ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/integrators/NPTf.hpp
(Generate patch)

Comparing trunk/src/integrators/NPTf.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 NPTf : public NPT{
57 <    public:
56 >  class NPTf : public NPT{
57 >  public:
58  
59 <        NPTf ( SimInfo* info) : NPT(info) {}
59 >    NPTf ( SimInfo* info) : NPT(info) {}
60  
61 <    protected:
61 >  protected:
62  
63 <        Mat3x3d eta;
63 >    Mat3x3d eta;
64  
65 <    private:
65 >  private:
66  
67 <        virtual void evolveEtaA();
68 <        virtual void evolveEtaB();
67 >    virtual void evolveEtaA();
68 >    virtual void evolveEtaB();
69  
70 <        virtual bool etaConverged();
70 >    virtual bool etaConverged();
71  
72 <        virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
73 <        virtual void getVelScaleB(Vector3d& sc, int index );
74 <        virtual void getPosScale(const Vector3d& pos, const Vector3d& COM,  int index, Vector3d& sc);
72 >    virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel);
73 >    virtual void getVelScaleB(Vector3d& sc, int index );
74 >    virtual void getPosScale(const Vector3d& pos, const Vector3d& COM,  int index, Vector3d& sc);
75  
76 <        virtual void calcVelScale();
76 >    virtual void calcVelScale();
77          
78 <        virtual void scaleSimBox();
79 <        virtual double calcConservedQuantity();
78 >    virtual void scaleSimBox();
79 >    virtual RealType calcConservedQuantity();
80  
81 <        virtual void loadEta();
82 <        virtual void saveEta();
81 >    virtual void loadEta();
82 >    virtual void saveEta();
83              
84 <        Mat3x3d oldEta;
85 <        Mat3x3d prevEta;
86 <        Mat3x3d vScale;
87 < };
84 >    Mat3x3d oldEta;
85 >    Mat3x3d prevEta;
86 >    Mat3x3d vScale;
87 >  };
88  
89  
90   }//end namespace oopse

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines