Optimize memory usage in numint.eval_xc_eff#787

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sunqm merged 6 commits into

pyscf:masterfrom

sunqm:eval_xc_mem_usage

Jun 15, 2026

Commits on Jun 12, 2026

Reduce eval_xc memory footprint by evaluating large grid sets in blocks
sunqm
committed
Change the eval_xc_eff return value. exc is returned as a vector rather than (N,1) array.
sunqm
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Commits on Jun 13, 2026

Commits on Jun 14, 2026

bugfixes
sunqm
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Commits on Jun 15, 2026

fix workspace size
sunqm
committed