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master
pyscf
343
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1,225
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CodeFactor Rating B+
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Name
Complexity
Churn
Issues
A
examples\gto\00-input_mole.py
2
-
A
examples\pbc\24-k_points_vs_gamma.py
3
-
A
.github\workflows\ci.yml
10
-
A
examples\pbc\30-ao_value_on_grid.py
1
-
A
examples\gto\04-input_basis.py
3
-
A
examples\pbc\12-gamma_point_post_hf.py
2
-
A
examples\2-benchmark\benchmarking_utils.py
6
1
-
A
examples\pbc\21-k_points_all_electron_scf.py
5
-
A
examples\mp\12-dfump2-natorbs.py
1
-
A
examples\pbc\04-input_basis.py
1
-
A
examples\gto\11-basis_info.py
2
-
A
examples\qmmm\30-force_on_mm_particles.py
8
2
-
A
examples\scf\02-rohf_uhf.py
2
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A
examples\scf\02-ghf.py
1
-
A
examples\mcscf\31-cr2_scan\cr2-scan.py
2
1
-
A
examples\local_orb\08-cholesky.py
1
-
A
examples\gw\10-custom_screening.py
1
-
A
examples\gw\01-gw_cd.py
1
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A
examples\2-benchmark\c60.py
2
-
A
.github\workflows\ci_macos\deps_apt.sh
2
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