Function qsym2::angmom::sh_conversion::sh_r2cart

pub fn sh_r2cart(
    lcart: u32,
    cartorder: &CartOrder,
    csphase: bool,
    pureorder: fn(_: u32) -> PureOrder,
) -> Vec<Array2<f64>>

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

$\mathbf{W}^{(l_{\mathrm{cart}}, l)}$ is defined in sh_rl2cart_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 $c$ coefficients. See complexc 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 $\mathbf{W}^{(l_{\mathrm{cart}}, l)}$ matrices with $l_{\mathrm{cart}} \ge l \ge 0$ and $l \equiv l_{\mathrm{cart}} \mod 2$ in decreasing $l$ order.