项目作者: blokhin

项目描述 :
SpglibJS: C crystal symmetry library transpiled to JavaScript for in-browser usage. See in action online
高级语言: HTML
项目地址: git://github.com/blokhin/spglibjs.git
创建时间: 2015-09-15T21:48:05Z
项目社区:https://github.com/blokhin/spglibjs

开源协议:MIT License

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SpglibJS

DOI

This is Spglib library ported for the web with LLVM and Emscripten.
Follow the tutorial at the Emscripten website to learn details about transpilation of C source code to JavaScript.

Now to determine crystalline symmetry you need only a browser (without any plugins). This is a pure experiment, and to foster any possible ideas and usecases I created an example web-app (validator.html), providing symmetry validation functionality for CIF or POSCAR files. An explicit symmetry information is absent in POSCARs and often omitted in CIFs, so this web-app provides a quick way of checking the symmetry for such cases. No server is used after page loading, so it is possible to drop a file there and check it without Internet connection (and without any concerns about privacy).

I thank Dr. Atsushi Togo-san for Spglib.

See SpglibJS online.
More info in the blog: https://blog.tilde.pro/handle-crystalline-symmetry-in-browser-using-pure-javascript-6bb01b99d170