Parallel_Kpoints Class Reference

#include <parallel_kpoints.h>

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Public Member Functions
	Parallel_Kpoints ()
	~Parallel_Kpoints ()
void	kinfo (int &nkstot_in, const int &kpar_in, const int &my_pool_in, const int &rank_in_pool_in, const int &nproc_in, const int &nspin_in)
void	pool_collection (double &value, const double *wk, const int &ik)
void	pool_collection (double *valuea, double *valueb, const ModuleBase::realArray &a, const ModuleBase::realArray &b, const int &ik)
void	pool_collection (std::complex< double > *value, const ModuleBase::ComplexArray &w, const int &ik) const
template<class T , class V >
void	pool_collection_aux (T *value, const V &w, const int &dim, const int &ik) const
void	gatherkvec (const std::vector< ModuleBase::Vector3< double > > &vec_local, std::vector< ModuleBase::Vector3< double > > &vec_global) const
	gather kpoints from all processors
int	get_startpro_pool (const int &pool) const
int	get_max_nks_pool () const

Public Attributes
std::vector< int >	nks_pool
std::vector< int >	startk_pool
std::vector< int >	whichpool
int	nkstot_np = 0
int	nks_np = 0
int	kpar = 0
int	my_pool = 0
int	rank_in_pool = 0
int	nproc = 1
int	nspin = 1

Private Member Functions
void	get_nks_pool (const int &nkstot)
void	get_startk_pool (const int &nkstot)
void	get_whichpool (const int &nkstot)
void	set_startpro_pool ()

Private Attributes
std::vector< int >	startpro_pool

Constructor & Destructor Documentation

Parallel_Kpoints()

Parallel_Kpoints::Parallel_Kpoints ( )

inline

~Parallel_Kpoints()

Parallel_Kpoints::~Parallel_Kpoints ( )

inline

Member Function Documentation

gatherkvec()

void Parallel_Kpoints::gatherkvec	(	const std::vector< ModuleBase::Vector3< double > > &	vec_local,
		std::vector< ModuleBase::Vector3< double > > &	vec_global
	)		const

gather kpoints from all processors

Parameters

vec_local	kpoint vector in local processor
vec_global	kpoint vector in all processors

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get_max_nks_pool()

int Parallel_Kpoints::get_max_nks_pool ( ) const

inline

get_nks_pool()

void Parallel_Kpoints::get_nks_pool ( const int &  nkstot )

private

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get_startk_pool()

void Parallel_Kpoints::get_startk_pool ( const int &  nkstot )

private

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get_startpro_pool()

int Parallel_Kpoints::get_startpro_pool ( const int &  pool ) const

inline

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get_whichpool()

void Parallel_Kpoints::get_whichpool ( const int &  nkstot )

private

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kinfo()

void Parallel_Kpoints::kinfo	(	int &	nkstot_in,
		const int &	kpar_in,
		const int &	my_pool_in,
		const int &	rank_in_pool_in,
		const int &	nproc_in,
		const int &	nspin_in
	)

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pool_collection() [1/3]

void Parallel_Kpoints::pool_collection	(	double &	value,
		const double *	wk,
		const int &	ik
	)

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pool_collection() [2/3]

void Parallel_Kpoints::pool_collection	(	double *	valuea,
		double *	valueb,
		const ModuleBase::realArray &	a,
		const ModuleBase::realArray &	b,
		const int &	ik
	)

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pool_collection() [3/3]

void Parallel_Kpoints::pool_collection	(	std::complex< double > *	value,
		const ModuleBase::ComplexArray &	w,
		const int &	ik
	)		const

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pool_collection_aux()

template<class T , class V >

void Parallel_Kpoints::pool_collection_aux	(	T *	value,
		const V &	w,
		const int &	dim,
		const int &	ik
	)		const

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set_startpro_pool()

void Parallel_Kpoints::set_startpro_pool ( )

private

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Member Data Documentation

kpar

int Parallel_Kpoints::kpar = 0

my_pool

int Parallel_Kpoints::my_pool = 0

nks_np

int Parallel_Kpoints::nks_np = 0

nks_pool

std::vector<int> Parallel_Kpoints::nks_pool

nkstot_np

int Parallel_Kpoints::nkstot_np = 0

nproc

int Parallel_Kpoints::nproc = 1

nspin

int Parallel_Kpoints::nspin = 1

rank_in_pool

int Parallel_Kpoints::rank_in_pool = 0

startk_pool

std::vector<int> Parallel_Kpoints::startk_pool

startpro_pool

std::vector<int> Parallel_Kpoints::startpro_pool

private

whichpool

std::vector<int> Parallel_Kpoints::whichpool

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/parallel_kpoints.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/parallel_kpoints.cpp