Function qsym2::angmom::sh_conversion::sh_cart2r

pub fn sh_cart2r(
    lcart: u32,
    cartorder: &CartOrder,
    csphase: bool,
    pureorder: fn(_: u32) -> PureOrder,
) -> Vec<Array2<f64>>

Returns a list of $\mathbf{X}^{(l, l_{\mathrm{cart}})}$ for $l_{\mathrm{cart}} \ge l \ge 0$ and $l \equiv l_{\mathrm{cart}} \mod 2$.

$\mathbf{X}^{(l, l_{\mathrm{cart}})}$ is defined in sh_cart2rl_mat.

Arguments

• lcart - The total Cartesian degree for the Cartesian Gaussians and also for the radial part of the solid harmonic Gaussian.
• cartorder - A CartOrder struct giving the ordering of the components of the Cartesian Gaussians.
• csphase - Set to true to use the Condon–Shortley phase in the calculations of the $c^{-1}$ coefficients. See complexc and complexcinv for more details.
• pureorder - A closure to generate a PureOrder struct giving the ordering of the components of the pure Gaussians for a particular value of l.

Returns

A vector of $\mathbf{X}^{(l, l_{\mathrm{cart}})}$ matrices with $l_{\mathrm{cart}} \ge l \ge 0$ and $l \equiv l_{\mathrm{cart}} \mod 2$ in decreasing $l$ order.