![]() ![]() It is used in the well-established Materials Project. Pymatgen also comes with a complete system for handling periodic boundary conditions. This means that coordinate manipulations are fast. Many of the core numerical methods in pymatgen have been optimized by vectorizing in numpy/ scipy. Contributing to pymatgen means your research becomes more visible, which translates to greater impact. We will attribute any code you contribute to any publication you specify. It also means that pymatgen is continuously being improved. You are free to use and contribute to pymatgen. A fairly comprehensive documentation has been written to help you get to grips with it quickly. Pymatgen also uses Github Actions for continuous integration, which ensures that every new code passes a comprehensive suite of unit tests. Bugs tend to be found and corrected quickly. The analysis it produces survives rigorous scrutiny every single day. ![]() Pymatgen is used by thousands of researchers and is the analysis code powering the Materials Project.
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