test_orb Class Reference

#include <ORB_unittest.h>

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Public Member Functions
void	count_ntype ()
void	set_files ()
void	set_ekcut ()
void	set_orbs ()
void	set_center2orbs ()
template<class c2o >
void	set_single_c2o (int TA, int TB, int LA, int NA, int LB, int NB)
double	randr (double Rmax)
void	gen_table_center2 ()

Public Attributes
LCAO_Orbitals	ORB
ORB_gaunt_table	Center2_MGT
ORB_control	ooo
std::ofstream	ofs_running
std::map< size_t, std::map< size_t, std::map< size_t, std::map< size_t, std::map< size_t, std::map< size_t, std::unique_ptr< Center2_Orb::Orb11 > > > > > > >	test_center2_orb11
bool	force_flag = false
int	my_rank = 0
int	ntype_read
double	lcao_ecut = 0
double	lcao_dk = 0.01
double	lcao_dr = 0.01
double	lcao_rmax = 30
int	out_descriptor = 0
int	out_mat_r = 0
int	lmax = 1
double	lat0 = 1.0
std::string	case_dir = "./GaAs/"
std::vector< std::string >	orbital_fn
std::string	descriptor_file

Protected Member Functions
void	SetUp () override
void	TearDown () override

Member Function Documentation

count_ntype()

void test_orb::count_ntype

(

)

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gen_table_center2()

void test_orb::gen_table_center2

(

)

randr()

double test_orb::randr

(

double

Rmax

)

set_center2orbs()

void test_orb::set_center2orbs

(

)

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set_ekcut()

void test_orb::set_ekcut

(

)

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set_files()

void test_orb::set_files

(

)

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set_orbs()

void test_orb::set_orbs

(

)

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set_single_c2o()

template<class c2o >

void test_orb::set_single_c2o	(	int	TA,
		int	TB,
		int	LA,
		int	NA,
		int	LB,
		int	NB
	)

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SetUp()

void test_orb::SetUp ( )

overrideprotected

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TearDown()

void test_orb::TearDown ( )

overrideprotected

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Member Data Documentation

case_dir

std::string test_orb::case_dir = "./GaAs/"

Center2_MGT

ORB_gaunt_table test_orb::Center2_MGT

descriptor_file

std::string test_orb::descriptor_file

force_flag

bool test_orb::force_flag = false

lat0

double test_orb::lat0 = 1.0

lcao_dk

double test_orb::lcao_dk = 0.01

lcao_dr

double test_orb::lcao_dr = 0.01

lcao_ecut

double test_orb::lcao_ecut = 0

lcao_rmax

double test_orb::lcao_rmax = 30

lmax

int test_orb::lmax = 1

my_rank

int test_orb::my_rank = 0

ntype_read

int test_orb::ntype_read

ofs_running

std::ofstream test_orb::ofs_running

ooo

ORB_control test_orb::ooo

ORB

LCAO_Orbitals test_orb::ORB

orbital_fn

std::vector<std::string> test_orb::orbital_fn

out_descriptor

int test_orb::out_descriptor = 0

out_mat_r

int test_orb::out_mat_r = 0

test_center2_orb11

std::map< size_t, std::map<size_t, std::map<size_t, std::map<size_t, std::map<size_t, std::map<size_t, std::unique_ptr<Center2_Orb::Orb11> > > > > > > test_orb::test_center2_orb11

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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/test/ORB_unittest.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_basis/module_ao/test/ORB_unittest.cpp