--- trunk/src/io/Globals.cpp 2014/04/29 17:32:31 1993 +++ trunk/src/io/Globals.cpp 2015/03/03 15:22:26 2057 @@ -91,6 +91,13 @@ namespace OpenMD { DefineOptionalParameter(SurfaceTension, "surfaceTension"); DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); DefineOptionalParameter(ElectricField, "electricField"); + DefineOptionalParameter(UniformField, "uniformField"); + DefineOptionalParameter(UniformGradientStrength, "uniformGradientStrength"); + DefineOptionalParameter(UniformGradientDirection1, "uniformGradientDirection1"); + DefineOptionalParameter(UniformGradientDirection2, "uniformGradientDirection2"); + //DefineOptionalParameter(PeriodicField, "periodicField"); + //DefineOptionalParameter(PeriodicFieldStrength, "periodicFieldStrength"); + DefineOptionalParameter(TaggedAtomPair, "taggedAtomPair"); DefineOptionalParameter(PrintTaggedPairDistance, "printTaggedPairDistance"); @@ -158,6 +165,8 @@ namespace OpenMD { false); DefineOptionalParameterWithDefaultValue(AccumulateBoxDipole, "accumulateBoxDipole", false); + DefineOptionalParameterWithDefaultValue(AccumulateBoxQuadrupole, + "accumulateBoxQuadrupole", false); DefineOptionalParameterWithDefaultValue(UseRestraints, "useRestraints", false); DefineOptionalParameterWithDefaultValue(Restraint_file, "Restraint_file", @@ -182,8 +191,8 @@ namespace OpenMD { deprecatedKeywords_.insert("minimizerGTol"); deprecatedKeywords_.insert("minimizerLSTol"); deprecatedKeywords_.insert("minimizerLSMaxIter"); - - + deprecatedKeywords_.insert("electricField"); + deprecatedKeywords_.insert("cutoffPolicy"); } Globals::~Globals() { @@ -204,6 +213,7 @@ namespace OpenMD { isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") || isEqualIgnoreCase("NPTsz") || isEqualIgnoreCase("NPAT") || + isEqualIgnoreCase("NPA") || isEqualIgnoreCase("LANGEVINDYNAMICS") || isEqualIgnoreCase("LD") || isEqualIgnoreCase("NPRT") || isEqualIgnoreCase("NPGT") || isEqualIgnoreCase("NGammaT") || @@ -237,17 +247,16 @@ namespace OpenMD { isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("TAYLOR_SHIFTED") || isEqualIgnoreCase("EWALD_FULL")); - CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || - isEqualIgnoreCase("MAX") || - isEqualIgnoreCase("TRADITIONAL")); CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || - isEqualIgnoreCase("HARD") || isEqualIgnoreCase("SWITCHED") || + isEqualIgnoreCase("HARD") || + isEqualIgnoreCase("SWITCHED") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD") || isEqualIgnoreCase("TAYLOR_SHIFTED")); CheckParameter(ElectrostaticScreeningMethod, - isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED")); + isEqualIgnoreCase("UNDAMPED") || + isEqualIgnoreCase("DAMPED")); CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL")); CheckParameter(OrthoBoxTolerance, isPositive());