GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Data Types | |
type | vnl_integrand |
Functions/Subroutines | |
subroutine | lpn (n, x, pn, pd) |
real(wp) function | eval_vnl (data, x) |
real(kind=wp) function | vnl_direct (r, n, l) |
subroutine | vnl_potential (vnl, r, n_max, l_max) |
subroutine | legendre_ql (q, z, L) |
subroutine | fr_q (q, z, L) |
subroutine | fr_q_quad (q, z, L) |
subroutine | br_q (q, z, L) |
complex(kind=wp) function | cf_q (z, L) |
Variables | |
complex(kind=wp), parameter | imu = (0.0_wp, 1.0_wp) |
subroutine vnl_module::br_q | ( | complex(kind=wp), dimension(0:l), intent(out) | q, |
complex(kind=wp), intent(in) | z, | ||
integer, intent(in) | L | ||
) |
complex(kind=wp) function vnl_module::cf_q | ( | complex(kind=wp), intent(in) | z, |
integer, intent(in) | L | ||
) |
real(wp) function vnl_module::eval_vnl | ( | class(vnl_integrand) | data, |
real(wp), intent(in) | x | ||
) |
subroutine vnl_module::fr_q | ( | complex(kind=wp), dimension(0:l), intent(out) | q, |
complex(kind=wp), intent(in) | z, | ||
integer, intent(in) | L | ||
) |
subroutine vnl_module::fr_q_quad | ( | complex(kind=wp), dimension(0:l), intent(out) | q, |
complex(kind=wp), intent(in) | z, | ||
integer, intent(in) | L | ||
) |
subroutine vnl_module::legendre_ql | ( | complex(kind=wp), dimension(0:l), intent(out) | q, |
complex(kind=wp), intent(in) | z, | ||
integer, intent(in) | L | ||
) |
subroutine vnl_module::lpn | ( | integer, intent(in) | n, |
real(kind=wp), intent(in) | x, | ||
real(kind=wp), dimension(0:n), intent(out) | pn, | ||
real(kind=wp), dimension(0:n), intent(out) | pd | ||
) |
real(kind=wp) function vnl_module::vnl_direct | ( | real(kind=wp), intent(in) | r, |
integer, intent(in) | n, | ||
integer, intent(in) | l | ||
) |
subroutine vnl_module::vnl_potential | ( | real(kind=wp), dimension(0:l_max,0:n_max), intent(out) | vnl, |
real(kind=wp), intent(in) | r, | ||
integer, intent(in) | n_max, | ||
integer, intent(in) | l_max | ||
) |
complex(kind=wp), parameter vnl_module::imu = (0.0_wp, 1.0_wp) |