ase
claudeAtomistic structure manipulation, file-format conversion, supercells, surfaces, and geometry optimization with ASE
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claude
pymatgen
Crystal structures, materials file-format conversion, and phase diagrams with pymatgen
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Plugin pymatgen from marketplace multiscale-materials-modelling-marketplace in WuGroup-XJTLU/cc-skills-ZhenghaoWu-Group. Commands read from the repo's manifest — 1 month ago.
What it installs
Skills (1)
pymatgenUse when working with crystal structures in Python, converting materials file formats (CIF, POSCAR, XYZ), querying the Materials Project database, or computing phase diagrams and electronic structure properties.
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