From e11918b6cf045ed5199c8e4bc09b45034c01a3a0 Mon Sep 17 00:00:00 2001 From: koko <1429659362@qq.com> Date: Tue, 9 Dec 2025 09:25:16 +0800 Subject: [PATCH] =?UTF-8?q?nep=E6=A1=86=E6=9E=B6=E9=87=8D=E6=9E=84?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- config/param.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/config/param.yaml b/config/param.yaml index 0b2e433..cd9e86f 100644 --- a/config/param.yaml +++ b/config/param.yaml @@ -1,10 +1,10 @@ # param.yaml -project: "LiYCl_Auto" +project: "LGPS" # 1. 初始文件定义 (对应 data/ 目录) files: - poscar: "LiYCl.vasp" + poscar: "LGPS.vasp" potcar: "POTCAR" initial_pot: "nep89.txt" # 第一轮 MD 用的势函数