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馃帀 Release: merge develop into master - #275

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henrikjacobsenfys merged 8 commits into
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Oct 20, 2026
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henrikjacobsenfys merged 8 commits into
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@easyscience easyscience Bot commented Oct 20, 2026

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This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from develop into master.

鈿狅笍 It is labeled [bot] release and is excluded from release notes and version bump logic.

easyscience[bot] and others added 8 commits October 8, 2026 21:12
* Add ChudleyElliotJumpDiffusion model and corresponding tests

* Enhance ChudleyElliotJumpDiffusion model documentation and tests; all checks passed

* Fix: replace Chudley-Elliot with Chudley-Elliott (propegated from spelling mistake in Mantid documentation)

* Fix: Add missing ChudleyElliottJumpDiffusion to public API and module exports

* Fix: Improve test clarity and update unit handling in ChudleyElliottJumpDiffusion tests

* Fix: Implement minimum width for residence time in ChudleyElliottJumpDiffusion model and update tests

* Fix: Update error handling in ChudleyElliottJumpDiffusion model and improve test assertions

* chore: pixi update and linting

* Add jump diffusion tutorials and Chudley-Elliott citation

- Add Jump Translational and Chudley-Elliott sections to
  diffusion_model.ipynb, with subheaders for each model
- Name the models in the Diffusion model entry of the tutorials index
- Add the Chudley and Elliott (1961) reference and "See also the
  tutorials" to the ChudleyElliottJumpDiffusion docstring
- Remove the tutorials TODO (#273)
* Speed up StretchedExponential quadrature 3-4x

Evaluate the exp-sinh quadrature in cache-sized blocks with in-place
temporaries, and drop nodes whose decaying exponent provably underflows
exp to exactly zero. Results are unchanged to rounding and stay bitwise
independent of block boundaries.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

* Interpolate the StretchedExponential profile by default

Add an interpolate flag (default True) that evaluates G_beta from a
cached cubic-spline table of log(G / G(0)) on y = asinh(w / w_ref)
instead of running the quadrature at every energy. Tables are cached
per beta and grow on a fixed lattice, so fits stay smooth under
finite-difference Jacobian steps. Accuracy is ~1e-7 of the peak for all
beta; interpolate=False keeps the ~1e-11 quadrature.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

* Add example, run pixi update

---------

Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
* Allow plotting parameters against Q^2

Analysis.plot_parameters and ParameterAnalysis.plot take an x_axis
argument ('Q' or 'Q^2'). The values at each Q are unchanged; only the
plotted coordinate is transformed, via the shared add_x_axis_coord
helper and its Q_AXIS_TRANSFORMS table, so further axes are one entry.

Closes #205

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

* Show the Lorentzian width against Q^2 in tutorial 1

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

---------

Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
slicerplot_with_residuals drew the residuals in a second Matplotlib
figure below the main one. Each figure was tight_layout'ed on its own,
so the axes' left edges depended on each panel's y tick label and y
label widths and did not line up.

Draw both panels as two axes of one figure with a shared x axis, so
they are laid out together and share x limits, scale and zoom. figsize
now sizes the whole figure, and the residuals panel hides its log
buttons, since logX is shared and logY does not suit residuals.

Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
@easyscience easyscience Bot added the [bot] release Automated release PR. Excluded from changelog/versioning label Oct 20, 2026
@henrikjacobsenfys
henrikjacobsenfys merged commit 0e53b14 into master Oct 20, 2026
2 checks passed
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