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pyscf
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A
pyscf\pbc\gto\test\test_pbcintor.py
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examples\nmr\crco6-nr-msc.py
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pyscf\pbc\gw\__init__.py
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pyscf\data\elements.py
43 11 -
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pyscf\pbc\gw\kgw_slow.py
14 2 -
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examples\fci\32-wfn_overlap.py
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pyscf\pbc\gw\krgw_ac.py
87 4 2
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pyscf\data\nist.py
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pyscf\pbc\gw\kugw_ac.py
93 4 2
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examples\pbc\04-input_basis.py
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pyscf\pbc\gw\test\test_kugw.py
2 1 -
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pyscf\data\radii.py
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.codecov.yml
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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examples\pbc\05-input_pp.py
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