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feat(nttda): add analytic gradients for ROKS and AOCSCF - #18

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jingjjkkyj merged 18 commits into
NonDFT:mainfrom
wtpeter:jingjjkk/feature/dz0scf-gradient-clean
Sep 30, 2026
Merged

jingjjkkyj merged 18 commits into
NonDFT:mainfrom
wtpeter:jingjjkk/feature/dz0scf-gradient-clean

fix(nttda): preserve displaced settings and align state amplitudes

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succeeded Sep 27, 2026 in 11m 9s