--- branches/development/src/flucq/FluctuatingChargeParameters.cpp 2012/07/03 20:34:33 1765 +++ branches/development/src/flucq/FluctuatingChargeParameters.cpp 2012/07/05 17:08:25 1766 @@ -54,6 +54,7 @@ namespace OpenMD { DefineOptionalParameterWithDefaultValue(MaxIterations, "maxIterations", 100); DefineOptionalParameterWithDefaultValue(TargetTemp, "targetTemp", 1.0e-6); DefineOptionalParameterWithDefaultValue(TauThermostat, "tauThermostat", 10.0); + DefineOptionalParameterWithDefaultValue(DragCoefficient, "dragCoefficient", 0.01); } FluctuatingChargeParameters::~FluctuatingChargeParameters() { @@ -66,6 +67,7 @@ namespace OpenMD { CheckParameter(MaxIterations, isPositive()); CheckParameter(TargetTemp, isNonNegative()); CheckParameter(TauThermostat, isPositive()); + CheckParameter(DragCoefficient, isPositive()); } }