SIRIUS 7.5.0
Electronic structure library and applications
Public Member Functions | Private Attributes | List of all members
sirius::config_t::nlcg_t Class Reference

Non-linear conjugate gradient minimisation. More...

#include <config.hpp>

Public Member Functions

 nlcg_t (nlohmann::json &dict__)
 
auto maxiter () const
 Maximum number of CG iterations. More...
 
void maxiter (int maxiter__)
 
auto restart () const
 CG restart. More...
 
void restart (int restart__)
 
auto tau () const
 Backtracking search, step parameter. More...
 
void tau (double tau__)
 
auto T () const
 Temperature in Kelvin. More...
 
void T (double T__)
 
auto kappa () const
 Scalar preconditioning of pseudo Hamiltonian. More...
 
void kappa (double kappa__)
 
auto tol () const
 CG tolerance. More...
 
void tol (double tol__)
 
auto processing_unit () const
 NLCG processing unit. More...
 
void processing_unit (std::string processing_unit__)
 

Private Attributes

nlohmann::json & dict_
 

Detailed Description

Non-linear conjugate gradient minimisation.

Definition at line 1362 of file config.hpp.

Constructor & Destructor Documentation

◆ nlcg_t()

sirius::config_t::nlcg_t::nlcg_t ( nlohmann::json &  dict__)
inline

Definition at line 1365 of file config.hpp.

Member Function Documentation

◆ maxiter() [1/2]

auto sirius::config_t::nlcg_t::maxiter ( ) const
inline

Maximum number of CG iterations.

Definition at line 1370 of file config.hpp.

◆ maxiter() [2/2]

void sirius::config_t::nlcg_t::maxiter ( int  maxiter__)
inline

Definition at line 1374 of file config.hpp.

◆ restart() [1/2]

auto sirius::config_t::nlcg_t::restart ( ) const
inline

CG restart.

Definition at line 1382 of file config.hpp.

◆ restart() [2/2]

void sirius::config_t::nlcg_t::restart ( int  restart__)
inline

Definition at line 1386 of file config.hpp.

◆ tau() [1/2]

auto sirius::config_t::nlcg_t::tau ( ) const
inline

Backtracking search, step parameter.

Definition at line 1394 of file config.hpp.

◆ tau() [2/2]

void sirius::config_t::nlcg_t::tau ( double  tau__)
inline

Definition at line 1398 of file config.hpp.

◆ T() [1/2]

auto sirius::config_t::nlcg_t::T ( ) const
inline

Temperature in Kelvin.

Definition at line 1406 of file config.hpp.

◆ T() [2/2]

void sirius::config_t::nlcg_t::T ( double  T__)
inline

Definition at line 1410 of file config.hpp.

◆ kappa() [1/2]

auto sirius::config_t::nlcg_t::kappa ( ) const
inline

Scalar preconditioning of pseudo Hamiltonian.

Definition at line 1418 of file config.hpp.

◆ kappa() [2/2]

void sirius::config_t::nlcg_t::kappa ( double  kappa__)
inline

Definition at line 1422 of file config.hpp.

◆ tol() [1/2]

auto sirius::config_t::nlcg_t::tol ( ) const
inline

CG tolerance.

Definition at line 1430 of file config.hpp.

◆ tol() [2/2]

void sirius::config_t::nlcg_t::tol ( double  tol__)
inline

Definition at line 1434 of file config.hpp.

◆ processing_unit() [1/2]

auto sirius::config_t::nlcg_t::processing_unit ( ) const
inline

NLCG processing unit.

Definition at line 1442 of file config.hpp.

◆ processing_unit() [2/2]

void sirius::config_t::nlcg_t::processing_unit ( std::string  processing_unit__)
inline

Definition at line 1446 of file config.hpp.

Member Data Documentation

◆ dict_

nlohmann::json& sirius::config_t::nlcg_t::dict_
private

Definition at line 1454 of file config.hpp.


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