一些小修改

2025-11-19 12:23:17 +08:00
parent 95d719cc1e
commit 80ae03c8c1
25 changed files with 2291 additions and 17 deletions
--- a/MSD/main.py
+++ b/MSD/main.py
@@ -1,7 +1,7 @@
 from utils.MSD import *

 if __name__ == '__main__':
-    # file_path_li = 'data/msd_li.dat'
+    # file_path_li = 'raw/msd_li.dat'
    # final_msd = plot_and_get_final_msd(file_path_li, ion_name='Li⁺')

    num_li_ions = 144  # !! 请务必用您体系的真实值替换此示例值 !!