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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Private Attributes | List of all members
Line_Search Class Reference

#include <line_search.h>

Collaboration diagram for Line_Search:

Public Member Functions

 Line_Search ()
 
 ~Line_Search ()
 
bool line_search (const bool restart, const double x, const double y, const double f, double &xnew, const double conv_thr)
 
bool first_order (const double x, const double y, const double f, double &xnew)
 
bool third_order (const double x, const double y, const double f, double &xnew, const double conv_thr)
 
void init_brent (const double x, const double y, const double f)
 
void update_brent (const double x, const double y, const double f)
 
bool brent (const double x, const double y, const double f, double &xnew, const double conv_thr)
 

Private Attributes

int ls_step = 0
 
bool bracked = false
 
double xa = 0.0
 these variables used to keep record of some points
 
double xb = 0.0
 
double xc = 0.0
 
double fa = 0.0
 
double fb = 0.0
 
double fc = 0.0
 
double ya = 0.0
 
double yb = 0.0
 
double fstart = 0.0
 
const double e8 = 1.0e-8
 

Constructor & Destructor Documentation

◆ Line_Search()

Line_Search::Line_Search ( )
inline

◆ ~Line_Search()

Line_Search::~Line_Search ( )
inline

Member Function Documentation

◆ brent()

bool Line_Search::brent ( const double  x,
const double  y,
const double  f,
double &  xnew,
const double  conv_thr 
)
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◆ first_order()

bool Line_Search::first_order ( const double  x,
const double  y,
const double  f,
double &  xnew 
)
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◆ init_brent()

void Line_Search::init_brent ( const double  x,
const double  y,
const double  f 
)
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◆ line_search()

bool Line_Search::line_search ( const bool  restart,
const double  x,
const double  y,
const double  f,
double &  xnew,
const double  conv_thr 
)
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◆ third_order()

bool Line_Search::third_order ( const double  x,
const double  y,
const double  f,
double &  xnew,
const double  conv_thr 
)
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◆ update_brent()

void Line_Search::update_brent ( const double  x,
const double  y,
const double  f 
)
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Member Data Documentation

◆ bracked

bool Line_Search::bracked = false
private

◆ e8

const double Line_Search::e8 = 1.0e-8
private

◆ fa

double Line_Search::fa = 0.0
private

◆ fb

double Line_Search::fb = 0.0
private

◆ fc

double Line_Search::fc = 0.0
private

◆ fstart

double Line_Search::fstart = 0.0
private

◆ ls_step

int Line_Search::ls_step = 0
private

◆ xa

double Line_Search::xa = 0.0
private

these variables used to keep record of some points

◆ xb

double Line_Search::xb = 0.0
private

◆ xc

double Line_Search::xc = 0.0
private

◆ ya

double Line_Search::ya = 0.0
private

◆ yb

double Line_Search::yb = 0.0
private

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