ornlneutronimaging/NEREIDS: v0.1.0

What's Changed Add Jupyter notebook demos for Python bindings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/26 Expose doppler_broaden() and resolution_broaden() to Python API by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/32 Add ENDF loading, multi-L resonances, and target spin by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/33 Add resolution broadening to fit_spectrum() and tabulated kernel support by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/35 Expose spatial mapping pipeline to Python API by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/36 Create standalone endf-mat crate with element data, MAT numbers, and abundances by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/37 Implement ENDF LRF=7 (R-Matrix Limited) parser and cross-section calculation by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/40 Support NRO energy-dependent scattering radius (issue #43) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/46 Support LRF=7 KBK/KPS background record skip (issue #41) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/47 Support explicit photon channels in LRF=7 KRM=2 spin groups (issue #45) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/48 Notebooks: forward model demo (07) + PLEIADES 2D mapping (08) (issue #38) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/49 Add Coulomb wave functions and route LRF=7 Coulomb channels (closes #42) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/50 Add URR (LRU=2) unresolved resonance region support — closes #44 by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/51 Add load_tiff_folder() with glob pattern support (closes #75) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/98 Add temperature_k as optional free parameter in fit_spectrum() by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/97 Add trace-detectability analysis tool (#78) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/99 Fix IO/core validation: NaN guards, normalization, input checks by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/122 Fix fitting engine correctness: sigma validation, Poisson NLL, robustness by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/121 Fix NaN propagation and numerical safety in physics crate by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/120 Harden ENDF parser: checked casts, LRU=0, struct flags, multi-MAT detection by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/119 Pipeline validation: PipelineError, assert-to-Result, shape checks by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/130 Fitting edge cases: NaN guards, Fisher diagonal, LAMBDA_BREAKOUT by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/129 Physics thresholds: NaN guards, relative epsilon, Coulomb docs by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/128 ENDF parser robustness: validation guards and RangeParseContext refactor by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/127 Tech debt: deduplicate code, name constants, remove dead code by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/136 P2 robustness closeout: parser guards + GUI error display by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/135 Add precompute_cross_sections, detect_dead_pixels, and type stubs by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/139 Add Python test suite and pixi-based CI by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/138 Fix tech debt P2s from PRs #135-#136 by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/140 Add L-BFGS-B optimizer for Poisson fitting by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/145 Eliminate per-pixel allocation churn by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/144 Optimize Doppler broadening O(N²) → O(N×W) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/143 Optimize resolution broadening O(N²) → O(N×W) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/142 Fix L-BFGS-B optimizer P2 findings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/152 Fix Doppler broadening P2 findings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/150 Fix resolution broadening P2 findings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/149 Fix sparse-alloc P2 findings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/151 Perf: hoist J-group precompute above energy loop by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/153 Perf: cache-friendly transpose for per-pixel fitting by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/154 Perf: release GIL during all long-running Python bindings by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/155 Perf: parallelize isotope broadening with rayon by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/156 Perf: flatten Jacobian to row-major FlatMatrix by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/161 Perf: skip covariance computation in spatial mapping by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/162 Fix: propagate DopplerParams errors, deduplicate J-group logic by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/163 Fix: Arc-wrap resonance data, release GIL in load_endf/load_endf_file by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/164 Perf: reduce per-pixel allocation churn in fitting loops by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/165 Perf: precomputed LM path + ArrayView3 zero-copy by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/166 Perf: pre-allocate RML workspace matrices by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/167 Fix: correct temperature derivative sign for T < 0.1 K by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/178 Robustness: add singularity guards to single-channel Reich-Moore by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/179 Docs: document MLBW to SLBW dispatch limitation by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/182 Perf: use batch cross_sections_on_grid() in Python binding by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/181 Refactor: convert assert!/expect() to Result in public APIs by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/180 Docs/constants: fix P2 findings from codebase audit by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/184 Robustness: add validation constructors for public parameter types by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/183 feat(gui): Phase 1 scaffold — theme, toolbar, guided mode by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/190 feat(gui): Phase 2a — multi-format TIFF loading + spectrum file by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/193 feat(gui): Phase 2b — normalize step redesign with transmission preview by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/195 feat(gui): Phase 2c — NeXus/HDF5 histogram and event data loading by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/198 GUI Phase 3: analysis viewer upgrades + results step by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/201 feat(gui): Phase 4 — tools, navigation, and HDF5 browser by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/203 Phase 5: Export, Provenance & Per-Tile Toolbelt by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/205 GUI Phase 6: Studio mode three-pane result explorer by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/207 Design system: card, underline tabs, badge, content header (#222) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/225 GUI v2 Batch B: toolbar, sidebar, load step (#212, #213, #214) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/226 GUI v2 Batch C: Configure & Normalize steps by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/227 GUI v2 Batch D: Analyze & Results steps (#217, #218) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/228 GUI v2 Batch E: Forward Model, Detectability, Periodic Table (#219, #220, #223) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/229 GUI v2 Batch F: Studio mode redesign + status bar (#211, #221) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/230 Synthetic isotopes + custom Z/A entry in periodic table by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/231 Fix: make Periodic Table the primary isotope addition method by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/232 GUI UX: normalize layout + resolution broadening by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/233 GUI: Landing page + Decision wizard + Dynamic pipeline + Session persistence by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/238 GUI: Extract Bin/ROI steps, improve Rebin stub by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/239 Auto-fetch ENDF data when isotopes are added or changed by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/241 Auto-load data when all files are selected in Load step by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/243 Implement energy rebinning backend + GUI (#247) by @KedoKudo in https://github.com/ornlneutronimaging/NEREIDS/pull/248 Interactive ROI drawing on preview image by @KedoKu