PLMD::MinimiseBase< FCLASS > Class Template Reference

#include <MinimiseBase.h>

Inheritance diagram for PLMD::MinimiseBase< FCLASS >:

Public Member Functions
	MinimiseBase (FCLASS *funcc)
double	linemin (const std::vector< double > &dir, std::vector< double > &p, engf_pointer myfunc)
	This is the line minimiser.

Protected Member Functions
double	calcDerivatives (const std::vector< double > &p, std::vector< double > &der, engf_pointer myfunc)
	This calculates the derivatives at a point.

Private Types
typedef double(FCLASS::*	engf_pointer) (const std::vector< double > &p, std::vector< double > &der)
	This is the pointer to the member function in the energy calculating class that calculates the energy.

Private Attributes
FCLASS *	myclass_func
	The class that calculates the energy given a position.

Member Typedef Documentation

engf_pointer

template<class FCLASS>

typedef double(FCLASS::* PLMD::MinimiseBase< FCLASS >::engf_pointer) (const std::vector< double > &p, std::vector< double > &der)

private

This is the pointer to the member function in the energy calculating class that calculates the energy.

Constructor & Destructor Documentation

MinimiseBase()

template<class FCLASS>

PLMD::MinimiseBase< FCLASS >::MinimiseBase ( FCLASS * funcc )

inlineexplicit

Member Function Documentation

calcDerivatives()

template<class FCLASS>

double PLMD::MinimiseBase< FCLASS >::calcDerivatives ( const std::vector< double > & p, std::vector< double > & der, engf_pointer myfunc )

protected

This calculates the derivatives at a point.

linemin()

template<class FCLASS>

double PLMD::MinimiseBase< FCLASS >::linemin	(	const std::vector< double > &	dir,
		std::vector< double > &	p,
		engf_pointer	myfunc )

This is the line minimiser.

Member Data Documentation

myclass_func

template<class FCLASS>

FCLASS* PLMD::MinimiseBase< FCLASS >::myclass_func

private

The class that calculates the energy given a position.

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The documentation for this class was generated from the following file:

• tools/MinimiseBase.h