Struct Derivatives 

pub struct Derivatives {
    pub value: Complex,
    pub k: Complex,
    pub eta: Complex,
    pub shift: [Complex; 3],
    pub kpar: [Complex; 3],
    pub vectors: [[Complex; 3]; 3],
}

Local derivatives of one scalar Ewald sum.

Where the shift is a lattice point, the derivatives are those of the sum without that point, which stays excluded as the inputs move.

Fields

value: Complex

Sum value.

k: Complex

Complex wavenumber derivative.

eta: Complex

Ewald split derivative; zero for the full and direct sums.

shift: [Complex; 3]

Cartesian shift derivatives.

kpar: [Complex; 3]

Bloch derivatives in the lattice frame of BlochLattice (unused components are zero).

vectors: [[Complex; 3]; 3]

Row lattice-vector derivatives in the lattice frame (unused components are zero).

Implementations

impl Derivatives

pub fn pushforward(&self, tangent: &SumTangent) -> Complex

Directional derivative in all continuous inputs of this scalar sum.

pub(crate) fn pullback(&self, cotangent: Complex) -> SumGradient

Trait Implementations

impl Clone for Derivatives

fn clone(&self) -> Derivatives

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Derivatives

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Copy for Derivatives