| 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); |
| 139 |
|
DeclareParameter(RNEMD_exchangeType, std::string); |
| 140 |
|
DeclareParameter(RNEMD_objectSelection, std::string); |
| 141 |
|
DeclareParameter(RNEMD_targetFlux, RealType); |
| 142 |
+ |
DeclareParameter(RNEMD_binShift, bool); |
| 143 |
+ |
DeclareParameter(RNEMD_outputDimensionalTemperature, bool); |
| 144 |
|
DeclareParameter(UseRestraints, bool); |
| 145 |
|
DeclareParameter(Restraint_file, std::string); |
| 146 |
|
DeclareParameter(HULL_Method, std::string); |