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Pull requests: pyscf/pyscf

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Pull requests list

Fix a batch of C-side correctness bugs across pbc, gto, vhf, dft, mcscf, ao2mo, mp, agf2
#3214 opened May 17, 2026 by susilehtola Contributor Loading…
6
Add support for having ECPs in MM embedding
#3172 opened Mar 24, 2026 by bogdanoff Contributor Loading…
3
improve memory handling in the ccdf gdf builder
#3143 opened Feb 23, 2026 by gauravharsha Loading…
Add PBC lo + Refactor molecular lo
#3127 opened Feb 15, 2026 by hongzhouye Contributor Loading…
9
Add DF complex RCCSD
#3114 opened Feb 4, 2026 by RHSong Loading…
3
Change default breaksym to False in _from_rhf_init_dm to improve GHF convergence
#3057 opened Nov 21, 2025 by puzhichen Contributor Loading…
4
ProTip! Adding no:label will show everything without a label.