[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Integrator.hpp

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 1248 by tim, Fri Jun 4 19:30:05 2004 UTC vs.
Revision 1254 by tim, Wed Jun 9 16:16:33 2004 UTC

#	Line 91 \| Line 91 \| typedef Integrator<BaseIntegrator> RealIntegrator;
91		typedef Integrator<BaseIntegrator> RealIntegrator;
92
93		// ansi instantiation
94	<	//template class Integrator<BaseIntegrator>;
94	>	template class Integrator<BaseIntegrator>;
95
96		template<typename T> class NVE : public T {
97
#	Line 492 \| Line 492 \| template<typename T> class ZConstraint : public T { (p
492
493		};
494
495	+
496	+	//Sympletic quaternion Scheme Integrator
497	+	//Reference:
498	+	// T.F. Miller, M. Eleftheriou, P. Pattnaik, A. Ndirango, D. Newns and G.J. Martyna
499	+	//Symplectic quaternion Scheme for biophysical molecular dynamics
500	+	//116(20), 8649, J. Chem. Phys. (2002)
501	+	template<typename T> class SQSIntegrator : public T{
502	+	public:
503	+	virtual void moveA();
504	+	virtual void moveB();
505	+	protected:
506	+	void freeRotor();
507	+	void rotate(int k, double dt);
508	+
509	+	};
510		#endif

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