ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/Integrator.hpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC vs.
Revision 1198 by tim, Thu May 27 00:48:12 2004 UTC

# Line 487 | Line 487 | template<typename T> class ZConstraint : public T { (p
487    
488    ForceSubtractionPolicy* forcePolicy; //force subtraction policy
489    friend class ForceSubtractionPolicy;
490 –
491 – };
492 –
493 – /*
494 – template<typename T> class SingleZConstrain : public T{
495 –
496 –
497 – };
498 – */
499 –
500 – template<typename T> class NonEquMD : public T {
501 –  public:
502 –    
503 –
504 –
505 – };
490  
507 –
508 – //
509 – template<typename T> class SingleZConstraint : public T{
510 –  public:
511 –    SingleZConstraint(SimInfo *theInfo, ForceFields* the_ff);
512 –    ~SingleZConstraint();
513 –    
514 –    bool stopIntegrator();
515 –    
516 –  protected:
517 –    
491   };
492  
520 – //Steered Molecular Dynamics, curret implement only support one steered molecule
521 – template<typename T> class SMD : public T{
522 –  public:
523 –    SMD( SimInfo *theInfo, ForceFields* the_ff);
524 –    ~SMD();
525 –  
526 –    virtual void integrate();
527 –    virtual void calcForce( int calcPot, int calcStress );  
528 –    bool stopIntegrator();
529 –  private:
530 –    
531 – };
532 –
533 – //By using state pattern, Coordinate Drive is responsible for switching back and forth between
534 – //Driven Molecular Dynamics and ZConstraint Method.
535 – template<typename T> class CoordinateDriver : public T {
536 –  public:
537 –    typedef T ParentIntegrator;
538 –
539 –    CoordinateDriver(SimInfo*, ForceFields*, BaseIntegrator*, BaseIntegrator*);
540 –    ~CoordinateDriver();
541 –    
542 –    virtual void integrate();
543 –
544 –  private:    
545 –    BaseIntegrator* zconsIntegrator;
546 –    BaseIntegrator* drivenIntegrator;
547 –    
548 – };
549 –
493   #endif

Diff Legend

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