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pyscf
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  • 281 issues
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  • 1,225 files
  • 1 active branch

CodeFactor Rating A

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Grade
Name
Complexity
Churn
Issues
A
examples\mcscf\41-state_average_custom_fci.py
10 1 -
A
examples\eph\01-finite_difference_eph.py
1 -
A
examples\mcscf\43-PiOS-C8H10.py
2 -
A
docker\pypa-env\build-wheels.sh
4 1
A
examples\mcscf\43-dmet_cas.py
1 -
A
examples\fci\01-given_h1e_h2e.py
1 -
A
examples\mcscf\50-casscf_then_dmrgscf.py
1 -
A
examples\agf2\07-scs_agf2.py
1 -
A
examples\mcscf\50-cornell_shci_casscf.py
1 -
A
examples\fci\10-spin.py
2 -
A
examples\mcscf\51-o2_triplet_by_various_fci.py
1 -
A
.github\workflows\run_tests.sh
4 -
A
examples\1-advanced\002-input_script.py
2 -
A
examples\agf2\10-dyson_orbitals.py
1 -
A
examples\fci\15-FCI_hamiltonian.py
1 -
A
examples\fci\30-h6_scan.py
1 -
A
examples\ao2mo\00-mo_integrals.py
2 -
A
examples\fci\31-apply_2nd_quantized_op.py
1 -
A
examples\fci\32-wfn_overlap.py
2 -
A
examples\fci\12-multiple_roots.py
3 -
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