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OR Apache-2.0","homepage":"https://github.com/spglib/moyo#readme","repository":{"url":"git+https://github.com/spglib/moyo.git","type":"git"},"description":"WebAssembly bindings for moyo crystal symmetry analysis","maintainers":[{"name":"lan496","email":"kshinohara0508@gmail.com"},{"name":"janosh","email":"janosh.riebesell@gmail.com"}],"readme":"# moyo-wasm\n\n[![image](https://img.shields.io/npm/v/%40spglib%2Fmoyo-wasm)](https://www.npmjs.com/package/@spglib/moyo-wasm)\n\nJavaScript and WebAssembly interface of [moyo](https://github.com/spglib/moyo), a fast and robust crystal symmetry finder.\n\n- npm: <https://www.npmjs.com/package/@spglib/moyo-wasm>\n\n## Installation\n\n```shell\nnpm install @spglib/moyo-wasm\n# or from a cloned repo during development\nnpm install file:/path/to/moyo/moyo-wasm/pkg\n```\n\n## Usage\n\nInitialize and analyze a structure:\n\n```ts\nimport init, { analyze_cell, type MoyoDataset, type MoyoCell } from '@spglib/moyo-wasm'\nimport wasm_url from '@spglib/moyo-wasm/moyo_wasm_bg.wasm?url'\n\nawait init(wasm_url)\n\n// Cartesian basis vectors a, b, c; fractional positions; atomic numbers\nconst cell: MoyoCell = {\n  lattice: { basis: [ax, ay, az, bx, by, bz, cx, cy, cz] },\n  positions: [[fx, fy, fz], ...],\n  numbers: [int, ...],\n}\nconst result: MoyoDataset = analyze_cell(JSON.stringify(cell), 1e-4, 'Standard')\nconsole.log(`Space group: ${result.number} (${result.hm_symbol})`)\nconsole.log(`Hall number: ${result.hall_number}`)\nconsole.log(`Pearson: ${result.pearson_symbol}`)\nconsole.log(`# operations: ${result.operations.length}`)\nconsole.log(`Wyckoffs: ${result.wyckoffs.join(', ')}`)\n```\n\nThe package exports TypeScript types generated from Rust (e.g. `MoyoDataset`).\n\n## Standardized cells and handedness\n\n`analyze_cell` accepts either input handedness. A passive basis change, with\nfractional positions transformed consistently, preserves the physical\nspace-group type. Physically reflecting a crystal instead exchanges the members\nof an enantiomorphic pair.\n\nBoth `std_cell` and `prim_std_cell` have right-handed bases. Their coordinate\ntransformations, `std_linear` and `prim_std_linear`, have negative determinants\nfor left-handed input and positive determinants for right-handed input.\n`std_rotation_matrix` is a proper Cartesian rotation with determinant +1.\n\nAll flat matrix fields use column-major storage: element `(i, j)` is at index\n`i + 3*j`. In particular, `lattice.basis` concatenates the three Cartesian basis\nvectors. With these column-wise matrices, the selected coordinates satisfy\n`A_selected = A_input * std_linear` and\n`x_selected = inverse(std_linear) * (x_input - std_origin_shift)`.\nLattice and position refinement follow this coordinate selection, then the\nCartesian rotation is applied. See the\n[returned-cell specification](https://spglib.github.io/moyo/standardization/#returned-cell-specification)\nfor the symmetric refinement and primitive/conventional relation.\n\n## Development\n\nRun from the repo root with `just` (or the equivalent npm commands from this directory):\n\n```shell\njust js-install   # npm install\njust js-build     # wasm-pack build --target web --release --scope spglib\njust js-test      # npm test\n```\n\nThe package code ready for publishing is generated in `moyo-wasm/pkg`. It is published to npm by CI when a new git tag is pushed to the monorepo.\n\n## How to cite moyo-wasm\n\nSee the citation information in [the root README](https://github.com/spglib/moyo/blob/main/README.md)\n","readmeFilename":"README.md"}