--- trunk/src/io/Globals.cpp	2005/11/01 19:14:27	705
+++ trunk/src/io/Globals.cpp	2005/11/11 15:22:11	726
@@ -121,8 +121,9 @@ Globals::Globals(){
   DefineOptionalParameter(SurfaceTension, "surfaceTension");
   DefineOptionalParameter(PrintPressureTensor, "printPressureTensor");
   DefineOptionalParameter(ElectrostaticSummationMethod, "electrostaticSummationMethod");
+  DefineOptionalParameter(ElectrostaticScreeningMethod, "electrostaticScreeningMethod");
   DefineOptionalParameter(CutoffPolicy, "cutoffPolicy");
-  
+  DefineOptionalParameter(SwitchingFunctionType, "switchingFunctionType");
   DefineOptionalParameterWithDefaultValue(MixingRule, "mixingRule", "standard");
   DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true);
   DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false);
@@ -133,8 +134,9 @@ Globals::Globals(){
   DefineOptionalParameterWithDefaultValue(ThermIntDistSpringConst, "thermIntDistSpringConst", 6.0);
   DefineOptionalParameterWithDefaultValue(ThermIntThetaSpringConst, "thermIntThetaSpringConst", 7.5);
   DefineOptionalParameterWithDefaultValue(ThermIntOmegaSpringConst, "thermIntOmegaSpringConst", 13.5);
-  DefineOptionalParameterWithDefaultValue(DampingAlpha, "dampingAlpha", 1.5);
+  DefineOptionalParameterWithDefaultValue(DampingAlpha, "dampingAlpha", 0.2);
   DefineOptionalParameterWithDefaultValue(CompressDumpFile, "compressDumpFile", 0);
+  DefineOptionalParameterWithDefaultValue(OutputForceVector, "outputForceVector", 0);
   DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0);
   DefineOptionalParameterWithDefaultValue(StatFileFormat, "statFileFormat", "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY");    
 
@@ -339,9 +341,11 @@ char* Globals::checkMe( void ){
   CheckParameter(ForceField, isNotEmpty());
   CheckParameter(NComponents,isPositive()); 
   CheckParameter(TargetTemp, isPositive());
-  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) ||
-                                          isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf"))|| 
-                                          isEqualIgnoreCase(std::string("NPTxyz")) );
+  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || 
+		 isEqualIgnoreCase(std::string("NVT")) ||
+		 isEqualIgnoreCase(std::string("NPTi")) || 
+		 isEqualIgnoreCase(std::string("NPTf")) || 
+		 isEqualIgnoreCase(std::string("NPTxyz")) );
   CheckParameter(Dt, isPositive());
   CheckParameter(RunTime, isPositive());
   CheckParameter(InitialConfig, isNotEmpty());
@@ -367,7 +371,8 @@ char* Globals::checkMe( void ){
   CheckParameter(ZconsTol, isPositive());
   //CheckParameter(ZconsForcePolicy,);
   CheckParameter(Seed, isPositive());
-  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || isEqualIgnoreCase(std::string("CG")));
+  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || 
+		 isEqualIgnoreCase(std::string("CG")));
   CheckParameter(MinimizerMaxIter, isPositive());
   CheckParameter(MinimizerWriteFrq, isPositive());
   CheckParameter(MinimizerStepSize, isPositive());
@@ -385,15 +390,27 @@ char* Globals::checkMe( void ){
   CheckParameter(ThermIntThetaSpringConst, isPositive());
   CheckParameter(ThermIntOmegaSpringConst, isPositive());
   CheckParameter(SurfaceTension, isPositive());
-  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("UNDAMPED_WOLF")) || isEqualIgnoreCase(std::string("DAMPED_WOLF")) || isEqualIgnoreCase(std::string("REACTION_FIELD")) );
-  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL")));
+  CheckParameter(ElectrostaticSummationMethod, 
+		 isEqualIgnoreCase(std::string("NONE")) || 
+		 isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || 
+		 isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || 
+		 isEqualIgnoreCase(std::string("REACTION_FIELD")));
+  CheckParameter(ElectrostaticScreeningMethod, 
+		 isEqualIgnoreCase(std::string("UNDAMPED")) || 
+		 isEqualIgnoreCase(std::string("DAMPED"))); 
+  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || 
+		 isEqualIgnoreCase(std::string("MAX")) || 
+		 isEqualIgnoreCase(std::string("TRADITIONAL")));
+  CheckParameter(SwitchingFunctionType, 
+		 isEqualIgnoreCase(std::string("CUBIC")) || 
+		 isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
   //CheckParameter(StatFileFormat,);     
   //CheckParameter(MixingRule,);
   CheckParameter(OrthoBoxTolerance, isPositive());  
   CheckParameter(ThermIntDistSpringConst, isPositive());
   CheckParameter(ThermIntThetaSpringConst, isPositive());
   CheckParameter(ThermIntOmegaSpringConst, isPositive());
-  CheckParameter(DampingAlpha,isPositive());
+  CheckParameter(DampingAlpha,isNonNegative());
   CheckParameter(SkinThickness, isPositive());
   
   //@todo memory leak