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‎changelog.md

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# Changelog
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## [v0.1.6](https://github.com/janosh/matterviz/compare/v0.1.5...v0.1.6)
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> 28 July 2025
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### 🛠 Enhancements
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- More `Histogram.svelte` features (near parity with `ScatterPlot.svelte`) by @janosh in https://github.com/janosh/matterviz/pull/101
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- Add parsing routines for single OPTIMADE JSON by @ml-evs in https://github.com/janosh/matterviz/pull/100
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- Add camera projection selector to `StructureControls.svelte`: perspective (default) or orthographic by @janosh in https://github.com/janosh/matterviz/pull/105
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- StructureControls.svelte add CIF and POSCAR file export and clipboard copy buttons by @janosh in https://github.com/janosh/matterviz/pull/110
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- Customize site labels (size, color, padding, bg color, offset) via `StructureControls.svelte` by @janosh in https://github.com/janosh/matterviz/pull/111
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- Streaming trajectory loader and parser to support large MD files by @janosh in https://github.com/janosh/matterviz/pull/112
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- Add lots of VSCode extension settings for customizing default appearance by @janosh in https://github.com/janosh/matterviz/pull/114
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### 🐛 Bug Fixes
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- Fix VSCode PNG export by @janosh in https://github.com/janosh/matterviz/pull/103
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- Fix Matterviz auto-render triggering on unsupported files by @janosh in https://github.com/janosh/matterviz/pull/108
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- Fix CIF parsing of TiO2 (mp-2657) by @janosh in https://github.com/janosh/matterviz/pull/109
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## New Contributors
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- @ml-evs made their first contribution in https://github.com/janosh/matterviz/pull/100
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## [v0.1.5](https://github.com/janosh/matterviz/compare/v0.1.4...v0.1.5)
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> 22 July 2025

‎extensions/vscode/package.json

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"name": "matterviz",
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"displayName": "MatterViz",
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"description": "Visualize crystal structures and MD trajectories in VSCode",
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"version": "0.1.5",
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"version": "0.1.6",
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"publisher": "janosh",
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"icon": "icon.png",
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"repository": "https://github.com/janosh/matterviz",
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"minimum": 0.05,
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"maximum": 0.5
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},
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"matterviz.structure.show_lattice": {
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"matterviz.structure.show_cell": {
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"type": "boolean",
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"default": false,
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"description": "Display unit cell lattice"
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"description": "Display system cell"
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},
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"matterviz.structure.show_vectors": {
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"type": "boolean",
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"default": false,
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"description": "Display lattice vectors"
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"description": "Display cell vectors"
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},
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"matterviz.structure.lattice_edge_opacity": {
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"matterviz.structure.cell_edge_opacity": {
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"type": "number",
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"default": 0.3,
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"description": "Opacity of lattice edge lines",
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"description": "Opacity of cell edge lines",
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"minimum": 0,
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"maximum": 1
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},
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"matterviz.structure.lattice_surface_opacity": {
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"matterviz.structure.cell_surface_opacity": {
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"type": "number",
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"default": 0.1,
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"description": "Opacity of lattice surfaces",
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"description": "Opacity of cell surfaces",
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"minimum": 0,
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"maximum": 1
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},
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"matterviz.structure.lattice_edge_color": {
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"matterviz.structure.cell_edge_color": {
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"type": "string",
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"default": "#808080",
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"description": "Color of lattice edges"
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"description": "Color of cell edges"
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},
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"matterviz.structure.lattice_surface_color": {
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"matterviz.structure.cell_surface_color": {
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"type": "string",
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"default": "#e0e0e0",
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"description": "Color of lattice surfaces"
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"description": "Color of cell surfaces"
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},
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"matterviz.structure.lattice_line_width": {
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"matterviz.structure.cell_line_width": {
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"type": "number",
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"default": 1.5,
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"description": "Width of lattice edge lines",
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"description": "Width of cell edge lines",
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"minimum": 0.5,
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"maximum": 5
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},
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},
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"matterviz.trajectory.fps": {
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"type": "number",
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"default": 5,
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"default": 10,
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"description": "Frames per second for trajectory playback",
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"minimum": 0.1,
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"maximum": 60

‎extensions/vscode/readme.md

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### Setting Categories
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| Category | Description | Example Settings |
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| --------------- | ------------------------------- | ----------------------------------------------------------- |
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| **General** | Global appearance and behavior | `color_scheme`, `background_color`, `show_image_atoms` |
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| **Structure** | 3D structure visualization | `atom_radius`, `bond_thickness`, `show_lattice`, `lighting` |
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| **Trajectory** | Animation and playback controls | `fps`, `auto_play`, `display_mode`, `show_controls` |
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| **Plots** | Scatter plots and histograms | `scatter_point_size`, `plot_grid_lines`, `auto_fit_range` |
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| **Performance** | Memory and processing options | `chunk_size`, `use_indexing`, `sphere_segments` |
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| Category | Description | Example Settings |
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| --------------- | ------------------------------- | --------------------------------------------------------- |
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| **General** | Global appearance and behavior | `color_scheme`, `background_color`, `show_image_atoms` |
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| **Structure** | 3D structure visualization | `atom_radius`, `bond_thickness`, `show_cell`, `lighting` |
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| **Trajectory** | Animation and playback controls | `fps`, `auto_play`, `display_mode`, `show_controls` |
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| **Plots** | Scatter plots and histograms | `scatter_point_size`, `plot_grid_lines`, `auto_fit_range` |
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| **Performance** | Memory and processing options | `chunk_size`, `use_indexing`, `sphere_segments` |
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### Pro Tips
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‎extensions/vscode/src/webview/main.ts

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},
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lattice_props: {
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show_vectors: structure.show_vectors,
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cell_edge_opacity: structure.lattice_edge_opacity,
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cell_surface_opacity: structure.lattice_surface_opacity,
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cell_edge_color: structure.lattice_edge_color,
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cell_surface_color: structure.lattice_surface_color,
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cell_edge_opacity: structure.cell_edge_opacity,
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cell_surface_opacity: structure.cell_surface_opacity,
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cell_edge_color: structure.cell_edge_color,
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cell_surface_color: structure.cell_surface_color,
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},
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color_scheme: defaults.color_scheme,
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background_color: defaults.background_color,

‎extensions/vscode/tests/extension.test.ts

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[`structure.ambient_light`, 0.6],
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[`structure.directional_light`, 0.8],
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[`structure.force_scale`, 2.0],
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[`structure.lattice_edge_opacity`, 0.5],
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[`structure.lattice_surface_opacity`, 0.2],
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[`structure.cell_edge_opacity`, 0.5],
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[`structure.cell_surface_opacity`, 0.2],
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[`background_opacity`, 0.8],
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[`trajectory.fps`, 10],
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[`trajectory.step_labels`, 10],
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[`structure.show_bonds`, true],
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[`structure.show_site_labels`, true],
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[`structure.show_force_vectors`, true],
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[`structure.show_lattice`, true],
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[`structure.show_cell`, true],
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[`structure.show_vectors`, true],
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[`show_image_atoms`, true],
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[`show_gizmo`, false],
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[`structure.bond_color`, `#ff0000`],
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[`structure.site_label_color`, `#00ff00`],
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[`structure.site_label_bg_color`, `#333333`],
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[`structure.lattice_edge_color`, `#aaaaaa`],
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[`structure.lattice_surface_color`, `#bbbbbb`],
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[`structure.cell_edge_color`, `#aaaaaa`],
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[`structure.cell_surface_color`, `#bbbbbb`],
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[`structure.force_color`, `#ffff00`],
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[`background_color`, `#111111`],
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‎package.json

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"homepage": "https://janosh.github.io/matterviz",
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"repository": "https://github.com/janosh/matterviz",
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"license": "MIT",
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"version": "0.1.5",
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"version": "0.1.6",
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"type": "module",
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"svelte": "./dist/index.js",
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"bugs": "https://github.com/janosh/matterviz/issues",

‎src/lib/io/index.ts

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async function load_binary_traj(
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resp: Response,
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filename: string,
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type: string,
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fallback = false,
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): Promise<ArrayBuffer | string> {
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try {
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const buffer = await resp.arrayBuffer()
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console.log(`Loaded ${type} as binary:`, { filename, size: buffer.byteLength })
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return buffer
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} catch (error) {
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if (fallback) {
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// For H5 files, always load as binary regardless of signature
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// to handle files that have .h5/.hdf5 extensions but may not have the proper HDF5 signature
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if ([`h5`, `hdf5`].includes(ext)) {
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const result = await load_binary_traj(resp, filename, `H5`, true)
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const result = await load_binary_traj(resp, `H5`, true)
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// Log warning if signature doesn't match (only for ArrayBuffer results)
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if (result instanceof ArrayBuffer && result.byteLength >= 8) {
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// For .traj files, ensure we always get ArrayBuffer for proper ASE parsing
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if (ext === `traj`) {
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const buffer = await load_binary_traj(resp, filename, `.traj`)
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const buffer = await load_binary_traj(resp, `.traj`)
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return callback(buffer, filename)
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}
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‎src/lib/settings.ts

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force_shaft_radius: SettingType<number>
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force_arrow_head_radius: SettingType<number>
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force_arrow_head_length: SettingType<number>
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show_lattice: SettingType<boolean>
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show_cell: SettingType<boolean>
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show_vectors: SettingType<boolean>
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lattice_edge_opacity: SettingType<number>
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lattice_surface_opacity: SettingType<number>
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lattice_edge_color: SettingType<string>
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lattice_surface_color: SettingType<string>
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lattice_line_width: SettingType<number>
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cell_edge_opacity: SettingType<number>
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cell_surface_opacity: SettingType<number>
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cell_edge_color: SettingType<string>
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cell_surface_color: SettingType<string>
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cell_line_width: SettingType<number>
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}
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// Trajectory viewer settings
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minimum: 0.05,
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maximum: 0.5,
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},
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show_lattice: {
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show_cell: {
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value: false,
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description: `Display unit cell lattice`,
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description: `Display system cell`,
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},
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show_vectors: {
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value: false,
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description: `Display lattice vectors`,
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description: `Display cell vectors`,
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},
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lattice_edge_opacity: {
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cell_edge_opacity: {
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value: 0.3,
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description: `Opacity of lattice edge lines`,
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description: `Opacity of cell edge lines`,
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minimum: 0,
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maximum: 1,
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},
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lattice_surface_opacity: {
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cell_surface_opacity: {
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value: 0.1,
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description: `Opacity of lattice surfaces`,
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description: `Opacity of cell surfaces`,
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minimum: 0,
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maximum: 1,
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},
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lattice_edge_color: {
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cell_edge_color: {
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value: `#808080`,
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description: `Color of lattice edges`,
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description: `Color of cell edges`,
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},
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lattice_surface_color: {
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cell_surface_color: {
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value: `#e0e0e0`,
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description: `Color of lattice surfaces`,
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description: `Color of cell surfaces`,
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},
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lattice_line_width: {
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cell_line_width: {
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value: 1.5,
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description: `Width of lattice edge lines`,
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description: `Width of cell edge lines`,
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minimum: 0.5,
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maximum: 5.0,
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},

‎src/lib/structure/Lattice.svelte

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}
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let {
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matrix = undefined,
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cell_edge_color = DEFAULTS.structure.lattice_edge_color,
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cell_surface_color = DEFAULTS.structure.lattice_surface_color,
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cell_line_width = DEFAULTS.structure.lattice_line_width,
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cell_edge_opacity = DEFAULTS.structure.lattice_edge_opacity,
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cell_surface_opacity = DEFAULTS.structure.lattice_surface_opacity,
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cell_edge_color = DEFAULTS.structure.cell_edge_color,
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cell_surface_color = DEFAULTS.structure.cell_surface_color,
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cell_line_width = DEFAULTS.structure.cell_line_width,
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cell_edge_opacity = DEFAULTS.structure.cell_edge_opacity,
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cell_surface_opacity = DEFAULTS.structure.cell_surface_opacity,
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show_vectors = true,
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vector_colors = [`red`, `green`, `blue`],
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vector_origin = [-1, -1, -1] as Vec3,

‎src/lib/structure/Structure.svelte

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ambient_light: DEFAULTS.structure.ambient_light,
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}),
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lattice_props = $bindable({
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cell_edge_opacity: DEFAULTS.structure.lattice_edge_opacity,
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cell_surface_opacity: DEFAULTS.structure.lattice_surface_opacity,
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cell_edge_color: DEFAULTS.structure.lattice_edge_color,
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cell_surface_color: DEFAULTS.structure.lattice_surface_color,
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cell_line_width: DEFAULTS.structure.lattice_line_width,
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cell_edge_opacity: DEFAULTS.structure.cell_edge_opacity,
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cell_surface_opacity: DEFAULTS.structure.cell_surface_opacity,
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cell_edge_color: DEFAULTS.structure.cell_edge_color,
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cell_surface_color: DEFAULTS.structure.cell_surface_color,
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cell_line_width: DEFAULTS.structure.cell_line_width,
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show_vectors: true,
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}),
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controls_open = $bindable(false),

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