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pyscf
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Complexity
Churn
Issues
A
pyscf\tdscf\proxy.py
22 2 -
A
pyscf\cc\test\test_uccsd.py
22 9 -
A
pyscf\df\incore.py
23 14 -
A
pyscf\dft\dks.py
23 18 1
A
pyscf\pbc\scf\test\test_hf.py
23 3 -
A
pyscf\pbc\gto\pseudo\test\test_pp.py
23 2 -
A
pyscf\pbc\gto\test\test_cell.py
23 6 -
A
pyscf\geomopt\geometric_solver.py
23 14 1
A
pyscf\grad\cisd.py
23 14 -
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pyscf\grad\lagrange.py
23 7 -
A
pyscf\pbc\grad\krks.py
23 4 -
A
pyscf\grad\tdrhf.py
23 13 -
A
pyscf\gto\ft_ao.py
23 6 -
A
pyscf\lib\dft\xcfun_itrf.c
23 4 1
A
pyscf\lib\test\test_numpy_helper.py
23 6 -
A
pyscf\agf2\dfuagf2.py
23 3 -
A
pyscf\pbc\ao2mo\eris.py
23 2 -
A
pyscf\pbc\cc\kccsd_t_rhf_slow.py
23 6 1
A
pyscf\ao2mo\incore.py
23 7 -
A
pyscf\tdscf\uks.py
23 18 -