Struct LatticeExpansionResidual 

pub struct LatticeExpansionResidual {
    destination: Basis,
    source: Basis,
    ks: [Complex; 2],
    lattice: BlochLattice,
    eta: Complex,
    helicity: bool,
    blocks: Vec<Block>,
}

What lattice_expansion saves for its pullback: the bases, the wavenumbers, the lattice, the split and the blocks, whose angular plans every position pair shares.

The pullback evaluates bounded batches of blocks in parallel and adds their gradients in block and harmonic order, so the thread count does not change it.

Fields

destination: Basis

source: Basis

ks: [Complex; 2]

lattice: BlochLattice

eta: Complex

helicity: bool

blocks: Vec<Block>

Implementations

impl LatticeExpansionResidual

pub fn state_size( destination_modes: usize, destination_positions: usize, source_modes: usize, source_positions: usize, ) -> Result<usize>

Fixed byte count from the destination and source basis shapes.

impl LatticeExpansionResidual

pub fn pushforward( &self, destination: &[[f64; 3]], source: &[[f64; 3]], ks: [Complex; 2], kpar: &[f64], vectors: &DMatrix<f64>, ) -> Result<DMatrix<Complex>>

Directional derivative in destination/source positions, medium wavenumbers, Bloch wavevector and lattice vectors. The Ewald split remains fixed.

pub fn shape(&self) -> (usize, usize)

Destination and source mode counts: the shape of the coupling matrix.

pub fn pullback( &self, cotangent: &DMatrix<Complex>, ) -> Result<LatticeExpansionGradient>

Position, wavenumber, Bloch-vector and lattice-vector gradients from cotangent; the pullback recomputes the analytic derivatives of the Ewald sums.

Trait Implementations

impl Debug for LatticeExpansionResidual

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

Formats the value using the given formatter.

impl SavedState for LatticeExpansionResidual

fn save_state(&self) -> Result<Vec<u8>>

Copy the saved numerical state into its fixed byte layout.

fn from_state(bytes: &[u8]) -> Result<Self>

Restore numerical state from bytes produced by this extension.