--- trunk/src/io/Globals.cpp 2014/04/14 18:32:51 1981 +++ trunk/src/io/Globals.cpp 2014/08/06 19:27:37 2011 @@ -146,6 +146,8 @@ namespace OpenMD { "outputElectricField", false); DefineOptionalParameterWithDefaultValue(OutputFluctuatingCharges, "outputFluctuatingCharges", false); + DefineOptionalParameterWithDefaultValue(OutputSitePotential, + "outputSitePotential", false); DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0); DefineOptionalParameterWithDefaultValue(StatFileFormat, @@ -202,6 +204,7 @@ 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") ||