| 121 |
|
DefineOptionalParameter(SurfaceTension, "surfaceTension"); |
| 122 |
|
DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); |
| 123 |
|
DefineOptionalParameter(ElectrostaticSummationMethod, "electrostaticSummationMethod"); |
| 124 |
+ |
DefineOptionalParameter(ScreeningMethod, "screeningMethod"); |
| 125 |
|
DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); |
| 126 |
|
|
| 127 |
|
DefineOptionalParameterWithDefaultValue(MixingRule, "mixingRule", "standard"); |
| 386 |
|
CheckParameter(ThermIntThetaSpringConst, isPositive()); |
| 387 |
|
CheckParameter(ThermIntOmegaSpringConst, isPositive()); |
| 388 |
|
CheckParameter(SurfaceTension, isPositive()); |
| 389 |
< |
CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("UNDAMPED_WOLF")) || isEqualIgnoreCase(std::string("DAMPED_WOLF")) || isEqualIgnoreCase(std::string("REACTION_FIELD")) ); |
| 389 |
> |
CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || isEqualIgnoreCase(std::string("REACTION_FIELD"))); |
| 390 |
> |
CheckParameter(ScreeningMethod, isEqualIgnoreCase(std::string("UNDAMPED")) || isEqualIgnoreCase(std::string("DAMPED"))); |
| 391 |
|
CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL"))); |
| 392 |
|
//CheckParameter(StatFileFormat,); |
| 393 |
|
//CheckParameter(MixingRule,); |