SunnyAnalysisTools

This will be a collection of tools that fill in the gap between the Sunny.jl calculator and the fitting of models to neutron scattering data. Currently contains simples tools for calculating binned intensities, including convolution across inverse spatial dimensions in momentum space.

Release status

Version 0.1.0 is a compatibility baseline release intended to provide a stable, retrievable package version for existing scripts.

The next planned development line will focus the public API around intensities_binned, dimensional binning/intensity types, and direct use of Sunny spin-wave objects.

LatinHyperCube Sampling

Time-of-flight calculations now include a LatinHyperCube calculation spec for bin integration with configurable Q and E sampling counts:

spec = LatinHyperCube(binning, ekernel; nqpoints=8, nepoints=2)
calc = calculate_intensities(model, spec)

Behavior:

• Q sampling uses a Latin hypercube design with nqpoints samples per q-bin.
• E sampling uses nepoints uniformly spaced points per energy bin, centered on the bin center and spanning the bin width.
• Broadening energies are sorted before calling Sunny, then mapped back to the requested bins for accumulation.

Notes:

• nqpoints is required.
• nepoints defaults to 1.

Release Automation

This repository is configured to use Julia's standard registration/release flow:

1. Bump version in Project.toml and merge to the default branch.
2. Comment @JuliaRegistrator register on the commit (or PR) to trigger Registrator.
3. After the General registry PR is merged, TagBot creates the git tag/release.

Configured workflows:

• .github/workflows/TagBot.yml
• .github/workflows/CompatHelper.yml

Required GitHub secrets:

• GITHUB_TOKEN (provided automatically by GitHub Actions)
• One SSH private key usable by automation workflows:
  • preferred: TAGBOT_SSH_KEY (TagBot) and COMPATHELPER_PRIV_KEY (CompatHelper)
  • fallback: DOCUMENTER_KEY (used by both workflows if dedicated keys are absent)

Notes:

• CompatHelper opens dependency-compatibility PRs on a daily schedule.
• TagBot listens for JuliaTagBot comments and can also be run manually via workflow dispatch.