koko/NEP-auto
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koko f95f4011d4 nep框架重构 02.scf增加了vdw势
2025-12-11 20:18:59 +08:00
.idea
nep框架搭建
2025-12-08 22:05:06 +08:00
config
nep框架重构 01.select修复
2025-12-11 16:16:27 +08:00
data
nep框架重构
2025-12-09 01:15:38 +08:00
src
nep框架重构 02.scf增加了vdw势
2025-12-11 20:18:59 +08:00
template
nep框架重构 03.train
2025-12-10 19:31:05 +08:00
main.py
nep框架重构
2025-12-09 01:15:38 +08:00
README.md
nep框架搭建
2025-12-08 17:14:27 +08:00

README.md

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Readme 624 KiB
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Python 100%