90 |
|
DeclareParameter(OrthoBoxTolerance, RealType); |
91 |
|
DeclareParameter(Minimizer, std::string); |
92 |
|
DeclareParameter(MinimizerMaxIter, RealType); |
93 |
< |
DeclareParameter(MinimizerWriteFrq, int); |
93 |
> |
DeclareParameter(MinimizerWriteFreq, int); |
94 |
|
DeclareParameter(MinimizerStepSize, RealType); |
95 |
|
DeclareParameter(MinimizerFTol, RealType); |
96 |
|
DeclareParameter(MinimizerGTol, RealType); |
116 |
|
DeclareParameter(SwitchingFunctionType, std::string); |
117 |
|
DeclareParameter(CompressDumpFile, bool); |
118 |
|
DeclareParameter(OutputForceVector, bool); |
119 |
+ |
DeclareParameter(OutputParticlePotential, bool); |
120 |
|
DeclareParameter(SkinThickness, RealType); |
121 |
|
DeclareParameter(StatFileFormat, std::string); |
122 |
|
DeclareParameter(HydroPropFile, std::string); |
140 |
|
DeclareParameter(RNEMD_exchangeType, std::string); |
141 |
|
DeclareParameter(RNEMD_objectSelection, std::string); |
142 |
|
DeclareParameter(RNEMD_targetFlux, RealType); |
143 |
+ |
DeclareParameter(RNEMD_binShift, bool); |
144 |
+ |
DeclareParameter(RNEMD_outputDimensionalTemperature, bool); |
145 |
|
DeclareParameter(UseRestraints, bool); |
146 |
|
DeclareParameter(Restraint_file, std::string); |
147 |
|
DeclareParameter(HULL_Method, std::string); |