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root/group/trunk/OOPSE/libmdtools/Integrator.hpp
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Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 548 by mmeineke, Wed Jun 4 21:06:45 2003 UTC vs.
Revision 559 by mmeineke, Thu Jun 19 22:02:44 2003 UTC

# Line 26 | Line 26 | class Integrator : public BaseIntegrator { (protected)
26    virtual void moveB( void );
27    virtual void constrainA( void );
28    virtual void constrainB( void );
29 +  virtual int  readyCheck( void ) { return 1; }
30    
30  
31    void checkConstraints( void );
32    void rotate( int axes1, int axes2, double angle, double j[3],
33                 double A[3][3] );
# Line 77 | Line 77 | class Integrator : public BaseIntegrator { (protected)
77    
78   };
79  
80 + class NVE : public Integrator{
81  
82 +  NVE ( void ):
83 +    Integrator( theInfo, the_ff ){}
84 +  virtual ~NVE(){}
85 +
86 +  
87 +
88 + };
89 +
90   class NVT : public Integrator{
91  
92 <  NVT ( void );
92 >  NVT ( SimInfo &theInfo, ForceFields* the_ff ) :
93 >    Integrator( theInfo, the_ff );
94    virtual ~NVT();
95  
96   protected:

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