Nucleide
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Changelog

All notable changes to Nucleide are documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

Releases are cut with scripts/bump-version.sh X.Y.Z, which stamps the [Unreleased] section below and updates [workspace.package] version in the root Cargo.toml. Git tags (vX.Y.Z) are the release source of truth; CI publishes Python wheels (and optionally Rust crates) from tags.

[Unreleased]

Added

  • depletion: reaction branching_ratio support in chain XML (default 1.0), with branched gains in the burnup matrix.
  • depletion: light-particle production in the burnup matrix — He-4/H-1 from alpha/proton decays and from reaction secondaries such as (n,α) and (n,p), when the product nuclide is in the chain.
  • depletion: decay branching ratios are renormalized to sum to 1 (largest branch adjusted) for programmatically built chains, matching OpenMC’s chain-generation behavior.
  • depletion: CASL-style fission-yield borrowing in chain XML (<neutron_fission_yields parent="X"/> resolves X’s yields, transitively), matching OpenMC.
  • nuclei: NuclideId::from_name now accepts PyNE-normalized forms such as "U-235", "u235", and uppercase-M metastable markers.
  • Python API: Cascade.solve_multicomponent() (M*-optimizing solve), DepletionSystem builder and solve_vec() for repeated solves without per-call overhead, and MeshTally.total_rel_error.
  • Python API: nucleide.data module (fetch, fetch_compendium, default_ref) for downloading repo data files — the Materials Compendium, sample depletion chains — pinned to the installed version’s tag, since the wheel bundles no data files.
  • Criterion benchmarks in crates/*/benches/ (cargo bench).
  • validation/: runnable cross-code validation harness against PyNE 0.7.5 and OpenMC 0.16.0 (containerized via validation/Containerfile + validation/run_container.sh) with committed results (validation/results.md).
  • validation/: full-chain depletion validation on the CASL/VERA simplified chain (downloaded to the git-ignored validation/.cache/), parser cross-validation against PyNE and serpentTools oracles (parsers_vs_refs.py), and generated paper figures (validation/figures/, via make_figures.py).
  • JOSS submission materials: paper.md, paper.bib, CITATION.cff, CONTRIBUTING.md, and a draft-PDF workflow.
  • bindings/wasm: wasm-bindgen crate exposing a subset of the workspace to the browser, including a WasmMaterialsCompendium API that parses the DOE/PNNL Materials Compendium from its JSON text.
  • Documentation website (website/, Astro + @nukehub/docs-kit) with content synced from docs/, theory pages, and interactive WASM tutorials (including a compendium browser that fetches the staged MaterialsCompendium.json and charts compositions with Plotly), deployed to GitHub Pages.
  • Interactive tutorials: MCNP meshtal z-slice heatmap with log colorscale and relative-error toggle, xsdir table-count histogram by element, depletion burnup-curve plot, material atom-vs-weight-fraction bar chart, enrichment cascade stage-profile line chart, and MAGIC energy upper-bound step line.
  • enrichment: Cascade::stage_profile() returns per-stage assays of the enriching key via the ideal-cascade recurrence, exposed through WASM as WasmCascade.stageProfile().
  • Release workflow: vX.Y.Z tags build and publish Python wheels for Linux, macOS, and Windows to PyPI, publish workspace crates to crates.io, and draft a GitHub release from the matching changelog section.

Changed

  • Documentation website moved from https://nukehub-dev.github.io/nucleide to a custom domain, https://nucleide.nukehub.org, hosted on GitHub Pages with Cloudflare DNS; the Astro base path changed from /nucleide to /.

  • Documentation theory pages (depletion, enrichment, nuclear-data, variance-reduction) now use the citation support from @nukehub/docs-kit: references are declared in frontmatter, cited inline with <Citation />, and rendered as a linked bibliography with copy-to-clipboard export.

  • Python API reorganized into domain submodules (nucleide.nuclei, nucleide.material, nucleide.mcnp, nucleide.serpent, nucleide.fluka, nucleide.vr, nucleide.enrichment, nucleide.depletion) mirroring the workspace crates; the top level re-exports the domain submodules alongside version() and __version__.

  • vr-tools: MeshSourceSampler now rejects negative or non-finite tally / user-density values with an error instead of silently absolutizing them.

  • depletion: reaction loss is subtracted once per reaction type per nuclide; duplicate entries only add branched gains.

  • depletion: CRAM pole solves reuse scratch buffers across poles.

  • nuclei: FLUKA name lookups use lazily-built maps instead of linear scans.

Fixed

  • Documentation website “Edit this page on GitHub” links now point at real repo files (docs-kit sync injects the source path as editPath frontmatter); previously every link 404’d — all were missing the file extension, and the changelog link pointed at docs/changelog instead of the repo-root CHANGELOG.md.

  • Documentation website deployment now builds the bindings/wasm package in CI, so the interactive tutorials can load /wasm/nucleide_wasm.js instead of receiving the SPA fallback HTML response.

  • Interactive tutorials: file/text inputs now use the docs-kit Textarea auto-resize (content-fitted height, no manual resize grip); kit bumped for a Select dropdown fix so short lists flipped above the trigger no longer float with a gap.

  • depletion: Chain::from_xml no longer renormalizes decay branching ratios — file values are used verbatim, matching OpenMC’s Chain.from_xml (renormalization only happens at chain generation). Found by the CASL full-chain validation (e.g. I-128 β⁻ branching ratio 0.931).

  • depletion: fission production now uses the yield set at the lowest incident neutron energy, matching OpenMC’s get_default_fission_yields.

  • nuclei: NuclideId::new rejects mass numbers above 999, fixing a debug overflow panic from inputs like "U999999".

  • depletion: zero/negative/non-finite half-lives and non-positive dt now return errors instead of producing inf/NaN.

  • linalg: LU solve validates matrix/RHS dimensions and symbolic-pattern identity instead of panicking inside faer.

  • enrichment: validates alpha > 1, assay ordering, and M* bounds; guards secant divide-by-zero; golden-section M* polish no longer trusts unconverged probe solves; recompute_nm reset path no longer uses stale right-hand sides.

  • vr-tools: magic no longer panics on tallies with empty energy bounds and validates array lengths and finiteness.

  • bindings/wasm: fraction and result maps are now serialized as plain JS objects instead of JS Maps, fixing empty tables in all interactive tutorials.

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