--- trunk/src/io/Globals.cpp 2010/01/08 17:15:27 1402 +++ trunk/src/io/Globals.cpp 2010/10/26 14:27:28 1519 @@ -74,7 +74,7 @@ Globals::Globals() { DefineOptionalParameter(Seed, "seed"); DefineOptionalParameter(Minimizer, "minimizer"); DefineOptionalParameter(MinimizerMaxIter,"minimizerMaxIter"); - DefineOptionalParameter(MinimizerWriteFrq, "minimizerWriteFrq"); + DefineOptionalParameter(MinimizerWriteFreq, "minimizerWriteFreq"); DefineOptionalParameter(MinimizerStepSize, "minimizerStepSize"); DefineOptionalParameter(MinimizerFTol, "minimizerFTol"); DefineOptionalParameter(MinimizerGTol, "minimizerGTol"); @@ -159,7 +159,7 @@ void Globals::validate() { CheckParameter(ForceField, isNotEmpty()); CheckParameter(TargetTemp, isPositive()); - CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPAT") || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || isEqualIgnoreCase("NGT") || isEqualIgnoreCase("SMIPD")); + CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPTsz") || isEqualIgnoreCase("NPAT") || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || isEqualIgnoreCase("NGT") || isEqualIgnoreCase("SMIPD")); CheckParameter(Dt, isPositive()); CheckParameter(RunTime, isPositive()); CheckParameter(FinalConfig, isNotEmpty()); @@ -177,7 +177,7 @@ void Globals::validate() { CheckParameter(Seed, isPositive()); CheckParameter(Minimizer, isEqualIgnoreCase("SD") || isEqualIgnoreCase("CG")); CheckParameter(MinimizerMaxIter, isPositive()); - CheckParameter(MinimizerWriteFrq, isPositive()); + CheckParameter(MinimizerWriteFreq, isPositive()); CheckParameter(MinimizerStepSize, isPositive()); CheckParameter(MinimizerFTol, isPositive()); CheckParameter(MinimizerGTol, isPositive());