votca::xtp::ADIIS_costfunction Class Reference

#include <adiis_costfunction.h>

Inheritance diagram for votca::xtp::ADIIS_costfunction:

Collaboration diagram for votca::xtp::ADIIS_costfunction:

Public Member Functions
	ADIIS_costfunction (Eigen::VectorXd DiF, Eigen::MatrixXd DiFj)
double	EvaluateCost (const Eigen::VectorXd &parameters) override
Eigen::VectorXd	EvaluateGradient (const Eigen::VectorXd &parameters) override
Index	NumParameters () const override
bool	Converged (const Eigen::VectorXd &, double, const Eigen::VectorXd &gradient) override
Public Member Functions inherited from votca::xtp::Optimiser_costfunction
virtual	~Optimiser_costfunction ()=default
virtual double	EvaluateCost (const Eigen::VectorXd &parameters)=0
virtual Eigen::VectorXd	EvaluateGradient (const Eigen::VectorXd &parameters)=0
virtual Index	NumParameters () const =0
virtual bool	Converged (const Eigen::VectorXd &delta_parameters, double delta_cost, const Eigen::VectorXd &gradient)=0

Private Attributes
Eigen::VectorXd	DiF_
Eigen::MatrixXd	DiFj_

Detailed Description

Definition at line 30 of file adiis_costfunction.h.

Constructor & Destructor Documentation

ADIIS_costfunction()

votca::xtp::ADIIS_costfunction::ADIIS_costfunction ( Eigen::VectorXd  DiF, Eigen::MatrixXd  DiFj  )

inline

Definition at line 32 of file adiis_costfunction.h.

Member Function Documentation

Converged()

bool votca::xtp::ADIIS_costfunction::Converged ( const Eigen::VectorXd &  , double  , const Eigen::VectorXd &  gradient  )

inlineoverridevirtual

Implements votca::xtp::Optimiser_costfunction.

Definition at line 62 of file adiis_costfunction.h.

EvaluateCost()

double votca::xtp::ADIIS_costfunction::EvaluateCost ( const Eigen::VectorXd &  parameters )

inlineoverridevirtual

Implements votca::xtp::Optimiser_costfunction.

Definition at line 37 of file adiis_costfunction.h.

EvaluateGradient()

Eigen::VectorXd votca::xtp::ADIIS_costfunction::EvaluateGradient ( const Eigen::VectorXd &  parameters )

inlineoverridevirtual

Implements votca::xtp::Optimiser_costfunction.

Definition at line 44 of file adiis_costfunction.h.

NumParameters()

Index votca::xtp::ADIIS_costfunction::NumParameters ( ) const

inlineoverridevirtual

Implements votca::xtp::Optimiser_costfunction.

Definition at line 60 of file adiis_costfunction.h.

Member Data Documentation

DiF_

Eigen::VectorXd votca::xtp::ADIIS_costfunction::DiF_

private

Definition at line 68 of file adiis_costfunction.h.

DiFj_

Eigen::MatrixXd votca::xtp::ADIIS_costfunction::DiFj_

private

Definition at line 69 of file adiis_costfunction.h.

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

• xtp/include/votca/xtp/adiis_costfunction.h