atom_utils::integrate_grid Interface Reference

Public Member Functions
pure real(kind=dp) function	integrate_grid_function1 (fun, grid)
	Integrate a function on an atomic radial grid.
pure real(kind=dp) function	integrate_grid_function2 (fun1, fun2, grid)
	Integrate the product of two functions on an atomic radial grid.
pure real(kind=dp) function	integrate_grid_function3 (fun1, fun2, fun3, grid)
	Integrate the product of three functions on an atomic radial grid.

Detailed Description

Definition at line 83 of file atom_utils.F.

Member Function/Subroutine Documentation

integrate_grid_function1()

pure real(kind=dp) function atom_utils::integrate_grid::integrate_grid_function1	(	real(kind=dp), dimension(:), intent(in)	fun,
		type(grid_atom_type), intent(in)	grid
	)

Integrate a function on an atomic radial grid.

Parameters

fun	function to integrate
grid	atomic radial grid

Returns

value of the integral

History

• 08.2008 created [Juerg Hutter]

Definition at line 1013 of file atom_utils.F.

integrate_grid_function2()

pure real(kind=dp) function atom_utils::integrate_grid::integrate_grid_function2	(	real(kind=dp), dimension(:), intent(in)	fun1,
		real(kind=dp), dimension(:), intent(in)	fun2,
		type(grid_atom_type), intent(in)	grid
	)

Integrate the product of two functions on an atomic radial grid.

Parameters

fun1	first function
fun2	second function
grid	atomic radial grid

Returns

value of the integral

History

• 08.2008 created [Juerg Hutter]

Definition at line 1034 of file atom_utils.F.

integrate_grid_function3()

pure real(kind=dp) function atom_utils::integrate_grid::integrate_grid_function3	(	real(kind=dp), dimension(:), intent(in)	fun1,
		real(kind=dp), dimension(:), intent(in)	fun2,
		real(kind=dp), dimension(:), intent(in)	fun3,
		type(grid_atom_type), intent(in)	grid
	)

Integrate the product of three functions on an atomic radial grid.

Parameters

fun1	first function
fun2	second function
fun3	third function
grid	atomic radial grid

Returns

value of the integral

History

• 08.2008 created [Juerg Hutter]

Definition at line 1056 of file atom_utils.F.

---

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

• atom_utils.F