function_integration_gbl Module Reference

Declares functions that can be integrated (together with the B-spline) using MODDBFQAD. More...

Data Types
type	bessel_fn
	Bessel function \(J_{l+1/2}(kr)\), of half integral order \(l\) multiplied by \(r^{p}\): \(r^{p}J_{l+1/2}(kr)\). This function can be used to calculate representation of the Bessel orbital in terms of the B-spline orbitals. More...
type	bspl_prod_pow
	\( B_{i}(r)r^l \) This function is used in calculation of the overlap integral between two B-spline functions. More...
type	poly_exp_function
	\( r^{l}\exp[ar^{2}] \) More...
type	power_function
	\( r^{l} \) More...
type	radial_function
	A complicated radial function. More...
type	radial_function_buff
	A complicated radial function that uses a supplied array to store the values of the Bessel functions. Note that this function is identical to radial_function except of 1.5_wp in one of the exponents. More...

Functions/Subroutines
integer function	init_r_f_buff (data)
integer function	final_r_f_buff (data)
integer function	init_bspl_prod_pow (data, knot_inp)

Detailed Description

Declares functions that can be integrated (together with the B-spline) using MODDBFQAD.

Function/Subroutine Documentation

final_r_f_buff()

integer function function_integration_gbl::final_r_f_buff

(

class(radial_function_buff)

data

)

init_bspl_prod_pow()

integer function function_integration_gbl::init_bspl_prod_pow	(	class(bspl_prod_pow)	data,
		real(cfp), dimension(:), intent(in)	knot_inp
	)

init_r_f_buff()

integer function function_integration_gbl::init_r_f_buff

(

class(radial_function_buff)

data

)