GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Public Member Functions | Public Attributes | List of all members
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:
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Public Member Functions

procedure init => init_r_f_buff
 allocates the buffer More...
 
procedure final => final_r_f_buff
 deallocates the buffer More...
 
procedure wp_eval => wp_radial_evaluation_buff
 
procedure ep_eval => ep_radial_evaluation_buff
 

Public Attributes

integer li
 
integer l1
 
integer l
 
real(kind=cfp) alpha
 
real(kind=cfp) ra
 
real(kind=wp), dimension(:), allocatable wp_bes
 
real(kind=ep1), dimension(:), allocatable ep_bes
 
integer no_eval = 0
 

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

◆ final()

procedure final

deallocates the buffer

◆ init()

procedure init

allocates the buffer

◆ wp_eval()

procedure wp_eval

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: