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root/OpenMD/branches/devel_omp/src/io/Globals.cpp
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Comparing:
branches/development/src/io/Globals.cpp (file contents), Revision 1528 by gezelter, Fri Dec 17 20:11:05 2010 UTC vs.
branches/devel_omp/src/io/Globals.cpp (file contents), Revision 1599 by mciznick, Fri Jul 29 19:03:36 2011 UTC

# Line 108 | Line 108 | Globals::Globals() {
108    DefineOptionalParameter(MTM_R, "MTM_R");
109    DefineOptionalParameter(Alpha, "alpha");
110  
111 +  /* XXX */
112 +  DefineOptionalParameter(NeighborListReorderFreq, "neighborListReorderFreq");
113 +
114    
115    DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true);
116    DefineOptionalParameterWithDefaultValue(UseAtomicVirial, "useAtomicVirial", true);
# Line 146 | Line 149 | Globals::Globals() {
149    deprecatedKeywords_.insert("thermIntOmegaSpringConst");
150    deprecatedKeywords_.insert("useSolidThermInt");  
151    deprecatedKeywords_.insert("useLiquidThermInt");
149 –  deprecatedKeywords_.insert("cutoffPolicy");
152      
153   }
154  
# Line 192 | Line 194 | void Globals::validate() {
194    CheckParameter(ForceFieldVariant, isNotEmpty());
195    CheckParameter(ForceFieldFileName, isNotEmpty());
196    CheckParameter(CutoffMethod, isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE"));
197 +  CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL"));
198    CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD"));
199    CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED"));
200    CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL"));
# Line 208 | Line 211 | void Globals::validate() {
211    CheckParameter(RNEMD_exchangeType, isEqualIgnoreCase("KineticSwap") || isEqualIgnoreCase("KineticScale") || isEqualIgnoreCase("Px") || isEqualIgnoreCase("Py") || isEqualIgnoreCase("Pz") || isEqualIgnoreCase("PxScale") || isEqualIgnoreCase("PyScale") || isEqualIgnoreCase("PzScale"));
212    CheckParameter(RNEMD_targetFlux, isNonNegative());
213    CheckParameter(HULL_Method, isEqualIgnoreCase("Convex") || isEqualIgnoreCase("AlphaShape"));
214 <  CheckParameter(Alpha, isPositive());
214 >  CheckParameter(Alpha, isPositive());
215  
216 +  /* XXX */
217 +  CheckParameter(NeighborListReorderFreq, isNonNegative());
218    
219    for(std::vector<Component*>::iterator i = components_.begin(); i != components_.end(); ++i) {
220      if (!(*i)->findMoleculeStamp(moleculeStamps_)) {

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