmegaSpringConst, "thermIntOmegaSpringConst");
94    DefineOptionalParameter(SurfaceTension, "surfaceTension");
95    DefineOptionalParameter(PrintPressureTensor, "printPressureTensor");
96 +  DefineOptionalParameter(TaggedAtomPair, "taggedAtomPair");
97 +  DefineOptionalParameter(PrintTaggedPairDistance, "printTaggedPairDistance");
98    DefineOptionalParameter(CutoffPolicy, "cutoffPolicy");
99    DefineOptionalParameter(SwitchingFunctionType, "switchingFunctionType");
100    DefineOptionalParameter(HydroPropFile, "HydroPropFile");
# Line 100 | Line 102 | Globals::Globals() {
102    DefineOptionalParameter(BeadSize, "beadSize");
103    DefineOptionalParameter(FrozenBufferRadius, "frozenBufferRadius");
104    DefineOptionalParameter(LangevinBufferRadius, "langevinBufferRadius");
105 +  DefineOptionalParameter(NeighborListNeighbors,"NeighborListNeighbors");
106    
107 +  
108    DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true);
109 +  DefineOptionalParameterWithDefaultValue(UseAtomicVirial, "useAtomicVirial", true);
110    DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false);
111    DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false);
112    DefineOptionalParameterWithDefaultValue(OrthoBoxTolerance, "orthoBoxTolerance", 1E-6);  
# Line 184 | Line 189 | void Globals::validate() {
189    CheckParameter(BeadSize, isPositive());
190    CheckParameter(FrozenBufferRadius, isPositive());
191    CheckParameter(LangevinBufferRadius, isPositive());
192 +  CheckParameter(NeighborListNeighbors, isPositive());
193 +
194    for(std::vector<Component*>::iterator i = components_.begin(); i != components_.end(); ++i) {
195      if (!(*i)->findMoleculeStamp(moleculeStamps_)) {
196          std::ostringstream oss;

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