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root/OpenMD/branches/development/src/io/Globals.cpp
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Comparing branches/development/src/io/Globals.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1576 by gezelter, Wed Jun 8 16:05:07 2011 UTC

# Line 92 | Line 92 | Globals::Globals() {
92    DefineOptionalParameter(PrintPressureTensor, "printPressureTensor");
93    DefineOptionalParameter(TaggedAtomPair, "taggedAtomPair");
94    DefineOptionalParameter(PrintTaggedPairDistance, "printTaggedPairDistance");
95 –  DefineOptionalParameter(CutoffPolicy, "cutoffPolicy");
95    DefineOptionalParameter(SwitchingFunctionType, "switchingFunctionType");
96    DefineOptionalParameter(HydroPropFile, "HydroPropFile");
97    DefineOptionalParameter(Viscosity, "viscosity");
# Line 101 | Line 100 | Globals::Globals() {
100    DefineOptionalParameter(LangevinBufferRadius, "langevinBufferRadius");
101    DefineOptionalParameter(NeighborListNeighbors,"NeighborListNeighbors");
102    DefineOptionalParameter(UseMultipleTemperatureMethod, "useMultipleTemperatureMethod");
103 +  DefineOptionalParameter(ElectrostaticSummationMethod, "electrostaticSummationMethod");
104    DefineOptionalParameter(MTM_Ce, "MTM_Ce");
105    DefineOptionalParameter(MTM_G, "MTM_G");
106    DefineOptionalParameter(MTM_Io, "MTM_Io");
# Line 114 | Line 114 | Globals::Globals() {
114    DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false);
115    DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false);
116    DefineOptionalParameterWithDefaultValue(OrthoBoxTolerance, "orthoBoxTolerance", 1E-6);  
117 <  DefineOptionalParameterWithDefaultValue(ElectrostaticSummationMethod, "electrostaticSummationMethod", "SHIFTED_FORCE");
117 >  DefineOptionalParameterWithDefaultValue(CutoffMethod, "cutoffMethod", "SHIFTED_FORCE");
118    DefineOptionalParameterWithDefaultValue(ElectrostaticScreeningMethod, "electrostaticScreeningMethod", "DAMPED");
119 <  DefineOptionalParameterWithDefaultValue(Dielectric, "dielectric", 78.5);
119 >  DefineOptionalParameterWithDefaultValue(Dielectric, "dielectric", 80.0);
120    DefineOptionalParameterWithDefaultValue(CompressDumpFile, "compressDumpFile", 0);
121    DefineOptionalParameterWithDefaultValue(OutputForceVector, "outputForceVector", 0);
122    DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0);
# Line 137 | Line 137 | Globals::Globals() {
137    DefineOptionalParameterWithDefaultValue(HULL_Method,"HULL_Method","Convex");
138  
139  
140 +
141    deprecatedKeywords_.insert("nComponents");
142    deprecatedKeywords_.insert("nZconstraints");
143    deprecatedKeywords_.insert("initialConfig");
# Line 189 | Line 190 | void Globals::validate() {
190    CheckParameter(ThermodynamicIntegrationK, isPositive());
191    CheckParameter(ForceFieldVariant, isNotEmpty());
192    CheckParameter(ForceFieldFileName, isNotEmpty());
193 <  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD"));
193 <  CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED"));
193 >  CheckParameter(CutoffMethod, isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE"));
194    CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL"));
195 +  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD"));
196 +  CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED"));
197    CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL"));
196 –  //CheckParameter(StatFileFormat,);    
198    CheckParameter(OrthoBoxTolerance, isPositive());  
199    CheckParameter(DampingAlpha,isNonNegative());
200    CheckParameter(SkinThickness, isPositive());

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