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pyscf
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Issues
A
examples\pbc\33-soc_integrals.py
14 1 -
A
pyscf\scf\hf_symm.py
170 17 3
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pyscf\eph\test\test_rhf.py
2 1 -
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pyscf\scf\rohf.py
95 14 1
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examples\cc\00-simple_ccsd.py
 2 -
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pyscf\scf\stability_slow.py
34 4 -
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pyscf\eph\test\test_uhf.py
2 2 -
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pyscf\scf\test\test_bz.py
2 1 -
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examples\pbc\35-gaussian_density_fit.py
 2 -
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pyscf\eph\uhf.py
8 3 -
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.codecov.yml
 2 -
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
 1 -
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examples\fci\33-rotate_wfn.py
 2 -
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examples\pbc\05-input_pp.py
 1 -
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pyscf\df\__init__.py
1 3 -
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pyscf\pbc\lib\chkfile.py
3 4 -