sirius::config_t::mixer_t Class Reference

Parameters of the mixer. More...

#include <config.hpp>

Public Member Functions
	mixer_t (nlohmann::json &dict__)
auto	type () const
	Type of the mixer. More...
void	type (std::string type__)
auto	beta () const
	Mixing parameter. More...
void	beta (double beta__)
auto	beta0 () const
	Mixing ratio in case of initial linear mixing. More...
void	beta0 (double beta0__)
auto	linear_mix_rms_tol () const
	RMS tolerance above which the linear mixing is triggered. More...
void	linear_mix_rms_tol (double linear_mix_rms_tol__)
auto	max_history () const
	Number of history steps for Broyden-type mixers. More...
void	max_history (int max_history__)
auto	beta_scaling_factor () const
	Scaling factor for mixing parameter. More...
void	beta_scaling_factor (double beta_scaling_factor__)
auto	use_hartree () const
	Use Hartree potential in the inner() product for residuals. More...
void	use_hartree (bool use_hartree__)

Private Attributes
nlohmann::json &	dict_

Detailed Description

Parameters of the mixer.

Definition at line 15 of file config.hpp.

Constructor & Destructor Documentation

mixer_t()

sirius::config_t::mixer_t::mixer_t ( nlohmann::json &  dict__ )

inline

Definition at line 18 of file config.hpp.

Member Function Documentation

type() [1/2]

auto sirius::config_t::mixer_t::type ( ) const

inline

Type of the mixer.

Definition at line 23 of file config.hpp.

type() [2/2]

void sirius::config_t::mixer_t::type ( std::string  type__ )

inline

Definition at line 27 of file config.hpp.

beta() [1/2]

auto sirius::config_t::mixer_t::beta ( ) const

inline

Mixing parameter.

Definition at line 35 of file config.hpp.

beta() [2/2]

void sirius::config_t::mixer_t::beta ( double  beta__ )

inline

Definition at line 39 of file config.hpp.

beta0() [1/2]

auto sirius::config_t::mixer_t::beta0 ( ) const

inline

Mixing ratio in case of initial linear mixing.

Definition at line 47 of file config.hpp.

beta0() [2/2]

void sirius::config_t::mixer_t::beta0 ( double  beta0__ )

inline

Definition at line 51 of file config.hpp.

linear_mix_rms_tol() [1/2]

auto sirius::config_t::mixer_t::linear_mix_rms_tol ( ) const

inline

RMS tolerance above which the linear mixing is triggered.

Definition at line 59 of file config.hpp.

linear_mix_rms_tol() [2/2]

void sirius::config_t::mixer_t::linear_mix_rms_tol ( double  linear_mix_rms_tol__ )

inline

Definition at line 63 of file config.hpp.

max_history() [1/2]

auto sirius::config_t::mixer_t::max_history ( ) const

inline

Number of history steps for Broyden-type mixers.

Definition at line 71 of file config.hpp.

max_history() [2/2]

void sirius::config_t::mixer_t::max_history ( int  max_history__ )

inline

Definition at line 75 of file config.hpp.

beta_scaling_factor() [1/2]

auto sirius::config_t::mixer_t::beta_scaling_factor ( ) const

inline

Scaling factor for mixing parameter.

Definition at line 83 of file config.hpp.

beta_scaling_factor() [2/2]

void sirius::config_t::mixer_t::beta_scaling_factor ( double  beta_scaling_factor__ )

inline

Definition at line 87 of file config.hpp.

use_hartree() [1/2]

auto sirius::config_t::mixer_t::use_hartree ( ) const

inline

Use Hartree potential in the inner() product for residuals.

Definition at line 95 of file config.hpp.

use_hartree() [2/2]

void sirius::config_t::mixer_t::use_hartree ( bool  use_hartree__ )

inline

Definition at line 99 of file config.hpp.

Member Data Documentation

dict_

nlohmann::json& sirius::config_t::mixer_t::dict_

private

Definition at line 107 of file config.hpp.

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

• config.hpp