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master
pyscf
281
issues
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pull requests
1,225
files
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CodeFactor Rating A
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Grade
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
-
A
examples\cc\43-ccd.py
1
1
-
A
examples\solvent\21-tddft_equilibrium_solvation.py
1
-
A
examples\hessian\10-thermochemistry.py
1
-
A
examples\symm\30-guess_symmetry.py
2
-
A
examples\2-benchmark\n2.py
4
-
A
examples\ao2mo\00-mo_integrals.py
2
-
A
examples\fci\31-apply_2nd_quantized_op.py
1
-
A
examples\mrpt\41-for_state_average.py
1
-
A
examples\nmr\crco6-nr-msc.py
1
-
A
examples\fci\32-wfn_overlap.py
2
-
A
examples\pbc\00-input_cell.py
1
-
A
examples\pbc\04-input_basis.py
1
-
A
examples\local_orb\01-pop_with_nao.py
2
-
A
.codecov.yml
2
-
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