| 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_targetJzKE, RealType); |
| 144 |
+ |
DeclareParameter(RNEMD_targetJzpx, RealType); |
| 145 |
+ |
DeclareParameter(RNEMD_targetJzpy, RealType); |
| 146 |
+ |
DeclareParameter(RNEMD_targetJzpz, RealType); |
| 147 |
+ |
DeclareParameter(RNEMD_binShift, bool); |
| 148 |
+ |
DeclareParameter(RNEMD_outputTemperature, bool); |
| 149 |
+ |
DeclareParameter(RNEMD_outputVx, bool); |
| 150 |
+ |
DeclareParameter(RNEMD_outputVy, bool); |
| 151 |
+ |
DeclareParameter(RNEMD_outputXyzTemperature, bool); |
| 152 |
+ |
DeclareParameter(RNEMD_outputRotTemperature, bool); |
| 153 |
|
DeclareParameter(UseRestraints, bool); |
| 154 |
|
DeclareParameter(Restraint_file, std::string); |
| 155 |
|
DeclareParameter(HULL_Method, std::string); |