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root/OpenMD/trunk/src/integrators/LDForceManager.hpp
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Comparing trunk/src/integrators/LDForceManager.hpp (file contents):
Revision 906 by tim, Fri Mar 17 23:20:35 2006 UTC vs.
Revision 981 by gezelter, Mon Jun 5 18:24:45 2006 UTC

# Line 45 | Line 45
45   #include "brains/ForceManager.hpp"
46   #include "primitives/Molecule.hpp"
47   #include "math/SeqRandNumGen.hpp"
48 + #include "hydrodynamics/Shape.hpp"
49  
50   namespace oopse {
51 <
52 <
53 < struct HydroProp{
54 <    Vector3d cor;
55 <    Mat3x3d Xirtt;
56 <    Mat3x3d Xirrt; //Xirrt == Xirtr
56 <    Mat3x3d Xirtr;
57 <    Mat3x3d Xirrr;
58 <    Mat6x6d S;
59 < };
60 <
51 >  
52 >  struct SDShape{
53 >    StuntDouble* sd;
54 >    Shape* shape;
55 >  };
56 >    
57    /**
58     * @class LDForceManager
59 <   * Force manager for Lagevin Dynamics applying friction and random forces as well as torques.
59 >   * Force manager for Lagevin Dynamics applying friction and random
60 >   * forces as well as torques.
61     */
62 < class LDForceManager : public ForceManager{
63 <
62 >  class LDForceManager : public ForceManager{
63 >    
64    public:
65      LDForceManager(SimInfo * info);
66 <
66 >    
67    protected:
68      virtual void postCalculation();
69 <
69 >    
70    private:
71 <    std::map<std::string, HydroProp> parseFrictionFile(const std::string& filename);    
72 <    void genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, double variance);
73 <    std::vector<HydroProp> hydroProps_;
71 >    std::map<std::string, HydroProp*> parseFrictionFile(const std::string& filename);    
72 >    void genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, RealType variance);
73 >    std::vector<HydroProp*> hydroProps_;
74      SeqRandNumGen randNumGen_;    
75 <    double variance_;
76 < };
77 <
75 >    RealType variance_;
76 >    RealType langevinBufferRadius_;
77 >    RealType frozenBufferRadius_;
78 >    bool sphericalBoundaryConditions_;
79 >  };
80 >  
81   } //end namespace oopse
82   #endif //BRAINS_FORCEMANAGER_HPP
83  

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