nep框架重构

2025-12-09 09:20:37 +08:00
parent 91bdb0dab1
commit 90e3d95b16
5 changed files with 45 additions and 0 deletions
--- a/template/03.train/nep.in
+++ b/template/03.train/nep.in
@@ -0,0 +1,4 @@
+type 4 Li Ge P S
+zbl 2
+cutoff 6 5
+generation 100000