v0.4.4

30 July 2026

🚀 New Features

• Add MSD/diffusion, PDF, bond-angle, neutron/electron XRD, SAED, NEB, and IR/Raman analysis #417
• Parse PDB, MOL/SDF, MOL2, mmCIF, and LAMMPS files; add selective-dynamics colors, dihedrals, zone-axis views, and displacement overlays #417
• Add interactive volumetric cross-sections with HKL planes and live offset sampling #415
• Add site-wide Pagefind documentation search 702d917

🛠 Enhancements

• Move 3D rendering to WebGPU and accelerate RDF, bonding, XRD, parsers, and render hot loops #416
• Support flat typed-array scalar grids in marching cubes #414
• Improve responsive structure controls, URL state, public APIs, Sunburst gaps, and colorbar layout #413
• Cut structure-viewer render churn and improve camera framing, reset controls, and plot-axis padding #419

🐛 Bug Fixes

• Fix bonding, diffraction, MSD unwrapping, supercells, symmetry elements, and malformed analysis/parser inputs #417
• Clean up renderer, canvas, stream, and recorder resources after failed exports #415
• Fix bond-edit resets and portaled widget interactions #418
• Fix WebGPU gradients and camera state, bundled Moyo WASM, and plot clipping/interactions #419

💡 Refactoring

• Replace local UI widget copies with svelte-widgets 1.1 #418
• Make releases artifact-first, retry-safe, and tag-last 53d5087