GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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vnl_module::vnl_integrand Type Reference
Inheritance diagram for vnl_module::vnl_integrand:
Collaboration diagram for vnl_module::vnl_integrand:

Public Member Functions

procedure eval (data, x)
Public Member Functions inherited from general_quadrature::bound_user_function
procedure(user_function_interface), deferred eval (data, x)

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.

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 ( class(vnl_integrand) data,
real(wp), intent(in) x )

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: