#include <H_TDDFT_pw.h>

Inheritance diagram for elecstate::H_TDDFT_pw:

Collaboration diagram for elecstate::H_TDDFT_pw:

Public Member Functions
	H_TDDFT_pw (const ModulePW::PW_Basis rho_basis_in, const UnitCell ucell_in)

	~H_TDDFT_pw ()

void	cal_fixed_v (double *vl_pseudo) override

Public Member Functions inherited from elecstate::PotBase
	PotBase ()

virtual	~PotBase ()

virtual void	cal_v_eff (const Charge const chg, const UnitCell const ucell, ModuleBase::matrix &v_eff)

Static Public Member Functions
static void	compute_force (const UnitCell &cell, ModuleBase::matrix &fe)
	Compute ionic force of electric field.

static void	update_At ()

Static Public Attributes
static int	stype

static std::vector< int >	ttype

static int	tstart

static int	tend

static double	dt

static double	dt_int

static int	istep_int

static double	lcut1

static double	lcut2

static ModuleBase::Vector3< double >	At

static ModuleBase::Vector3< double >	At_laststep

static ModuleBase::Vector3< double >	Et

static int	gauss_count

static std::vector< double >	gauss_omega

static std::vector< double >	gauss_phase

static std::vector< double >	gauss_sigma

static std::vector< double >	gauss_t0

static std::vector< double >	gauss_amp

static std::vector< int >	gauss_ncut

static int	trape_count

static std::vector< double >	trape_omega

static std::vector< double >	trape_phase

static std::vector< double >	trape_t1

static std::vector< double >	trape_t2

static std::vector< double >	trape_t3

static std::vector< double >	trape_amp

static std::vector< int >	trape_ncut

static int	trigo_count

static std::vector< double >	trigo_omega1

static std::vector< double >	trigo_omega2

static std::vector< double >	trigo_phase1

static std::vector< double >	trigo_phase2

static std::vector< double >	trigo_amp

static std::vector< int >	trigo_ncut

static int	heavi_count

static std::vector< double >	heavi_t0

static std::vector< double >	heavi_amp

Private Member Functions
void	current_step_info (const std::string &file_dir, int &istep)

void	cal_v_space (std::vector< double > &vext_space, int direc)

void	cal_v_space_length (std::vector< double > &vext_space, int direc)

double	cal_v_space_length_potential (double i)

Static Private Member Functions
static double	cal_v_time (int t_type, const bool last)

static double	cal_v_time_Gauss (const bool last)

static double	cal_v_time_trapezoid (const bool last)

static double	cal_v_time_trigonometric (const bool last)

static double	cal_v_time_heaviside (const bool last)

static int	check_ncut (int t_type)

Private Attributes
const UnitCell *	ucell_ = nullptr

Static Private Attributes
static int	istep = -1

static bool	is_initialized = false

static double	amp

static vector< double >	global_vext_time = {0.0, 0.0, 0.0}

Additional Inherited Members
Public Attributes inherited from elecstate::PotBase
bool	fixed_mode = 0

bool	dynamic_mode = 0

Protected Attributes inherited from elecstate::PotBase
const ModulePW::PW_Basis *	rho_basis_ = nullptr

const ModulePW::PW_Basis *	rho_basis_smooth_ = nullptr

Constructor & Destructor Documentation

◆ H_TDDFT_pw()

elecstate::H_TDDFT_pw::H_TDDFT_pw	(	const ModulePW::PW_Basis *	rho_basis_in,
		const UnitCell *	ucell_in
	)

inline

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◆ ~H_TDDFT_pw()

elecstate::H_TDDFT_pw::~H_TDDFT_pw ( )

inline

Member Function Documentation

◆ cal_fixed_v()

void elecstate::H_TDDFT_pw::cal_fixed_v ( double * vl_pseudo )

overridevirtual

Reimplemented from elecstate::PotBase.

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◆ cal_v_space()

void elecstate::H_TDDFT_pw::cal_v_space	(	std::vector< double > &	vext_space,
		int	direc
	)

private

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◆ cal_v_space_length()

void elecstate::H_TDDFT_pw::cal_v_space_length	(	std::vector< double > &	vext_space,
		int	direc
	)

private

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◆ cal_v_space_length_potential()

double elecstate::H_TDDFT_pw::cal_v_space_length_potential ( double i )

private

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◆ cal_v_time()

double elecstate::H_TDDFT_pw::cal_v_time	(	int	t_type,
		const bool	last
	)

staticprivate

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◆ cal_v_time_Gauss()

double elecstate::H_TDDFT_pw::cal_v_time_Gauss ( const bool last )

staticprivate

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◆ cal_v_time_heaviside()

double elecstate::H_TDDFT_pw::cal_v_time_heaviside ( const bool last )

staticprivate

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◆ cal_v_time_trapezoid()

double elecstate::H_TDDFT_pw::cal_v_time_trapezoid ( const bool last )

staticprivate

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◆ cal_v_time_trigonometric()

double elecstate::H_TDDFT_pw::cal_v_time_trigonometric ( const bool last )

staticprivate

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◆ check_ncut()

int elecstate::H_TDDFT_pw::check_ncut ( int t_type )

staticprivate

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◆ compute_force()

void elecstate::H_TDDFT_pw::compute_force	(	const UnitCell &	cell,
		ModuleBase::matrix &	fe
	)

static

Compute ionic force of electric field.

Parameters

[in]	cell	Information of cell
[out]	fe	Force of electric field F = qE

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◆ current_step_info()

void elecstate::H_TDDFT_pw::current_step_info	(	const std::string &	file_dir,
		int &	istep
	)

private

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◆ update_At()

void elecstate::H_TDDFT_pw::update_At ( )

static

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Member Data Documentation

◆ amp

double elecstate::H_TDDFT_pw::amp

staticprivate

◆ At

ModuleBase::Vector3< double > elecstate::H_TDDFT_pw::At

static

◆ At_laststep

ModuleBase::Vector3< double > elecstate::H_TDDFT_pw::At_laststep

static

◆ dt

double elecstate::H_TDDFT_pw::dt

static

◆ dt_int

double elecstate::H_TDDFT_pw::dt_int

static

◆ Et

ModuleBase::Vector3< double > elecstate::H_TDDFT_pw::Et

static

◆ gauss_amp

std::vector< double > elecstate::H_TDDFT_pw::gauss_amp

static

◆ gauss_count

int elecstate::H_TDDFT_pw::gauss_count

static

◆ gauss_ncut

std::vector< int > elecstate::H_TDDFT_pw::gauss_ncut

static

◆ gauss_omega

std::vector< double > elecstate::H_TDDFT_pw::gauss_omega

static

◆ gauss_phase

std::vector< double > elecstate::H_TDDFT_pw::gauss_phase

static

◆ gauss_sigma

std::vector< double > elecstate::H_TDDFT_pw::gauss_sigma

static

◆ gauss_t0

std::vector< double > elecstate::H_TDDFT_pw::gauss_t0

static

◆ global_vext_time

vector< double > elecstate::H_TDDFT_pw::global_vext_time = {0.0, 0.0, 0.0}

staticprivate

◆ heavi_amp

std::vector< double > elecstate::H_TDDFT_pw::heavi_amp

static

◆ heavi_count

int elecstate::H_TDDFT_pw::heavi_count

static

◆ heavi_t0

std::vector< double > elecstate::H_TDDFT_pw::heavi_t0

static

◆ is_initialized

bool elecstate::H_TDDFT_pw::is_initialized = false

staticprivate

◆ istep

int elecstate::H_TDDFT_pw::istep = -1

staticprivate

◆ istep_int

int elecstate::H_TDDFT_pw::istep_int

static

◆ lcut1

double elecstate::H_TDDFT_pw::lcut1

static

◆ lcut2

double elecstate::H_TDDFT_pw::lcut2

static

◆ stype

int elecstate::H_TDDFT_pw::stype

static

◆ tend

int elecstate::H_TDDFT_pw::tend

static

◆ trape_amp

std::vector< double > elecstate::H_TDDFT_pw::trape_amp

static

◆ trape_count

int elecstate::H_TDDFT_pw::trape_count

static

◆ trape_ncut

std::vector< int > elecstate::H_TDDFT_pw::trape_ncut

static

◆ trape_omega

std::vector< double > elecstate::H_TDDFT_pw::trape_omega

static

◆ trape_phase

std::vector< double > elecstate::H_TDDFT_pw::trape_phase

static

◆ trape_t1

std::vector< double > elecstate::H_TDDFT_pw::trape_t1

static

◆ trape_t2

std::vector< double > elecstate::H_TDDFT_pw::trape_t2

static

◆ trape_t3

std::vector< double > elecstate::H_TDDFT_pw::trape_t3

static

◆ trigo_amp

std::vector< double > elecstate::H_TDDFT_pw::trigo_amp

static

◆ trigo_count

int elecstate::H_TDDFT_pw::trigo_count

static

◆ trigo_ncut

std::vector< int > elecstate::H_TDDFT_pw::trigo_ncut

static

◆ trigo_omega1

std::vector< double > elecstate::H_TDDFT_pw::trigo_omega1

static

◆ trigo_omega2

std::vector< double > elecstate::H_TDDFT_pw::trigo_omega2

static

◆ trigo_phase1

std::vector< double > elecstate::H_TDDFT_pw::trigo_phase1

static

◆ trigo_phase2

std::vector< double > elecstate::H_TDDFT_pw::trigo_phase2

static

◆ tstart

int elecstate::H_TDDFT_pw::tstart

static

◆ ttype

std::vector< int > elecstate::H_TDDFT_pw::ttype

static

◆ ucell_

const UnitCell* elecstate::H_TDDFT_pw::ucell_ = nullptr

private

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

/home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_pot/H_TDDFT_pw.h
/home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_pot/H_TDDFT_pw.cpp
/home/runner/work/abacus-develop/abacus-develop/source/source_io/test/for_testing_input_conv.h

Public Member Functions

Static Public Member Functions

Static Public Attributes

Private Member Functions

Static Private Member Functions

Private Attributes

Static Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ H_TDDFT_pw()

◆ ~H_TDDFT_pw()

Member Function Documentation

◆ cal_fixed_v()

◆ cal_v_space()

◆ cal_v_space_length()

◆ cal_v_space_length_potential()

◆ cal_v_time()

◆ cal_v_time_Gauss()

◆ cal_v_time_heaviside()

◆ cal_v_time_trapezoid()

◆ cal_v_time_trigonometric()

◆ check_ncut()

◆ compute_force()

◆ current_step_info()

◆ update_At()

Member Data Documentation

◆ amp

◆ At

◆ At_laststep

◆ dt

◆ dt_int

◆ Et

◆ gauss_amp

◆ gauss_count

◆ gauss_ncut

◆ gauss_omega

◆ gauss_phase

◆ gauss_sigma

◆ gauss_t0

◆ global_vext_time

◆ heavi_amp

◆ heavi_count

◆ heavi_t0

◆ is_initialized

◆ istep

◆ istep_int

◆ lcut1

◆ lcut2

◆ stype

◆ tend

◆ trape_amp

◆ trape_count

◆ trape_ncut

◆ trape_omega

◆ trape_phase

◆ trape_t1

◆ trape_t2

◆ trape_t3

◆ trigo_amp

◆ trigo_count

◆ trigo_ncut

◆ trigo_omega1

◆ trigo_omega2

◆ trigo_phase1

◆ trigo_phase2

◆ tstart

◆ ttype

◆ ucell_