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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\gw\02-gw_exact.py
1
-
A
examples\solvent\01-casscf_with_ddcosmo.py
2
-
A
.github\workflows\publish.yml
7
-
A
examples\solvent\03-ccsd_with_ddcosmo.py
2
-
A
examples\gw\31-pbc_slow.py
1
-
A
examples\solvent\04-scf_with_pe.py
2
1
A
examples\cc\43-ccd.py
1
1
1
A
examples\solvent\21-tddft_equilibrium_solvation.py
1
-
A
examples\hessian\10-thermochemistry.py
1
1
A
examples\symm\30-guess_symmetry.py
2
1
A
examples\2-benchmark\n2.py
4
-
A
examples\local_orb\01-pop_with_nao.py
2
-
A
.codecov.yml
2
-
A
.github\workflows\ci_linux\build_pyscf.sh
7
1
A
.github\workflows\ci_macos\deps_apt.sh
2
-
A
conda\build.sh
3
-
A
examples\1-advanced\018-dmrg_casscf_for_feporph.py
3
1
1
A
examples\ao2mo\01-outcore.py
1
2
A
examples\fci\33-rotate_wfn.py
2
1
A
examples\pbc\05-input_pp.py
1
1
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