madness::OptimizationTargetInterface Struct Reference

The interface to be provided by functions to be optimized. More...

#include <solvers.h>

Inheritance diagram for madness::OptimizationTargetInterface:

Public Member Functions
virtual	~OptimizationTargetInterface ()
virtual Tensor< double >	gradient (const Tensor< double > &x)
	Should return the derivative of the function. More...
virtual bool	provides_gradient () const
	Override this to return true if the derivative is implemented. More...
double	test_gradient (Tensor< double > &x, double value_precision, bool doprint=true)
	Numerical test of the derivative ... optionally prints to stdout, returns max abs error. More...
virtual double	value (const Tensor< double > &x)=0
	Should return the value of the objective function. More...
virtual void	value_and_gradient (const Tensor< double > &x, double &value, Tensor< double > &gradient)
	Reimplement if more efficient to evaluate both value and gradient in one call. More...

Detailed Description

The interface to be provided by functions to be optimized.

Constructor & Destructor Documentation

~OptimizationTargetInterface()

virtual madness::OptimizationTargetInterface::~OptimizationTargetInterface ( )

inlinevirtual

Member Function Documentation

gradient()

virtual Tensor<double> madness::OptimizationTargetInterface::gradient ( const Tensor< double > &  x )

inlinevirtual

Should return the derivative of the function.

Reimplemented in CoreFittingTarget, madness::Znemo, Test2, Test, Test2, Test, madness::MolecularEnergy, madness::Nemo, and Fred.

Referenced by test_gradient(), and value_and_gradient().

provides_gradient()

virtual bool madness::OptimizationTargetInterface::provides_gradient ( ) const

inlinevirtual

Override this to return true if the derivative is implemented.

Reimplemented in Test2, Test, Test2, Test, Fred, madness::MolecularEnergy, madness::Nemo, and CoreFittingTarget.

test_gradient()

double OptimizationTargetInterface::test_gradient	(	Tensor< double > &	x,
		double	value_precision,
		bool	doprint = true
	)

Numerical test of the derivative ... optionally prints to stdout, returns max abs error.

References std::abs(), madness::BaseTensor::dim(), gradient(), max, pow(), and value().

value()

virtual double madness::OptimizationTargetInterface::value ( const Tensor< double > &  x )

pure virtual

Should return the value of the objective function.

Implemented in CoreFittingTarget, madness::Znemo, Test2, Test, Test2, Test, madness::MolecularEnergy, madness::OEP, madness::Nemo, madness::MP2, madness::CC2, and Fred.

Referenced by test_gradient(), and value_and_gradient().

value_and_gradient()

virtual void madness::OptimizationTargetInterface::value_and_gradient ( const Tensor< double > &  x, double &  value, Tensor< double > &  gradient  )

inlinevirtual

Reimplement if more efficient to evaluate both value and gradient in one call.

Reimplemented in Fred.

References gradient(), and value().

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The documentation for this struct was generated from the following files:

• solvers.h
• solvers.cc