LcaoOrbitalsTest Class Reference

Inheritance diagram for LcaoOrbitalsTest:

Collaboration diagram for LcaoOrbitalsTest:

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

Protected Attributes
LCAO_Orbitals	lcao_
std::ofstream	ofs_log_
int	ntype_
int	lmax_
int	out_mat_r_
bool	force_flag_
int	my_rank_
bool	deepks_setorb_
bool	read_in_flag_
std::string	descriptor_file_
std::vector< std::string >	orbital_file_
double	ecutwfc_
double	dk_
double	dR_
double	Rmax_

Detailed Description

Tested functions:

• Read_Orbitals read orbital & (optionally) descriptor files and pour the data into Numerical_Orbital (and its member Numerical_Orbital_Lm) objects
• bcast_files broadcast the orbital_file from rank-0 to all other processes
• all "getters" get access to class members

Member Function Documentation

lcao_read()

void LcaoOrbitalsTest::lcao_read ( )

protected

Here is the call graph for this function:

SetUp()

void LcaoOrbitalsTest::SetUp ( )

protected

TearDown()

void LcaoOrbitalsTest::TearDown ( )

protected

Member Data Documentation

deepks_setorb_

bool LcaoOrbitalsTest::deepks_setorb_

protected

descriptor_file_

std::string LcaoOrbitalsTest::descriptor_file_

protected

dk_

double LcaoOrbitalsTest::dk_

protected

dR_

double LcaoOrbitalsTest::dR_

protected

ecutwfc_

double LcaoOrbitalsTest::ecutwfc_

protected

force_flag_

bool LcaoOrbitalsTest::force_flag_

protected

lcao_

LCAO_Orbitals LcaoOrbitalsTest::lcao_

protected

lmax_

int LcaoOrbitalsTest::lmax_

protected

my_rank_

int LcaoOrbitalsTest::my_rank_

protected

ntype_

int LcaoOrbitalsTest::ntype_

protected

ofs_log_

std::ofstream LcaoOrbitalsTest::ofs_log_

protected

orbital_file_

std::vector<std::string> LcaoOrbitalsTest::orbital_file_

protected

out_mat_r_

int LcaoOrbitalsTest::out_mat_r_

protected

read_in_flag_

bool LcaoOrbitalsTest::read_in_flag_

protected

Rmax_

double LcaoOrbitalsTest::Rmax_

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_read_test.cpp