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Improve DF task granularity for large fitting bases - #970

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zc62 wants to merge 2 commits into
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zc62:df-task-granularity
Open

Improve DF task granularity for large fitting bases#970
zc62 wants to merge 2 commits into
pyscf:masterfrom
zc62:df-task-granularity

df: subdivide whole auxiliary groups in Coulomb-only contractions

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single-gpu
succeeded Oct 17, 2026 in 59m 27s