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

Public Member Functions

procedure init init_bb_density
procedure wp_eval wp_eval_bb_density
procedure ep_eval ep_eval_bb_density
Public Member Functions inherited from general_quadrature::bound_user_function
procedure(user_function_interface), deferred eval (data, x)

Public Attributes

type(bto_data) cms_bto
integer ind_a = 0
integer ind_b = 0
integer l_a = 0
integer m_a = 0
integer l_b = 0
integer m_b = 0
integer l = 0
integer m = 0
real(kind=cfp), dimension(:), allocatable bcoef_a
real(kind=cfp), dimension(:), allocatable bcoef_b
real(kind=cfp) norm_a
real(kind=cfp) norm_b
real(kind=cfp) a
real(kind=cfp) b

Member Function/Subroutine Documentation

◆ ep_eval()

procedure bto_gto_test_routines_mod::BB_density_obj::ep_eval

◆ init()

procedure bto_gto_test_routines_mod::BB_density_obj::init

◆ wp_eval()

procedure bto_gto_test_routines_mod::BB_density_obj::wp_eval

Member Data Documentation

◆ a

real(kind=cfp) bto_gto_test_routines_mod::BB_density_obj::a

◆ b

real(kind=cfp) bto_gto_test_routines_mod::BB_density_obj::b

◆ bcoef_a

real(kind=cfp), dimension(:), allocatable bto_gto_test_routines_mod::BB_density_obj::bcoef_a

◆ bcoef_b

real(kind=cfp), dimension(:), allocatable bto_gto_test_routines_mod::BB_density_obj::bcoef_b

◆ cms_bto

type(bto_data) bto_gto_test_routines_mod::BB_density_obj::cms_bto

◆ ind_a

integer bto_gto_test_routines_mod::BB_density_obj::ind_a = 0

◆ ind_b

integer bto_gto_test_routines_mod::BB_density_obj::ind_b = 0

◆ l

integer bto_gto_test_routines_mod::BB_density_obj::l = 0

◆ l_a

integer bto_gto_test_routines_mod::BB_density_obj::l_a = 0

◆ l_b

integer bto_gto_test_routines_mod::BB_density_obj::l_b = 0

◆ m

integer bto_gto_test_routines_mod::BB_density_obj::m = 0

◆ m_a

integer bto_gto_test_routines_mod::BB_density_obj::m_a = 0

◆ m_b

integer bto_gto_test_routines_mod::BB_density_obj::m_b = 0

◆ norm_a

real(kind=cfp) bto_gto_test_routines_mod::BB_density_obj::norm_a

◆ norm_b

real(kind=cfp) bto_gto_test_routines_mod::BB_density_obj::norm_b

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