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这是一个简单的技术科普教程项目，主要聚焦于解释一些有趣的，前沿的技术概念和原理。每篇文章都力求在 5 分钟内阅读完成。
A book on modeling materials using VASP, ase and vasp
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Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
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