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Study Notes of Computational Materials Science
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82
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Update main.tex and Readme.md: Outline roadmap for production-grade DFT code
c544c11View on GitHubRefactor DFT.py: Optimize charge density and correlation potential calculations
a0a4f2aView on GitHubUpdate main.tex and Readme.md: Add detailed explanation of radial cutoffs
630708cView on GitHubRevise Readme.md: Add index description in 2.4 Thomas Algorithm.
db0cb38View on GitHubUpdate Readme.md: Add figures for Radial Wavefunction Comparison and Kohn-Sham Potential Components
99ce5adView on GitHubRevise Readme.md: update section titles and enhance clarity in numerical observations and conclusions
c1becfdView on GitHubEnhance plotting in main.py: add vertical lines and labels for analytical max value
6a4f2cbView on GitHubEnhance plotting in main.py: add vertical lines and labels for max/min values
fa5ccccView on GitHubEnhance plotting in main.py: improve layout and add difference plots
d35986dView on GitHubRefactor DFT.py and DFTjit.py: remove norm tracking and fix log display bug
7128821View on GitHub