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Pymatgen Core
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取自仓库 README
正在加载完整 README。 以下为已保存的摘录。
pymatgen-core is the foundational subset of Pymatgen (Python Materials Genomics), the robust open-source Python library for materials analysis. It contains the core data structures, symmetry/lattice operations, and the I/O layer for many DFT/MD codes, with minimal dependencies. The full pymatgen package builds on top of pymatgen-core and adds higher-level analysis modules (phase diagrams, Pourbaix diagrams, diffusion analyses, etc.) and add-ons.
Some of the main features of pymatgen-core:查看完整 README ↗目前无法加载完整 README。请通过原文链接阅读。 以下为已保存的摘录。
pymatgen-core is the foundational subset of Pymatgen (Python Materials Genomics), the robust open-source Python library for materials analysis. It contains the core data structures, symmetry/lattice operations, and the I/O layer for many DFT/MD codes, with minimal dependencies. The full pymatgen package builds on top of pymatgen-core and adds higher-level analysis modules (phase diagrams, Pourbaix diagrams, diffusion analyses, etc.) and add-ons.
Some of the main features of pymatgen-core:查看完整 README ↗