GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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function_integration_gbl::radial_function_buff Type Reference

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...

Inheritance diagram for function_integration_gbl::radial_function_buff:
Collaboration diagram for function_integration_gbl::radial_function_buff:

Public Member Functions

procedure init (data)
 allocates the buffer
procedure final (data)
 deallocates the buffer
procedure wp_eval (data, x)
procedure ep_eval (data, x)
Public Member Functions inherited from general_quadrature_gbl::function_1d
generic, public eval wp_eval
 This must be used in all routines using this object to evaluate the function. This symbol is resolved into one of wp_eval, ep_eval depending on the floating point type of X on input.
generic, public eval ep_eval
 This must be used in all routines using this object to evaluate the function. This symbol is resolved into one of wp_eval, ep_eval depending on the floating point type of X on input.
procedure(wp_user_function_interface), deferred wp_eval (data, x)
procedure(ep_user_function_interface), deferred ep_eval (data, x)

Public Attributes

integer li
integer l1
integer l
real(kind=cfpalpha
real(kind=cfpra
real(kind=wp), dimension(:), allocatable wp_bes
real(kind=ep1), dimension(:), allocatable ep_bes
integer no_eval = 0
Public Attributes inherited from general_quadrature_gbl::function_1d
integer neval = 0
 Number of function evaulation, number of subdivisions (applicable for adaptive quadratures).
integer ndiv = 0
integer max_div = 2*limit
 Maximum number of sub-divisions of the area to integrate over.

Detailed Description

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.

Member Function/Subroutine Documentation

◆ ep_eval()

procedure ep_eval ( class(radial_function_buff) data,
real(ep1), intent(in) x )

◆ final()

procedure final ( class(radial_function_buff) data)

deallocates the buffer

◆ init()

procedure init ( class(radial_function_buff) data)

allocates the buffer

◆ wp_eval()

procedure wp_eval ( class(radial_function_buff) data,
real(wp), intent(in) x )

Member Data Documentation

◆ alpha

real(kind=cfp) function_integration_gbl::radial_function_buff::alpha

◆ ep_bes

real(kind=ep1), dimension(:), allocatable function_integration_gbl::radial_function_buff::ep_bes

◆ l

integer function_integration_gbl::radial_function_buff::l

◆ l1

integer function_integration_gbl::radial_function_buff::l1

◆ li

integer function_integration_gbl::radial_function_buff::li

◆ no_eval

integer function_integration_gbl::radial_function_buff::no_eval = 0

◆ ra

real(kind=cfp) function_integration_gbl::radial_function_buff::ra

◆ wp_bes

real(kind=wp), dimension(:), allocatable function_integration_gbl::radial_function_buff::wp_bes

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