NumericalRadialTest Class Reference

Inheritance diagram for NumericalRadialTest:

Collaboration diagram for NumericalRadialTest:

Protected Member Functions
void	SetUp ()
void	TearDown ()

Protected Attributes
int	sz_max = 10000
	size of each buffer
double *	grid = nullptr
	buffer for input grid
double *	f = nullptr
	buffer for input values
double *	g = nullptr
	buffer for reference values
NumericalRadial	chi
	object under test
double	tol = 1e-8
	tolerance for element-wise numerical error

Detailed Description

Tested functions:

• build
  • Initializes the object by setting the grid & values in one space.
• to_numerical_orbital_lm
  • Overwrites the content of a Numerical_Orbital_Lm object with the current object.
• set_transformer
  • Sets a SphericalBesselTransformer for the object.
• set_grid
  • Sets up a new grid.
• set_uniform_grid
  • Sets up a new uniform grid.
• set_value
  • Updates values on an existing grid.
• wipe
  • Removes the grid & values from one space.
• radtab
  • Computes the radial table for two-center integrals between "this" and another object.
• all "getters"
  • Get access to private members.

Member Function Documentation

SetUp()

void NumericalRadialTest::SetUp ( )

protected

TearDown()

void NumericalRadialTest::TearDown ( )

protected

Member Data Documentation

chi

NumericalRadial NumericalRadialTest::chi

protected

object under test

f

double* NumericalRadialTest::f = nullptr

protected

buffer for input values

g

double* NumericalRadialTest::g = nullptr

protected

buffer for reference values

grid

double* NumericalRadialTest::grid = nullptr

protected

buffer for input grid

sz_max

int NumericalRadialTest::sz_max = 10000

protected

size of each buffer

tol

double NumericalRadialTest::tol = 1e-8

protected

tolerance for element-wise numerical error

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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_nao/test/numerical_radial_test.cpp