sirius::config_t Class Reference

Inherited by sirius::Config.

Classes
class	control_t
	Control parameters. More...
class	hubbard_t
	Hubbard U correction. More...
class	iterative_solver_t
	Parameters of the iterative solver. More...
class	mixer_t
	Parameters of the mixer. More...
class	nlcg_t
	Non-linear conjugate gradient minimisation. More...
class	parameters_t
	Parameters of the simulation. More...
class	settings_t
	Settings control the internal parameters related to the numerical implementation. More...
class	unit_cell_t
	Unit cell representation. More...
class	vcsqnm_t
	Variable cell shape stabilized quasi Newton method (VC-SQNM) More...

Public Member Functions
nlohmann::json const &	dict () const
auto const &	mixer () const
auto &	mixer ()
auto const &	settings () const
auto &	settings ()
auto const &	unit_cell () const
auto &	unit_cell ()
auto const &	iterative_solver () const
auto &	iterative_solver ()
auto const &	control () const
auto &	control ()
auto const &	parameters () const
auto &	parameters ()
auto const &	nlcg () const
auto &	nlcg ()
auto const &	vcsqnm () const
auto &	vcsqnm ()
auto const &	hubbard () const
auto &	hubbard ()

Protected Attributes
nlohmann::json	dict_

Private Attributes
mixer_t	mixer_ {dict_}
settings_t	settings_ {dict_}
unit_cell_t	unit_cell_ {dict_}
iterative_solver_t	iterative_solver_ {dict_}
control_t	control_ {dict_}
parameters_t	parameters_ {dict_}
nlcg_t	nlcg_ {dict_}
vcsqnm_t	vcsqnm_ {dict_}
hubbard_t	hubbard_ {dict_}

Detailed Description

Definition at line 7 of file config.hpp.

Member Function Documentation

dict()

nlohmann::json const & sirius::config_t::dict ( ) const

inline

Definition at line 10 of file config.hpp.

mixer() [1/2]

auto const & sirius::config_t::mixer ( ) const

inline

Definition at line 109 of file config.hpp.

mixer() [2/2]

auto & sirius::config_t::mixer ( )

inline

Definition at line 110 of file config.hpp.

settings() [1/2]

auto const & sirius::config_t::settings ( ) const

inline

Definition at line 332 of file config.hpp.

settings() [2/2]

auto & sirius::config_t::settings ( )

inline

Definition at line 333 of file config.hpp.

unit_cell() [1/2]

auto const & sirius::config_t::unit_cell ( ) const

inline

Definition at line 408 of file config.hpp.

unit_cell() [2/2]

auto & sirius::config_t::unit_cell ( )

inline

Definition at line 409 of file config.hpp.

iterative_solver() [1/2]

auto const & sirius::config_t::iterative_solver ( ) const

inline

Definition at line 624 of file config.hpp.

iterative_solver() [2/2]

auto & sirius::config_t::iterative_solver ( )

inline

Definition at line 625 of file config.hpp.

control() [1/2]

auto const & sirius::config_t::control ( ) const

inline

Definition at line 901 of file config.hpp.

control() [2/2]

auto & sirius::config_t::control ( )

inline

Definition at line 902 of file config.hpp.

parameters() [1/2]

auto const & sirius::config_t::parameters ( ) const

inline

Definition at line 1359 of file config.hpp.

parameters() [2/2]

auto & sirius::config_t::parameters ( )

inline

Definition at line 1360 of file config.hpp.

nlcg() [1/2]

auto const & sirius::config_t::nlcg ( ) const

inline

Definition at line 1456 of file config.hpp.

nlcg() [2/2]

auto & sirius::config_t::nlcg ( )

inline

Definition at line 1457 of file config.hpp.

vcsqnm() [1/2]

auto const & sirius::config_t::vcsqnm ( ) const

inline

Definition at line 1565 of file config.hpp.

vcsqnm() [2/2]

auto & sirius::config_t::vcsqnm ( )

inline

Definition at line 1566 of file config.hpp.

hubbard() [1/2]

auto const & sirius::config_t::hubbard ( ) const

inline

Definition at line 1796 of file config.hpp.

hubbard() [2/2]

auto & sirius::config_t::hubbard ( )

inline

Definition at line 1797 of file config.hpp.

Member Data Documentation

mixer_

mixer_t sirius::config_t::mixer_ {dict_}

private

Definition at line 1799 of file config.hpp.

settings_

settings_t sirius::config_t::settings_ {dict_}

private

Definition at line 1800 of file config.hpp.

unit_cell_

unit_cell_t sirius::config_t::unit_cell_ {dict_}

private

Definition at line 1801 of file config.hpp.

iterative_solver_

iterative_solver_t sirius::config_t::iterative_solver_ {dict_}

private

Definition at line 1802 of file config.hpp.

control_

control_t sirius::config_t::control_ {dict_}

private

Definition at line 1803 of file config.hpp.

parameters_

parameters_t sirius::config_t::parameters_ {dict_}

private

Definition at line 1804 of file config.hpp.

nlcg_

nlcg_t sirius::config_t::nlcg_ {dict_}

private

Definition at line 1805 of file config.hpp.

vcsqnm_

vcsqnm_t sirius::config_t::vcsqnm_ {dict_}

private

Definition at line 1806 of file config.hpp.

hubbard_

hubbard_t sirius::config_t::hubbard_ {dict_}

private

Definition at line 1807 of file config.hpp.

dict_

nlohmann::json sirius::config_t::dict_

protected

Definition at line 1809 of file config.hpp.

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

• config.hpp