NumericalOrbitalLmTest Class Reference

Inheritance diagram for NumericalOrbitalLmTest:

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Protected Member Functions
void	SetUp ()
void	TearDown ()
void	init ()
void	pour_data ()
void	init_with_different_k (double const &ecut, double const &dk)
size_t	calc_nk (double const &ecutwfc, double const &dk)
size_t	calc_nr_uniform (double const &rcut, double const &dr_uniform)
bool	check_file_match (size_t const &nline, double const *col1, double const *col2, double const &tol, std::string const &fname)

Protected Attributes
std::vector< Numerical_Orbital_Lm >	nolm_
double	dr_
std::string	elem_label_
int	index_atom_type_
std::vector< int >	l_
std::vector< int >	index_chi_l_
int	nr_
double *	r_radial_
double *	rab_
Numerical_Orbital_Lm::Psi_Type	psi_type_
std::vector< double * >	chi_
size_t	nk_
double	dk_
double	dr_uniform_
bool	flag_plot_
bool	flag_sbpool_
bool	force_flag_

Member Function Documentation

calc_nk()

size_t NumericalOrbitalLmTest::calc_nk ( double const &  ecutwfc, double const &  dk  )

protected

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calc_nr_uniform()

size_t NumericalOrbitalLmTest::calc_nr_uniform ( double const &  rcut, double const &  dr_uniform  )

protected

check_file_match()

bool NumericalOrbitalLmTest::check_file_match ( size_t const &  nline, double const *  col1, double const *  col2, double const &  tol, std::string const &  fname  )

protected

init()

void NumericalOrbitalLmTest::init ( )

protected

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init_with_different_k()

void NumericalOrbitalLmTest::init_with_different_k ( double const &  ecut, double const &  dk  )

protected

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pour_data()

void NumericalOrbitalLmTest::pour_data ( )

protected

SetUp()

void NumericalOrbitalLmTest::SetUp ( )

protected

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TearDown()

void NumericalOrbitalLmTest::TearDown ( )

protected

Member Data Documentation

chi_

std::vector<double*> NumericalOrbitalLmTest::chi_

protected

dk_

double NumericalOrbitalLmTest::dk_

protected

dr_

double NumericalOrbitalLmTest::dr_

protected

dr_uniform_

double NumericalOrbitalLmTest::dr_uniform_

protected

elem_label_

std::string NumericalOrbitalLmTest::elem_label_

protected

flag_plot_

bool NumericalOrbitalLmTest::flag_plot_

protected

flag_sbpool_

bool NumericalOrbitalLmTest::flag_sbpool_

protected

force_flag_

bool NumericalOrbitalLmTest::force_flag_

protected

index_atom_type_

int NumericalOrbitalLmTest::index_atom_type_

protected

index_chi_l_

std::vector<int> NumericalOrbitalLmTest::index_chi_l_

protected

l_

std::vector<int> NumericalOrbitalLmTest::l_

protected

nk_

size_t NumericalOrbitalLmTest::nk_

protected

nolm_

std::vector<Numerical_Orbital_Lm> NumericalOrbitalLmTest::nolm_

protected

nr_

int NumericalOrbitalLmTest::nr_

protected

psi_type_

Numerical_Orbital_Lm::Psi_Type NumericalOrbitalLmTest::psi_type_

protected

r_radial_

double* NumericalOrbitalLmTest::r_radial_

protected

rab_

double* NumericalOrbitalLmTest::rab_

protected

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

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