votca::xtp::NewtonRapson< Func > Class Template Reference

Newton Rapson rootfinder for 1d functions. More...

#include <newton_rapson.h>

Public Types
enum	Errors { success , smalldenom , notconverged }

Public Member Functions
	NewtonRapson (Index max_iterations, double tolerance)
	NewtonRapson (Index max_iterations, double tolerance, double alpha)
double	FindRoot (const Func &f, double x0)
Errors	getInfo () const
Index	getIterations () const

Private Attributes
Errors	info_ = Errors::notconverged
Index	max_iterations_
Index	iter_
double	tolerance_
double	alpha_ = 1.0

Detailed Description

template<class Func>
class votca::xtp::NewtonRapson< Func >

Newton Rapson rootfinder for 1d functions.

https://en.wikipedia.org/wiki/Newton%27s_method#Modified_Newton_methods

Definition at line 40 of file newton_rapson.h.

Member Enumeration Documentation

Errors

template<class Func >

enum votca::xtp::NewtonRapson::Errors

Enumerator
success
smalldenom
notconverged

Definition at line 42 of file newton_rapson.h.

Constructor & Destructor Documentation

NewtonRapson() [1/2]

template<class Func >

votca::xtp::NewtonRapson< Func >::NewtonRapson ( Index max_iterations, double tolerance )

inline

Definition at line 43 of file newton_rapson.h.

NewtonRapson() [2/2]

template<class Func >

votca::xtp::NewtonRapson< Func >::NewtonRapson ( Index max_iterations, double tolerance, double alpha )

inline

Definition at line 46 of file newton_rapson.h.

Member Function Documentation

FindRoot()

template<class Func >

double votca::xtp::NewtonRapson< Func >::FindRoot ( const Func & f, double x0 )

inline

Definition at line 49 of file newton_rapson.h.

getInfo()

template<class Func >

Errors votca::xtp::NewtonRapson< Func >::getInfo ( ) const

inline

Definition at line 72 of file newton_rapson.h.

getIterations()

template<class Func >

Index votca::xtp::NewtonRapson< Func >::getIterations ( ) const

inline

Definition at line 73 of file newton_rapson.h.

Member Data Documentation

alpha_

template<class Func >

double votca::xtp::NewtonRapson< Func >::alpha_ = 1.0

private

Definition at line 80 of file newton_rapson.h.

info_

template<class Func >

Errors votca::xtp::NewtonRapson< Func >::info_ = Errors::notconverged

private

Definition at line 76 of file newton_rapson.h.

iter_

template<class Func >

Index votca::xtp::NewtonRapson< Func >::iter_

private

Definition at line 78 of file newton_rapson.h.

max_iterations_

template<class Func >

Index votca::xtp::NewtonRapson< Func >::max_iterations_

private

Definition at line 77 of file newton_rapson.h.

tolerance_

template<class Func >

double votca::xtp::NewtonRapson< Func >::tolerance_

private

Definition at line 79 of file newton_rapson.h.

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

• xtp/include/votca/xtp/newton_rapson.h