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pyscf
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Issues
A
examples\mcscf\21-active_space_symmetry.py
 2 -
A
pyscf\ao2mo\test\bz_nr.py
 3 -
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docker\conda-env\Dockerfile
 2 1
A
pyscf\ao2mo\test\test_incore.py
4 3 2
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examples\mcscf\22-x2c.py
 1 2
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pyscf\ao2mo\test\test_outcore.py
9 1 3
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examples\dft\30-ao_value_on_grid.py
 1 2
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pyscf\ao2mo\test\test_semi_incore.py
7 5 2
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examples\mcscf\24-callback.py
2 2 1
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pyscf\cc\_ccsd.py
2 2 1
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examples\agf2\03-photoemission_spectra.py
 1 -
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pyscf\cc\ccsd_rdm.py
31 14 -
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pyscf\cc\ccsd_lambda.py
24 5 8
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examples\mcscf\30-hf_scan\hf-scan.py
2 1 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 1
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examples\ao2mo\01-outcore.py
 1 2
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examples\fci\33-rotate_wfn.py
 2 1
A
examples\pbc\05-input_pp.py
 1 1