pymatgen-materials
Materials science computation with pymatgen. Use when: (1) crystal structure creation and manipulation, (2) phase diagram construction, (3) electronic structure analysis, (4) symmetry and space group operations, (5) VASP input/output parsing. NOT for: molecular chemistry (use rdkit-chemistry), protein structure (use biopython-bio), or general numerical computation (use scipy-analysis).
Installation and usage
Materials science computation with pymatgen. Use when: (1) crystal structure creation and manipulation, (2) phase diagram construction, (3) electronic structure analysis, (4) symmetry and space group operations, (5) VASP input/output parsing. NOT for: molecular chemistry (use rdkit-chemistry), protein structure (use biopython-bio), or general numerical computation (use scipy-analysis).
安裝後，您可以透過在終端機執行以下指令來使用此技能：
skills use pymatgen-materials