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root/OpenMD/trunk/src/integrators/LDForceManager.hpp
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Comparing trunk/src/integrators/LDForceManager.hpp (file contents):
Revision 895 by tim, Mon Mar 13 22:42:40 2006 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 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 < struct HydroProp{
53 <    Vector3d cod;
54 <    Mat3x3d Ddtt;
55 <    Mat3x3d Ddtr;
56 <    Mat3x3d Ddrr;
57 <    Mat3x3d Xidtt;
58 <    Mat3x3d Xidrt;
59 <    Mat3x3d Xidtr;
60 <    Mat3x3d Xidrr;
61 <
62 < };
63 <
51 >  
52 >  struct SDShape{
53 >    StuntDouble* sd;
54 >    Shape* shape;
55 >  };
56 >  
57 >  struct HydroProp{
58 >    Vector3d cor;
59 >    Mat3x3d Xirtt;
60 >    Mat3x3d Xirrt; //Xirrt == Xirtr
61 >    Mat3x3d Xirtr;
62 >    Mat3x3d Xirrr;
63 >    Mat6x6d S;
64 >  };
65 >  
66    /**
67     * @class LDForceManager
68 <   * Force manager for Lagevin Dynamics applying friction and random forces as well as torques.
68 >   * Force manager for Lagevin Dynamics applying friction and random
69 >   * forces as well as torques.
70     */
71 < class LDForceManager : public ForceManager{
72 <
71 >  class LDForceManager : public ForceManager{
72 >    
73    public:
74      LDForceManager(SimInfo * info);
75 <
75 >    
76    protected:
77      virtual void postCalculation();
78 <
78 >    
79    private:
80      std::map<std::string, HydroProp> parseFrictionFile(const std::string& filename);    
81 <    void genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, double variance);
81 >    void genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, RealType variance);
82      std::vector<HydroProp> hydroProps_;
83      SeqRandNumGen randNumGen_;    
84 <    double variance_;
85 < };
86 <
84 >    RealType variance_;
85 >    RealType langevinBufferRadius_;
86 >    RealType frozenBufferRadius_;
87 >    bool sphericalBoundaryConditions_;
88 >  };
89 >  
90   } //end namespace oopse
91   #endif //BRAINS_FORCEMANAGER_HPP
92  

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