--- trunk/src/io/Globals.cpp 2005/11/01 19:14:27 705 +++ trunk/src/io/Globals.cpp 2005/11/03 23:12:27 716 @@ -121,6 +121,7 @@ Globals::Globals(){ DefineOptionalParameter(SurfaceTension, "surfaceTension"); DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); DefineOptionalParameter(ElectrostaticSummationMethod, "electrostaticSummationMethod"); + DefineOptionalParameter(ElectrostaticScreeningMethod, "electrostaticScreeningMethod"); DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); DefineOptionalParameterWithDefaultValue(MixingRule, "mixingRule", "standard"); @@ -133,7 +134,7 @@ 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(SkinThickness, "skinThickness", 1.0); DefineOptionalParameterWithDefaultValue(StatFileFormat, "statFileFormat", "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY"); @@ -385,7 +386,8 @@ 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(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(StatFileFormat,); //CheckParameter(MixingRule,); @@ -393,7 +395,7 @@ char* Globals::checkMe( void ){ CheckParameter(ThermIntDistSpringConst, isPositive()); CheckParameter(ThermIntThetaSpringConst, isPositive()); CheckParameter(ThermIntOmegaSpringConst, isPositive()); - CheckParameter(DampingAlpha,isPositive()); + CheckParameter(DampingAlpha,isNonNegative()); CheckParameter(SkinThickness, isPositive()); //@todo memory leak