GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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vnl_module Module Reference

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)

Function/Subroutine Documentation

◆ br_q()

subroutine vnl_module::br_q ( complex(kind=wp), dimension(0:l), intent(out) q,
complex(kind=wp), intent(in) z,
integer, intent(in) l )
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◆ cf_q()

complex(kind=wp) function vnl_module::cf_q ( complex(kind=wp), intent(in) z,
integer, intent(in) l )
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◆ eval_vnl()

real(wp) function vnl_module::eval_vnl ( class(vnl_integrand) data,
real(wp), intent(in) x )
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◆ fr_q()

subroutine vnl_module::fr_q ( complex(kind=wp), dimension(0:l), intent(out) q,
complex(kind=wp), intent(in) z,
integer, intent(in) l )

◆ fr_q_quad()

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 )

◆ legendre_ql()

subroutine vnl_module::legendre_ql ( complex(kind=wp), dimension(0:l), intent(out) q,
complex(kind=wp), intent(in) z,
integer, intent(in) l )
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◆ lpn()

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 )

◆ vnl_direct()

real(kind=wp) function vnl_module::vnl_direct ( real(kind=wp), intent(in) r,
integer, intent(in) n,
integer, intent(in) l )
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◆ vnl_potential()

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 )
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Variable Documentation

◆ imu

complex(kind=wp), parameter vnl_module::imu = (0.0_wp, 1.0_wp)