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); |
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()); |