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

\( B_{i}(r)r^l \) This function is used in calculation of the overlap integral between two B-spline functions. More...

Inheritance diagram for function_integration_gbl::bspl_prod_pow:
Collaboration diagram for function_integration_gbl::bspl_prod_pow:

Public Member Functions

procedure init (data, knot_inp)
 This function takes as an input an array of knots. The size of the input array must be k+n. The values k, n must be set before calling this function. The input array of knots is transferred to the internal array knots which is then used in eval.
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 l
integer i
integer id
integer k
integer n
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

\( B_{i}(r)r^l \) This function is used in calculation of the overlap integral between two B-spline functions.

Member Function/Subroutine Documentation

◆ ep_eval()

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

◆ init()

procedure init ( class(bspl_prod_pow) data,
real(cfp), dimension(:), intent(in) knot_inp )

This function takes as an input an array of knots. The size of the input array must be k+n. The values k, n must be set before calling this function. The input array of knots is transferred to the internal array knots which is then used in eval.

◆ wp_eval()

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

Member Data Documentation

◆ i

integer function_integration_gbl::bspl_prod_pow::i

◆ id

integer function_integration_gbl::bspl_prod_pow::id

◆ k

integer function_integration_gbl::bspl_prod_pow::k

◆ l

integer function_integration_gbl::bspl_prod_pow::l

◆ n

integer function_integration_gbl::bspl_prod_pow::n

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