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root/OpenMD/trunk/src/flucq/FluctuatingChargePropagator.hpp
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Comparing:
branches/development/src/integrators/FluctuatingChargePropagator.hpp (file contents), Revision 1718 by gezelter, Thu May 24 01:29:59 2012 UTC vs.
branches/development/src/flucq/FluctuatingChargePropagator.hpp (file contents), Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC

# Line 43 | Line 43
43   #ifndef INTEGRATORS_FLUCTUATINGCHARGEPROPAGATOR_HPP
44   #define INTEGRATORS_FLUCTUATINGCHARGEPROPAGATOR_HPP
45  
46 – #include "primitives/StuntDouble.hpp"
46   #include "brains/SimInfo.hpp"
47 + #include "brains/ForceManager.hpp"
48 + #include "flucq/FluctuatingChargeConstraints.hpp"
49  
50   namespace OpenMD {
51  
# Line 54 | Line 55 | namespace OpenMD {
55     */
56    class FluctuatingChargePropagator {
57    public:
58 <    FluctuatingChargePropagator(SimInfo* info) : info_(info), hasFlucQ_(false) {};
58 >    FluctuatingChargePropagator(SimInfo* info);
59      virtual ~FluctuatingChargePropagator(){ }
60 <    virtual void initialize() = 0;
60 >    virtual void initialize();
61      virtual void updateSizes() = 0;
62      virtual void moveA() = 0;
63      virtual void applyConstraints();
64      virtual void moveB() = 0;
65 +    virtual void setForceManager(ForceManager* forceMan);
66  
67    protected:
68 +    FluctuatingChargeParameters* fqParams_;
69 +    FluctuatingChargeConstraints* fqConstraints_;
70      SimInfo* info_;
71 +    ForceManager* forceMan_;
72      bool hasFlucQ_;
73 +    
74    };
75   }
76   #endif

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