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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 945 by gezelter, Tue Apr 25 02:09:01 2006 UTC vs.
Revision 1023 by xsun, Thu Aug 24 17:42:35 2006 UTC

# Line 119 | Line 119 | Globals::Globals() {
119    DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0);
120    DefineOptionalParameterWithDefaultValue(StatFileFormat, "statFileFormat", "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY");    
121    DefineOptionalParameterWithDefaultValue(UseSphericalBoundaryConditions, "useSphericalBoundaryConditions", false);
122 +  DefineOptionalParameterWithDefaultValue(AccumulateBoxDipole, "accumulateBoxDipole", false);
123  
124  
125      deprecatedKeywords_.insert("nComponents");
# Line 148 | Line 149 | void Globals::validate() {
149    CheckParameter(SwitchingRadius, isNonNegative());
150    CheckParameter(Dielectric, isPositive());
151    CheckParameter(ThermalTime,  isNonNegative());
152 <  CheckParameter(TargetPressure,  isPositive());
152 >  //  CheckParameter(TargetPressure,  isPositive());
153    CheckParameter(TauThermostat, isPositive());
154    CheckParameter(TauBarostat, isPositive());
155    CheckParameter(ZconsTime, isPositive());
# Line 164 | Line 165 | void Globals::validate() {
165    CheckParameter(MinimizerLSMaxIter, isPositive());
166    CheckParameter(ZconsGap, isPositive());
167    CheckParameter(ZconsFixtime, isPositive());
168 <  CheckParameter(ThermodynamicIntegrationLambda, isPositive());
168 >  CheckParameter(ThermodynamicIntegrationLambda, isNonNegative());
169    CheckParameter(ThermodynamicIntegrationK, isPositive());
170    CheckParameter(ForceFieldVariant, isNotEmpty());
171    CheckParameter(ForceFieldFileName, isNotEmpty());
172    CheckParameter(ThermIntDistSpringConst, isPositive());
173    CheckParameter(ThermIntThetaSpringConst, isPositive());
174    CheckParameter(ThermIntOmegaSpringConst, isPositive());
175 <  CheckParameter(SurfaceTension, isNonNegative());
175 >  //  CheckParameter(SurfaceTension, isNonNegative());
176    CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD"));
177    CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED"));
178    CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL"));

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