NEP框架重构

This commit is contained in:
2025-12-09 11:05:28 +08:00
parent 42a6ba1ef6
commit 7b0db3c399

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@@ -1,4 +1,4 @@
potential ./nep89.txt
potential ./nep.txt
velocity 100
ensemble npt_mttk temp 100 400 aniso 0 0