GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Public Member Functions | Public Attributes | List of all members
vnl_module::vnl_integrand Type Reference
Inheritance diagram for vnl_module::vnl_integrand:
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Collaboration diagram for vnl_module::vnl_integrand:
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Public Member Functions

procedure eval => eval_vnl
 
- Public Member Functions inherited from general_quadrature::bound_user_function
procedure(user_function_interface), deferred eval
 

Public Attributes

integer n
 
integer l
 
real(kind=wp) r
 
logical eval_re = .true.
 

Detailed Description

Todo:
implement a Chebyshev approximation of the Vnl in the range where the recurrence is inaccurate.
Todo:
calculate the Vnl solving a system of equations with starting values determined using the Chebyshev approx.

Member Function/Subroutine Documentation

◆ eval()

procedure vnl_module::vnl_integrand::eval

Member Data Documentation

◆ eval_re

logical vnl_module::vnl_integrand::eval_re = .true.

◆ l

integer vnl_module::vnl_integrand::l

◆ n

integer vnl_module::vnl_integrand::n

◆ r

real(kind=wp) vnl_module::vnl_integrand::r

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