Mix_DMk_2D Class Reference

#include <Mix_DMk_2D.h>

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Public Member Functions
Mix_DMk_2D &	set_nks (const int nks, const bool gamma_only_in)
	Sets the number of k-points and gamma_only flag.
Mix_DMk_2D &	set_mixing (Base_Mixing::Mixing *mixing_in)
	Sets the mixing mode.
Mix_DMk_2D &	set_mixing_beta (const double mixing_beta)
	Sets the mixing beta.
void	mix (const std::vector< std::vector< double > > &dm, const bool flag_restart)
	Mixes the double density matrix.
void	mix (const std::vector< std::vector< std::complex< double > > > &dm, const bool flag_restart)
	Mixes the complex density matrix.
std::vector< const std::vector< double > * >	get_DMk_gamma_out () const
	Returns the double density matrix.
std::vector< const std::vector< std::complex< double > > * >	get_DMk_k_out () const
	Returns the complex density matrix.

Private Attributes
std::vector< Mix_Matrix< std::vector< double > > >	mix_DMk_gamma
std::vector< Mix_Matrix< std::vector< std::complex< double > > > >	mix_DMk_k
bool	gamma_only

Member Function Documentation

get_DMk_gamma_out()

std::vector< const std::vector< double > * > Mix_DMk_2D::get_DMk_gamma_out

(

)

const

Returns the double density matrix.

Returns

Double density matrices for each k-points.

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get_DMk_k_out()

std::vector< const std::vector< std::complex< double > > * > Mix_DMk_2D::get_DMk_k_out

(

)

const

Returns the complex density matrix.

Returns

Complex density matrices for each k-points.

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mix() [1/2]

void Mix_DMk_2D::mix	(	const std::vector< std::vector< double > > &	dm,
		const bool	flag_restart
	)

Mixes the double density matrix.

Parameters

dm	Double Density matrix.
flag_restart	Flag indicating whether restart mixing.

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mix() [2/2]

void Mix_DMk_2D::mix	(	const std::vector< std::vector< std::complex< double > > > &	dm,
		const bool	flag_restart
	)

Mixes the complex density matrix.

Parameters

dm	Complex density matrix.
flag_restart	Flag indicating whether restart mixing.

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set_mixing()

Mix_DMk_2D & Mix_DMk_2D::set_mixing

(

Base_Mixing::Mixing *

mixing_in

)

Sets the mixing mode.

Parameters

Mixing

Mixing pointer.

Returns

Reference to the current object.

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set_mixing_beta()

Mix_DMk_2D & Mix_DMk_2D::set_mixing_beta

(

const double

mixing_beta

)

Sets the mixing beta.

Parameters

mixing_beta

Mixing beta.

Returns

Reference to the current object.

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set_nks()

Mix_DMk_2D & Mix_DMk_2D::set_nks	(	const int	nks,
		const bool	gamma_only_in
	)

Sets the number of k-points and gamma_only flag.

Parameters

nks	Number of k-points.
gamma_only_in	Flag indicating if only gamma point is mixed.

Returns

Reference to the current object.

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Member Data Documentation

gamma_only

bool Mix_DMk_2D::gamma_only

private

mix_DMk_gamma

std::vector<Mix_Matrix<std::vector<double> > > Mix_DMk_2D::mix_DMk_gamma

private

mix_DMk_k

std::vector<Mix_Matrix<std::vector<std::complex<double> > > > Mix_DMk_2D::mix_DMk_k

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_ri/Mix_DMk_2D.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_ri/Mix_DMk_2D.cpp