GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Data Types | Functions/Subroutines
bto_gto_test_routines_mod Module Reference

Functions/Subroutines

subroutine, public calc_2el_integral_BB_GG (density_1, density_2, max_l_legendre, integral)
 
subroutine, public calc_2el_integral_BG_BG (density_1, density_2, max_l_legendre, integral)
 
subroutine, public calc_2el_integral_BG_GG (density_1, density_2, max_l_legendre, integral)
 
subroutine init_GG_density (this, max_l_pw)
 
real(ep1) function ep_eval_BB_density (data, x)
 
real(ep1) function ep_eval_BG_density (data, x)
 

Function/Subroutine Documentation

◆ calc_2el_integral_BB_GG()

subroutine, public bto_gto_test_routines_mod::calc_2el_integral_BB_GG ( class(bb_density_obj), target  density_1,
class(gg_density_obj), target  density_2,
integer, intent(in)  max_l_legendre,
real(kind=cfp), intent(out)  integral 
)

◆ calc_2el_integral_BG_BG()

subroutine, public bto_gto_test_routines_mod::calc_2el_integral_BG_BG ( class(bg_density_obj), target  density_1,
class(bg_density_obj), target  density_2,
integer, intent(in)  max_l_legendre,
real(kind=cfp), intent(out)  integral 
)

◆ calc_2el_integral_BG_GG()

subroutine, public bto_gto_test_routines_mod::calc_2el_integral_BG_GG ( class(gg_density_obj), target  density_1,
class(bg_density_obj), target  density_2,
integer, intent(in)  max_l_legendre,
real(kind=cfp), intent(out)  integral 
)

◆ ep_eval_BB_density()

real(ep1) function bto_gto_test_routines_mod::ep_eval_BB_density ( class(bb_density_obj)  data,
real(kind=ep1), intent(in)  x 
)

◆ ep_eval_BG_density()

real(ep1) function bto_gto_test_routines_mod::ep_eval_BG_density ( class(bg_density_obj)  data,
real(kind=ep1), intent(in)  x 
)

◆ init_GG_density()

subroutine bto_gto_test_routines_mod::init_GG_density ( class(gg_density_obj)  this,
integer, intent(in)  max_l_pw 
)
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