pub fn derivatives(
wave: Family,
k: Complex,
lattice: &BlochLattice,
shift: [f64; 3],
eta: Complex,
) -> Result<Derivatives>Expand description
Differentiate an Ewald sum using analytic integral identities and Cartesian polynomials.
Derivatives of 1D spherical sums carry rounding bounds of their own, from the Kambe
orders one above and one below the value’s. Each derivative that loses more than
1e-12 of its scale comes from the spectral series (see the module docs). Where only
derivatives switch, the value stays the Ewald sum’s, whose bound is then within
1e-12 max(|S|, 1).
§Errors
As sum.