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Pull requests: pyscf/gpu4pyscf

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Pull requests list

More PBC modules
#264 opened Dec 3, 2024 by sunqm • Draft
Clean up one electron integral python code according to new convention
#263 opened Dec 2, 2024 by henryw7 Loading…
Minor optimization in Rys integrals
#262 opened Dec 2, 2024 by wxj6000 • Draft
Direct scf mix precision trial
#214 opened Sep 25, 2024 by henryw7 Loading…
DFT with small batch grids
#193 opened Aug 7, 2024 by wxj6000 • Draft
1 of 3 tasks
v1.2
4
Add eval_rho kernel
#184 opened Jul 22, 2024 by wxj6000 • Draft
ProTip! Exclude everything labeled bug with -label:bug.