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pyscf
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Name
Complexity
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Issues
A
pyscf\gto\eval_gto.py
15 5 -
A
pyscf\grad\test\test_casscf.py
15 10 -
A
pyscf\grad\ccsd_slow.py
15 7 -
A
pyscf\grad\test\test_h2o.py
15 3 -
A
pyscf\adc\__init__.py
15 6 -
A
pyscf\pbc\cc\test\test_eom_kuccsd_diag.py
15 3 -
A
pyscf\dft\radi.py
15 5 -
A
pyscf\mcscf\umc_ao2mo.py
15 5 -
A
pyscf\pbc\scf\test\test_addons.py
14 8 -
A
pyscf\pbc\mpicc\mpi_kpoint_helper.py
14 1 -
A
pyscf\lib\sparsetools\m_sparsetools.c
14 2 -
A
examples\pbc\33-soc_integrals.py
14 1 -
A
pyscf\pbc\scf\__init__.py
14 3 -
A
pyscf\lib\np_helper\omp_reduce.c
14 2 -
A
pyscf\mrpt\test\test_nevpt2.py
14 6 -
A
pyscf\pbc\gw\kgw_slow.py
14 2 -
A
pyscf\pbc\gto\pseudo\split_GTH_POTENTIALS.py
14 2 -
A
examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
A
pyscf\pbc\tdscf\test\test_kproxy_hf.py
14 1 -
A
pyscf\pbc\ci\cisd.py
14 4 -