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Some changes #89

Merged
merged 4 commits into from
Jan 15, 2024
Merged

Some changes #89

merged 4 commits into from
Jan 15, 2024

Commits on Jan 15, 2024

  1. Expose partial Cholesky orthogonalization in header

    @susilehtola
    susilehtola committed Jan 15, 2024
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  2. Expose another way to compute nuclear attraction matrices

    @susilehtola
    susilehtola committed Jan 15, 2024
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  3. Use pivoted Cholesky in determining auxiliary basis for density fitting

    @susilehtola
    susilehtola committed Jan 15, 2024
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  4. Density matrix digestion

    @susilehtola
    susilehtola committed Jan 15, 2024
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