--- trunk/src/io/Globals.cpp 2006/07/03 13:18:43 998 +++ trunk/src/io/Globals.cpp 2006/08/30 18:42:29 1024 @@ -57,7 +57,7 @@ Globals::Globals() { DefineOptionalParameter(Ensemble, "ensemble"); DefineOptionalParameter(Dt, "dt"); DefineOptionalParameter(RunTime, "runTime"); - DefineOptionalParameter(InitialConfig, "initialConfig"); + //DefineOptionalParameter(InitialConfig, "initialConfig"); DefineOptionalParameter(FinalConfig, "finalConfig"); DefineOptionalParameter(SampleTime, "sampleTime"); DefineOptionalParameter(ResetTime, "resetTime"); @@ -124,6 +124,7 @@ Globals::Globals() { deprecatedKeywords_.insert("nComponents"); deprecatedKeywords_.insert("nZconstraints"); + deprecatedKeywords_.insert("initialConfig"); } @@ -140,7 +141,7 @@ void Globals::validate() { CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPAT") || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT")); CheckParameter(Dt, isPositive()); CheckParameter(RunTime, isPositive()); - CheckParameter(InitialConfig, isNotEmpty()); + //CheckParameter(InitialConfig, isNotEmpty()); CheckParameter(FinalConfig, isNotEmpty()); CheckParameter(SampleTime, isNonNegative()); CheckParameter(ResetTime, isNonNegative()); @@ -149,7 +150,7 @@ void Globals::validate() { CheckParameter(SwitchingRadius, isNonNegative()); CheckParameter(Dielectric, isPositive()); CheckParameter(ThermalTime, isNonNegative()); - CheckParameter(TargetPressure, isPositive()); + // CheckParameter(TargetPressure, isPositive()); CheckParameter(TauThermostat, isPositive()); CheckParameter(TauBarostat, isPositive()); CheckParameter(ZconsTime, isPositive()); @@ -172,7 +173,7 @@ void Globals::validate() { CheckParameter(ThermIntDistSpringConst, isPositive()); CheckParameter(ThermIntThetaSpringConst, isPositive()); CheckParameter(ThermIntOmegaSpringConst, isPositive()); - CheckParameter(SurfaceTension, isNonNegative()); + // CheckParameter(SurfaceTension, isNonNegative()); CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD")); CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED")); CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL"));