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pyscf
pyscf-forge
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add double hybrid module
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#549:
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#196
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add double hybrid module
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add double hybrid module
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feat: pbc.lo - native Maximally Localized Wannier Functions (#190)
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feat: pbc.lo - native Maximally Localized Wannier Functions
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new casida solver (#194)
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add GHF-based pprpa and gradient for rpprpa
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new casida solver
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Debug PySCF 2.13.0 (#191) (#192)
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Merge pull request #193 from kylebystrom/fix_ccsd
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Debug PW mode unit tests for PySCF 2.13
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Merge pull request #189 from ankit76/afqmc
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feat: pbc.lo - native Maximally Localized Wannier Functions
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AFQMC
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Merge pull request #188 from jinyuchem/fast_ulnoccsd_t_pr
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