diffraction

Dynamical electron diffraction: reflection lists, Bethe potentials, Bloch waves.

Functions

build_dynamical_matrix(structure_factors, refl)	The Bloch dynamical matrix A (complex, nm^-2) for one classified list.
candidate_reflections(refl, sg, wavelength, ...)	Mask of reflections kept for one beam direction.
classify_reflections(structure_factors, ...)	Candidate + strong/weak classification for one beam direction.
excitation_errors(g_cart, k_hat, wavelength)	Excitation errors s_g in nm^-1 (EMsoft Calcsg), batched over beams.
master_reflection_list(structure_factors)	All centering-allowed reflections with d >= dmin, sorted by |g|.
partition_strong_weak(hkl, sg, forbidden, ...)	Classify candidate reflections as STRONG / WEAK / IGNORED.
reduce_to_fundamental_sector(directions, ...)	Fold directions onto the point-group fundamental sector.
resolve_backend(backend)	Map a backend name to an instance; pass instances through.
sample_incident_directions(npx[, device, dtype])	Both hemispheres of the square Lambert grid as unit direction vectors.

Classes

BetheParameters([strong, weak, cutoff, ...])	Strong/weak/ignore thresholds for the Bethe-potential truncation.
BlochPrismBackend([cdtype])	Scattering-matrix (PRISM) Bloch backend: one shared eigen-decomposition.
BlochWaveBackend()	The physical Bloch-wave backend (EMsoft CalcLgh + Sgh).
DynamicalMatrix(matrix, hkl, k, reflections)	The dynamical matrix for one beam direction (inspectable stage).
KVectorGrid(npx, directions)	Incident-beam directions covering the sphere.
MasterPatternBackend()	Interface every master-pattern intensity backend implements.
ReflectionList(hkl, g, d, u_mod, forbidden)	A list of reflections, optionally classified for one beam direction.
SimulationInputs(structure_factors, bethe, ...)	Everything a backend needs, prepared once by the simulator.