# | Line 122 | Line 122 | Globals::Globals(){ | |
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122 | DefineOptionalParameter(PrintPressureTensor, "printPressureTensor"); | |
123 | DefineOptionalParameter(ElectrostaticSummationMethod, "electrostaticSummationMethod"); | |
124 | DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); | |
125 | – | DefineOptionalParameter(StatFileFormat, "statFileFormat"); |
125 | ||
126 | DefineOptionalParameterWithDefaultValue(MixingRule, "mixingRule", "standard"); | |
127 | DefineOptionalParameterWithDefaultValue(UsePeriodicBoundaryConditions, "usePeriodicBoundaryConditions", true); | |
# | Line 137 | Line 136 | Globals::Globals(){ | |
136 | DefineOptionalParameterWithDefaultValue(DampingAlpha, "dampingAlpha", 1.5); | |
137 | DefineOptionalParameterWithDefaultValue(CompressDumpFile, "compressDumpFile", 0); | |
138 | DefineOptionalParameterWithDefaultValue(SkinThickness, "skinThickness", 1.0); | |
139 | + | DefineOptionalParameterWithDefaultValue(StatFileFormat, "statFileFormat", "TIME|TOTAL_ENERGY|POTENTIAL_ENERGY|KINETIC_ENERGY|TEMPERATURE|PRESSURE|VOLUME|CONSERVED_QUANTITY"); |
140 | + | |
141 | ||
142 | } | |
143 | ||
# | Line 341 | Line 342 | char* Globals::checkMe( void ){ | |
342 | CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) || | |
343 | isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf"))|| | |
344 | isEqualIgnoreCase(std::string("NPTxyz")) ); | |
344 | – | |
345 | CheckParameter(Dt, isPositive()); | |
346 | CheckParameter(RunTime, isPositive()); | |
347 | CheckParameter(InitialConfig, isNotEmpty()); |
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