# | Line 98 | Line 98 | Globals::Globals() { | |
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98 | DefineOptionalParameter(ElectrostaticScreeningMethod, "electrostaticScreeningMethod"); | |
99 | DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); | |
100 | DefineOptionalParameter(SwitchingFunctionType, "switchingFunctionType"); | |
101 | – | DefineOptionalParameterWithDefaultValue(MixingRule, "mixingRule", "standard"); |
101 | DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true); | |
102 | DefineOptionalParameterWithDefaultValue(UseInitalTime, "useInitialTime", false); | |
103 | DefineOptionalParameterWithDefaultValue(UseIntialExtendedSystemState, "useInitialExtendedSystemState", false); | |
# | Line 171 | Line 170 | void Globals::validate() { | |
170 | CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL")); | |
171 | CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL")); | |
172 | //CheckParameter(StatFileFormat,); | |
174 | – | //CheckParameter(MixingRule,); |
173 | CheckParameter(OrthoBoxTolerance, isPositive()); | |
174 | CheckParameter(ThermIntDistSpringConst, isPositive()); | |
175 | CheckParameter(ThermIntThetaSpringConst, isPositive()); |
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