GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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general_quadrature_gbl::function_1d Module Referenceabstract

This is a class that defines an abstract function of one variable, whose specific implementation is deferred. The purpose is to use this abstract function in some bspline-related routines which require a user-defined function as a parameters. More...

Inheritance diagram for general_quadrature_gbl::function_1d:

Public Member Functions

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 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

This is a class that defines an abstract function of one variable, whose specific implementation is deferred. The purpose is to use this abstract function in some bspline-related routines which require a user-defined function as a parameters.

Member Function/Subroutine Documentation

◆ ep_eval()

procedure(ep_user_function_interface), deferred ep_eval ( class(function_1d) data,
real(kind=ep1), intent(in) x )
pure virtual

◆ eval() [1/2]

generic, public general_quadrature_gbl::function_1d::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.

◆ eval() [2/2]

generic, public general_quadrature_gbl::function_1d::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.

◆ wp_eval()

procedure(wp_user_function_interface), deferred wp_eval ( class(function_1d) data,
real(kind=wp), intent(in) x )
pure virtual

Member Data Documentation

◆ max_div

integer general_quadrature_gbl::function_1d::max_div = 2*limit

Maximum number of sub-divisions of the area to integrate over.

◆ ndiv

integer general_quadrature_gbl::function_1d::ndiv = 0

◆ neval

integer general_quadrature_gbl::function_1d::neval = 0

Number of function evaulation, number of subdivisions (applicable for adaptive quadratures).


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