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

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC vs.
Revision 1064 by tim, Tue Feb 24 15:44:45 2004 UTC

#	Line 473 \| Line 473 \| class OOPSEMinimizerBase : public RealIntegrator {
473
474		};
475
476	+	/*
477		class OOPSEMinimizerBase : public RealIntegrator {
478		public:
479
#	Line 480 \| Line 481 \| class OOPSEMinimizerBase : public RealIntegrator {
481		virtual ~OOPSEMinimizerBase();
482
483		double calcGradient(vector<double>& x, vector<double>& grad);
484	<	void setOptCoor(vector<double>& x);
485	<	vector<double> getOptCoor();
484	>	void setCoor(vector<double>& x);
485	>	vector<double> getCoor();
486		void output(vector<double>& x, int iteration);
487		int getDim() {return dim;}
488	+	void constraintMove();
489	+	void shakeF();
490	+	void shakeR();
491		protected:
492
493		int dim;
#	Line 494 \| Line 498 \| class OOPSEMinimizerBase : public RealIntegrator {
498		// public:
499		// void writeOutput();
500		//};
501	<
501	>	*/
502		#endif

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