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Comparing branches/new_design/OOPSE-2.0/src/integrators/NVT.hpp (file contents):
Revision 1774 by tim, Tue Nov 23 23:12:23 2004 UTC vs.
Revision 1867 by tim, Tue Dec 7 23:08:14 2004 UTC

# Line 43 | Line 43 | class NVT : public VerlocityVerletIntegrator{
43   * Basic thermostating via Hoover, Phys.Rev.A, 1985, Vol. 31 (5) 1695-1697
44   * @todo document
45   */
46 < class NVT : public VerlocityVerletIntegrator{
46 > class NVT : public VelocityVerletIntegrator{
47      public:
48          NVT(SimInfo* info);
49  
# Line 79 | Line 79 | class NVT : public VerlocityVerletIntegrator{
79              chiTolerance_ = tol;
80          }
81  
82        virtual void update() ;
82          
83      protected:
84          virtual void moveA();
85 +
86          virtual void moveB();
87  
88 +        virtual void doUpdate() ;
89 +        
90      private:
91          virtual double calcConservedQuantity();              
92  
# Line 97 | Line 99 | Integrator* createNVT(SimInfo* info);
99          std::vector<Vector3d> oldJi_;
100   };
101  
100 Integrator* createNVT(SimInfo* info);
102  
103   } //end namespace oopse
104  

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