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pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

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foryourhealth111-pixel
์—…๋ฐ์ดํŠธ๋จ 2026. 3. 3.
์Šคํƒ€
1349
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105
quick start

Installation and usage

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

์„ค์น˜
$ install --globalskills.sh
์‚ฌ์šฉ๋ฒ•

์„ค์น˜ ํ›„ ํ„ฐ๋ฏธ๋„์—์„œ ๋‹ค์Œ ๋ช…๋ น์„ ์‹คํ–‰ํ•˜์—ฌ ์ด ์Šคํ‚ฌ์„ ์‚ฌ์šฉํ•  ์ˆ˜ ์žˆ์Šต๋‹ˆ๋‹ค:

skills use pymatgen