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Second order SCF for PBC DFT#799

Merged
sunqm merged 12 commits into
pyscf:masterfrom
sunqm:multigrid-orbital-hessian
Jun 28, 2026
Merged

Second order SCF for PBC DFT#799
sunqm merged 12 commits into
pyscf:masterfrom
sunqm:multigrid-orbital-hessian

Clean up

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single-gpu
succeeded Jun 27, 2026 in 1h 24m 56s