v0.3.3

🚀 New Features

• Export API: programmatic capture functions + UI polish #323
• Multi-vector-per-atom rendering #324
• Support PARCHG files #331

🛠 Enhancements

• Replace Deno CLI + ESLint with unified vite-plus toolchain #325
• Remove all ferrox references from config and source files 27a729b0
• Enable lint on extension code, fix all 89 errors 03551f7f

🐛 Bug Fixes

• Fix PBC distance calculation for non-orthogonal lattices #328
• Tile volumetric data when creating supercells #333
• Fix InstancedMesh limit hiding atoms in large structures #335

🔒 Security Fixes

• Sanitize all {@html} directives with DOMPurify to prevent XSS #326

New Contributors

• @fkiwit made their first contribution in #328

Full Changelog: https://github.com/janosh/matterviz/commits/v0.3.3

v0.3.2

🚀 New Features

• Add side-by-side layout mode to ConvexHullStats by @janosh in #307
• Add HeatmapMatrix component with controls and ordering by @janosh in #311
• Add ChemPotDiagram component for chemical potential diagrams by @janosh in #312
• Add categorical bar chart support by @janosh in #320
• Add PlotPanel for interactive JSON data visualization by @janosh in #321

🛠 Enhancements

• Phase diagram: vertical lever rule, dynamic x-domain, formula formatting, inline JSON editing via JsonTree, always-visible phase diagram editor by @janosh in #309
• Polish chempot diagram UX and interaction coverage by @janosh in #313
• Speed up chempot construction and add temperature filtering by @janosh in #314
• Improve isosurface render ordering and comparison sync by @janosh in #316
• Improve plot tooltips with richer defaults and physics-based band classification by @janosh in #319

🐛 Bug Fixes

• Fix packaging json.gz to NPM + more component updates by @janosh in #308
• Isosurface performance: grid downsampling, debounced rendering, UI fixes by @janosh in #322

💡 Refactoring

• Refactor trajectory parsing and tighten runtime type guards by @janosh in #315
• Unify plot components and add x2-axis (secondary top x-axis) support by @janosh in #318

Full Changelog: https://github.com/janosh/matterviz/commits/v0.3.2

v0.3.1

What's Changed

🛠 Enhancements

• Add classical potentials, MD thermostats, and benchmark suite by @janosh in #290
• Add multiple face coloring modes for 3D/4D convex hulls by @janosh in #292
• Add TorchSim state conversion + improve Rust bindings by @janosh in #293
• Automate ferrox docs generation for Rust + Python + WASM APIs by @janosh in #294
• Add 10 ferrox Marimo notebooks and improve structure matching UX by @janosh in #295
• Auto-generate Python type stubs from Rust with pyo3-stub-gen by @janosh in #296
• Add section grouping and layout options to ToggleMenu by @janosh in #297
• Add isosurface visualization for volumetric data by @janosh in #300
• Add interactive edit-atoms mode for adding, moving, and deleting structure sites by @janosh in #301
• VS Code extension: JsonBrowser with multi-panel drag-and-drop layout by @janosh in #303

💡 Refactoring

• ferrox modularize Python and WASM bindings into namespaced submodules by @janosh in #291

Full Changelog: v0.3.0...v0.3.1

v0.3.0

What's Changed

🛠 Enhancements

• Extend convex hull to support 5+ element systems by @janosh in #254
• Add sync_y_zoom for Bands/DOS plots, Formula copy, and plot padding fix by @janosh in #257
• Pseudo-binary phase diagrams with chemical formula rendering by @janosh in #259
• Add JsonTree controls and HeatmapTable uncertainty parsing by @janosh in #260
• Add Y2 axis synchronization for dual-axis plots by @janosh in #261
• Add irreducible Brillouin zone visualization by @janosh in #263
• Add gas-phase thermodynamics for atmosphere-controlled convex hulls by @killiansheriff in #270
• Add supercell creation, lattice reduction, and atomic mass to Rust extension by @janosh in #272
• Add structure normalization, pseudo-elements, and site properties by @janosh in #273
• Add ferrox WASM package and structure matching demo by @janosh in #275
• pymatgen sites.py feature parity in ferrox by @janosh in #276
• Add Rust structure transformations and Ewald summation by @janosh in #277
• Add coordination analysis module to ferrox by @janosh in #279
• Add RDF calculation module to ferrox by @janosh in #282
• ferrox powder XRD pattern calculation by @janosh in #283
• Add Element class, oxidation state guessing, and composition utilities by @janosh in #284
• Add atomistic simulation features to ferrox by @janosh in #285
• Add molecule support and fix structure charge parsing by @janosh in #287

🐛 Bug Fixes

• Extract PortalSelect component, fix ColorBar rollback bugs by @janosh in #252
• Fix type errors, a11y warnings, and improve FillArea handlers by @janosh in #288

📖 Documentation

• Migrate to svelte-multiselect/live-examples allowing upgrade demos to TypeScript by @janosh in #262

🧪 Tests

• Port pymatgen and torch-sim reference tests to Rust by @janosh in #286

New Contributors

• @killiansheriff made their first contribution in #270

Full Changelog: v0.2.2...v0.3.0

v0.2.2

What's Changed

🛠 Enhancements

• Hover visibility for convex hull control toggles and fix spectral/legend issues by @janosh in #237
• Add reference lines and planes for 2D/3D plots by @janosh in #239
• Clickable axis labels for switching plot properties with async data loading by @janosh in #240
• Structure add atomic size user override UI by @janosh in #242
• Add plot data cleaning API for handling noisy scientific data by @janosh in #243
• Add arcsinh scale for 2D plots by @janosh in #245
• Plotly Dash integration for MatterViz with typed Python wrappers by @mkhorton in #244
• HuggingFace Spaces deployment and typed wrapper improvements by @janosh in #247

🐛 Bug Fixes

• fix: legend deduplication by label+group, structure coord normalization, BZ wrapping by @janosh in #250

🧪 Tests

• Use structuredClone to prevent DEFAULTS mutation in Structure by @janosh in #248

New Contributors

• @mkhorton made their first contribution in #244

Full Changelog: v0.2.1...v0.2.2

v0.2.1

What's Changed

🛠 Enhancements

• Structure cell type switch (primitive/conventional) by @janosh in #219
• BarPlot: add line marker support by @janosh in #220
• Parse .xy, .xye, .brml, .xrdml XRD file formats by @janosh in #221
• FermiSurface visualization by @janosh in #223
• HeatmapTable by @janosh in #227
• Parse and display metadata from Optimade JSON files + codebase improvements by @janosh in #231
• IsobaricBinaryPhaseDiagram by @janosh in #233

🐛 Bug Fixes

• Fix CIF parser for compound symmetry operations by @janosh in #228
• Wrap fractional coordinates to [0, 1) for nested pymatgen JSON structures by @janosh in https://github.com//pull/232
• Fix all failing E2E Playwright tests by @janosh in #234
• Fix cyclic barrel imports causing SSR failures + unskip some more E2E tests + delete low value ones by @janosh in #235

💡 Refactoring

• Refactor: Improve variable names by @janosh in #229

Full Changelog: v0.2.0...v0.2.1

v0.2.0

What's Changed

🛠 Enhancements

• Support tick labels inside + rounded bars on all plots, smarter default filtering of unstable PD entries by @janosh in #214
• Native pymatgen band structure and DOS support by @janosh in #215
• Support LAMMPS trajectory format .lammpstrj by @janosh in #216
• Fat bands visualization by @janosh in #217

💥 Breaking Changes

• Rename PhaseDiagramND to ConvexHullND by @janosh in #218

🚧 CI

• Fix all legacy type errors and run svelte-check as pre-commit hook by @janosh in #212

Full Changelog: v0.1.15...v0.2.0

v0.1.15

What's Changed

🛠 Enhancements

• Plot fullscreen mode, supercell selector, XRD broadening by @janosh in #206
• Phase diagrams: add calculate_e_above_hull API, custom marker symbols, tweak pulse/glow highlights by @janosh in #207
• Highlight selected entry in PhaseDiagram2D by @janosh in #209

🐛 Bug Fixes

• Respect PBC in coordination number atom colors by @janosh in #197
• Fix blank Structure and BrillouinZone PNG exports by @janosh in #205
• Add composition utilities and fix phase diagram oxidation state handling by @janosh in #208

🏷️ Type Hints

• Type fixes by @janosh in #198

Full Changelog: v0.1.14...v0.1.15

v0.1.14

What's Changed

🛠 Enhancements

• Show status messages in RDF/XRD/Coordination plots if empty/on error by @janosh in #184
• ElementTile add --elem-tile-active-border CSS variable by @janosh in #190
• Introduce highlight styles for phase diagram entries for customizable visual effects on selected entries by @janosh in #192
• SymmetryStats by @janosh in #195

🐛 Bug Fixes

• Refactor extension/vscode file IO to use VSCode API instead of node:fs by @janosh in #182
• fix/transpose cell for torchsim trajectory by @thomasloux in #193

🧪 Tests

• Test Bond.svelte by @janosh in #179

New Contributors

• @thomasloux made their first contribution in #193

Full Changelog: v0.1.13...v0.1.14

v0.1.13

What's Changed

💥 Breaking Changes

• Plot component refactor: use grouped x/y axis, display, bar/line/point style props by @janosh in #169
• y2-axis support for BarPlot + Histogram by @janosh in #171

🛠 Enhancements

• RDF plot component by @janosh in #164
• CoordinationBarPlot by @janosh in #165
• 3D Structure export as GLB/OBJ by @janosh in #168
• Bands, Dos, BandsAndDos components by @janosh in #172
• Brillouin zone by @janosh in #174

💡 Refactoring

• Use spatial decomposition to speed up bond detection by @janosh in #178

Full Changelog: v0.1.12...v0.1.13