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root/OpenMD/trunk/src/integrators/NPTi.hpp
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Comparing trunk/src/integrators/NPTi.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 53 | Line 53 | namespace oopse {
53   #include "integrators/NPT.hpp"
54   namespace oopse {
55  
56 < class NPTi : public NPT {
57 <    public:
56 >  class NPTi : public NPT {
57 >  public:
58  
59 <        NPTi(SimInfo* info);
59 >    NPTi(SimInfo* info);
60  
61 <    private:
61 >  private:
62  
63 <        virtual void evolveEtaA();
64 <        virtual void evolveEtaB();
63 >    virtual void evolveEtaA();
64 >    virtual void evolveEtaB();
65  
66 <        virtual bool etaConverged();
66 >    virtual bool etaConverged();
67  
68 <        virtual void scaleSimBox();
68 >    virtual void scaleSimBox();
69  
70 <        virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
71 <        virtual void getVelScaleB(Vector3d& sc, int index );
72 <        virtual void getPosScale(const Vector3d& pos, const Vector3d& COM, int index, Vector3d& sc);
70 >    virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
71 >    virtual void getVelScaleB(Vector3d& sc, int index );
72 >    virtual void getPosScale(const Vector3d& pos, const Vector3d& COM, int index, Vector3d& sc);
73  
74 <        virtual void calcVelScale();
75 <        virtual double calcConservedQuantity();
74 >    virtual void calcVelScale();
75 >    virtual RealType calcConservedQuantity();
76  
77 <        virtual void loadEta();
78 <        virtual void saveEta();
79 <                    
80 <        double eta;
81 <        double oldEta;
82 <        double prevEta;
83 <        double vScale;
77 >    virtual void loadEta();
78 >    virtual void saveEta();
79 >    
80 >    RealType eta;
81 >    RealType oldEta;
82 >    RealType prevEta;
83 >    RealType vScale;
84          
85 < };
85 >  };
86  
87   }      //end namespace oopse
88  

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