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pyscf
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Complexity
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Issues
A
pyscf\fci\direct_spin0_symm.py
50 7 -
A
examples\1-advanced\033-constrained_dft.py
50 1 -
A
pyscf\hessian\uhf.py
50 8 1
A
pyscf\lib\vhf\hessian_screen.c
50 5 -
A
pyscf\solvent\test\test_ddcosmo_grad.py
50 4 -
A
pyscf\gto\basis\__init__.py
51 7 1
A
pyscf\pbc\scf\newton_ah.py
52 8 1
A
pyscf\lib\np_helper\pack_tril.c
52 4 -
A
pyscf\pbc\df\aft_jk.py
52 5 1
A
pyscf\pbc\tdscf\test\test_common.py
53 1 1
A
pyscf\df\df_jk.py
53 30 1
A
pyscf\pbc\mpitools\mpi.py
53 4 -
A
pyscf\grad\ccsd.py
53 16 1
A
pyscf\pbc\cc\test\test_kgccsd.py
53 2 -
A
pyscf\cc\test\test_eom_rccsd.py
53 3 -
A
pyscf\pbc\lib\arnoldi.py
53 3 -
A
pyscf\pbc\tools\lattice.py
54 3 2
A
pyscf\fci\direct_ep.py
54 4 -
A
pyscf\pbc\df\aft_ao2mo.py
54 9 1
A
pyscf\cc\qcisd.py
55 1 1