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root/OpenMD/branches/development/src/rnemd/RNEMD.hpp
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Comparing trunk/src/integrators/RNEMD.hpp (file contents):
Revision 1329 by gezelter, Sat Mar 14 01:23:53 2009 UTC vs.
Revision 1331 by gezelter, Thu Apr 2 16:04:52 2009 UTC

# Line 51 | Line 51
51   #define INTEGRATORS_RNEMD_HPP
52   #include "brains/SimInfo.hpp"
53   #include "math/RandNumGen.hpp"
54 + #include "selection/SelectionEvaluator.hpp"
55 + #include "selection/SelectionManager.hpp"
56  
57   namespace oopse {
58  
# Line 65 | Line 67 | namespace oopse {
67          
68      void doSwap();
69      void set_RNEMD_swapTime(RealType swapTime) { swapTime_ = swapTime; }
68 –    void set_RNEMD_swapType(const std::string &str);
70      void set_RNEMD_nBins(int nbins) { nBins_ = nbins; }
71      RealType get_RNEMD_exchange_total() { return exchangeSum_; }
72      void set_RNEMD_exchange_total(RealType et) {exchangeSum_ = et;}
73 <        
73 >
74    private:
75 <        
75 >
76      enum RNEMDTypeEnum {
77        rnemdKinetic,
78        rnemdPx,
# Line 86 | Line 87 | namespace oopse {
87      RealType swapTime_;
88      RealType exchangeSum_;
89      RNEMDTypeEnum rnemdType_;
90 +    std::map<std::string, RNEMDTypeEnum> stringToEnumMap_;
91 +    std::string rnemdObjectSelection_;
92 +    SelectionManager seleMan_;
93 +    SelectionEvaluator evaluator_;
94 +    bool usePeriodicBoundaryConditions_;
95  
96    };
97  

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