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GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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A complicated radial function. More...


Public Member Functions | |
| 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 | li |
| integer | l1 |
| integer | l |
| real(kind=cfp) | alpha |
| real(kind=cfp) | ra |
| real(kind=cfp) | nb1_li |
| real(kind=cfp) | ngto_ln |
| 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. | |
A complicated radial function.
| procedure ep_eval | ( | class(radial_function) | data, |
| real(ep1), intent(in) | x ) |
| procedure wp_eval | ( | class(radial_function) | data, |
| real(wp), intent(in) | x ) |
| real(kind=cfp) function_integration_gbl::radial_function::alpha |
| integer function_integration_gbl::radial_function::l |
| integer function_integration_gbl::radial_function::l1 |
| integer function_integration_gbl::radial_function::li |
| real(kind=cfp) function_integration_gbl::radial_function::nb1_li |
| real(kind=cfp) function_integration_gbl::radial_function::ngto_ln |
| real(kind=cfp) function_integration_gbl::radial_function::ra |