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ase-atomistic
Atomic Simulation Environment (ASE) for atomistic simulations: structure building, geometry optimization, NEB, molecular dynamics, and trajectory analysis.
maintainer
xjtulyc
์
๋ฐ์ดํธ๋จ 2026. 3. 17.
์คํ
20
ํฌํฌ
5
quick start
Installation and usage
Atomic Simulation Environment (ASE) for atomistic simulations: structure building, geometry optimization, NEB, molecular dynamics, and trajectory analysis.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use ase-atomistic