1.6 release#265
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sunqm merged 926 commits intopyscf:masterfrom Jan 1, 2019
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Conflicts: pyscf/pbc/cc/kccsd_rhf.py
Change "mol = self.mol" to "mol = ks.mol" in get_veff because "self" is undefined and the first positional argument of get_veff is "ks." Compare rks.py get_veff and dks.py get_veff functions.
…efix Fix NameError bug in uks.py get_veff
Conflicts: pyscf/pbc/cc/eom_kccsd_uhf.py pyscf/pbc/cc/kintermediates_uhf.py
Conflicts: pyscf/__init__.py
Conflicts: pyscf/pbc/mpicc/kccsd_rhf.py
Conflicts: pyscf/pbc/cc/kccsd_uhf.py
mf._cderi requires the h5py file object ("file1"), not the
dataset object ("file1['j3c']"). Obsolete API?
Update MCSCF density fitting example
Conflicts: pyscf/pbc/dft/rks.py
Conflicts: README.md pyscf/__init__.py
jtkrogel
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Jan 29, 2026
replace sherman_morrison_ms
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