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root/OpenMD/trunk/src/flucq/FluctuatingChargeConstraints.hpp
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Comparing trunk/src/flucq/FluctuatingChargeConstraints.hpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1913 by jmichalk, Wed Jul 24 20:00:51 2013 UTC

# Line 50 | Line 50 | namespace OpenMD {
50    class FluctuatingChargeConstraints {
51    public:
52      FluctuatingChargeConstraints(SimInfo* info);
53 +    void setConstrainRegions(bool cr);
54      void applyConstraints();
55  
56    protected:
57 +    void initialize();
58      SimInfo* info_;
59 +    bool initialized_;
60      bool hasFlucQ_;
61 +    bool constrainRegions_;
62 +    std::vector<int> regionKeys_;
63 +    std::vector<RealType> regionForce_;
64 +    std::vector<int> regionCharges_;
65    };
66   }
67   #endif

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