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root/OpenMD/branches/development/src/io/Globals.hpp
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Comparing branches/development/src/io/Globals.hpp (file contents):
Revision 1731 by gezelter, Thu May 31 12:25:30 2012 UTC vs.
Revision 1780 by jmarr, Mon Aug 20 18:28:22 2012 UTC

# Line 56 | Line 56
56   #include "types/MoleculeStamp.hpp"
57   #include "flucq/FluctuatingChargeParameters.hpp"
58   #include "rnemd/RNEMDParameters.hpp"
59 + #include "optimization/MinimizerParameters.hpp"
60   #include "utils/ParameterManager.hpp"
61  
62   namespace OpenMD {
# Line 91 | Line 92 | namespace OpenMD {
92      DeclareParameter(UseInitalTime, bool);
93      DeclareParameter(UseIntialExtendedSystemState, bool);
94      DeclareParameter(OrthoBoxTolerance, RealType);
94 –    DeclareParameter(Minimizer, std::string);
95 –    DeclareParameter(MinimizerMaxIter, RealType);
96 –    DeclareParameter(MinimizerWriteFreq, int);
97 –    DeclareParameter(MinimizerStepSize, RealType);
98 –    DeclareParameter(MinimizerFTol, RealType);
99 –    DeclareParameter(MinimizerGTol, RealType);
100 –    DeclareParameter(MinimizerLSTol, RealType);
101 –    DeclareParameter(MinimizerLSMaxIter, int);
95      DeclareParameter(ZconsGap, RealType);
96      DeclareParameter(ZconsFixtime, RealType);
97      DeclareParameter(ZconsUsingSMD, bool);
# Line 145 | Line 138 | namespace OpenMD {
138      DeclareParameter(HULL_Method, std::string);
139      DeclareParameter(Alpha, RealType);
140      DeclareAlterableParameter(MDfileVersion, int);
141 +    DeclareParameter(ElectricField, OpenMD::Vector3d);
142  
143    public:
144      bool addComponent(Component* comp);
# Line 168 | Line 162 | namespace OpenMD {
162  
163      bool addRNEMDParameters(RNEMDParameters* rnemdPars);
164      RNEMDParameters* getRNEMDParameters() {return rnemdPars_;}
165 +
166 +    bool addMinimizerParameters(MinimizerParameters* miniPars);
167 +    MinimizerParameters* getMinimizerParameters() {return minimizerPars_;}
168      
169      virtual void validate();
170    private:
# Line 179 | Line 176 | namespace OpenMD {
176      std::pair<int, int> taggedAtomPair_;
177      FluctuatingChargeParameters* flucQpars_;
178      RNEMDParameters* rnemdPars_;
179 +    MinimizerParameters* minimizerPars_;
180   };
181   }
182   #endif

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