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explain dft and its benefits
- #185
#185
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HichamAmer
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pyscf:master
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HichamAmer:codex/explain-dft-and-its-benefits
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explain dft and its benefits
#185
HichamAmer
wants to merge 7 commits into
pyscf:master
pyscf/pyscf.github.io:master
from
HichamAmer:codex/explain-dft-and-its-benefits
HichamAmer/pyscf.github.io:codex/explain-dft-and-its-benefits
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Commits on Dec 9, 2025
Add Cu complex geomopt example with correct spin setup
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Improve Cu complex example parameters
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Commits on Dec 18, 2025
Merge pull request #1 from HichanBen/codex/fix-electron-number-and-spin-mismatch
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Commits on Dec 20, 2025
Add DFT overview and analysis snippet
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Commits on Mar 9, 2026
Merge branch 'pyscf:master' into codex/explain-dft-and-its-benefits
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Commits on Mar 10, 2026
Update 17-cu_complex.py
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Commits on Mar 31, 2026
Change DFT method from UKS to KS
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