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improves the robustness of VASP OUTCAR energy extraction - #24

Merged

floatingCatty merged 4 commits into

deepmodeling:mainfrom

AsymmetryChou:etot_add

Nov 26, 2025

Merged

improves the robustness of VASP OUTCAR energy extraction#24
floatingCatty merged 4 commits into
deepmodeling:mainfrom
AsymmetryChou:etot_add

Commits on Nov 22, 2025
- 更新 read_total_energy 方法以返回 np.float64 类型，并添加成功完成的检查和相应的警告日志
   AsymmetryChou
  committed
  dd5b436
- add unit test
  AsymmetryChou
  committed
  be47a3a
Commits on Nov 23, 2025
- 增强警告信息以指示OUTCAR文件未成功完成
   AsymmetryChou
  committed
  36e3765
- Merge branch 'main' into etot_add
  AsymmetryChou
  committed
  317869d