Numerical_Nonlocal Class Reference

#include <ORB_nonlocal.h>

Collaboration diagram for Numerical_Nonlocal:

Public Member Functions
	Numerical_Nonlocal ()
	~Numerical_Nonlocal ()
const int &	getLmax () const
const int &	getType () const
const std::string &	getLabel () const
const std::string &	getType_ps () const
void	set_type_info (const int &type_in, const std::string &label_in, const std::string &type_ps_in, const int &lmax_in, const int &nproj_in, const Numerical_Nonlocal_Lm *ps_orbital_in)
const double &	get_rcut_max () const
const int &	get_nproj () const

Public Attributes
Numerical_Nonlocal_Lm *	Proj
	length: nproj(only store radial function )

Private Attributes
std::string	label =""
int	type
	<element label
int	lmax
	max value of L angular momentum
double	rcut_max =0.0
std::string	type_ps =""
	local or nonlocal
int	nproj

Detailed Description

CLASS Numerical_Nonlocal

Note : contain nonlocal ps(:pseudopotential) information about atoms

Feature : set and store information about ps infomation related to atoms

AUTHOR : liaochen

DATE : 2008-03-04

Constructor & Destructor Documentation

Numerical_Nonlocal()

Numerical_Nonlocal::Numerical_Nonlocal

(

)

~Numerical_Nonlocal()

Numerical_Nonlocal::~Numerical_Nonlocal

(

)

Member Function Documentation

get_nproj()

const int & Numerical_Nonlocal::get_nproj ( ) const

inline

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get_rcut_max()

const double & Numerical_Nonlocal::get_rcut_max ( ) const

inline

getLabel()

const std::string & Numerical_Nonlocal::getLabel ( ) const

inline

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getLmax()

const int & Numerical_Nonlocal::getLmax ( ) const

inline

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getType()

const int & Numerical_Nonlocal::getType ( ) const

inline

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getType_ps()

const std::string & Numerical_Nonlocal::getType_ps ( ) const

inline

set_type_info()

void Numerical_Nonlocal::set_type_info	(	const int &	type_in,
		const std::string &	label_in,
		const std::string &	type_ps_in,
		const int &	lmax_in,
		const int &	nproj_in,
		const Numerical_Nonlocal_Lm *	ps_orbital_in
	)

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Member Data Documentation

label

std::string Numerical_Nonlocal::label =""

private

lmax

int Numerical_Nonlocal::lmax

private

max value of L angular momentum

nproj

int Numerical_Nonlocal::nproj

private

Proj

Numerical_Nonlocal_Lm* Numerical_Nonlocal::Proj

length: nproj(only store radial function )

rcut_max

double Numerical_Nonlocal::rcut_max =0.0

private

type

int Numerical_Nonlocal::type

private

<element label

element index

type_ps

std::string Numerical_Nonlocal::type_ps =""

private

local or nonlocal

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_basis/module_ao/ORB_nonlocal.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_basis/module_ao/ORB_nonlocal.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_operator_lcao/test/tmp_mocks.cpp