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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\lib\vhf\hessian_screen.c
50 5 -
A
examples\1-advanced\033-constrained_dft.py
50 1 -
A
pyscf\hessian\uhf.py
50 8 1
A
pyscf\solvent\test\test_ddcosmo_grad.py
50 4 -
A
pyscf\fci\direct_spin0_symm.py
50 7 -
A
pyscf\mp\gmp2.py
49 16 -
A
pyscf\pbc\scf\stability.py
49 9 1
A
pyscf\lo\orth.py
48 9 1
A
pyscf\ao2mo\addons.py
47 4 1
A
pyscf\pbc\df\test\test_aft.py
46 6 -
A
pyscf\gw\gw_exact.py
46 2 -
A
pyscf\gto\basis\parse_molpro.py
46 7 -
A
pyscf\soscf\ciah.py
46 5 1
A
pyscf\pbc\df\outcore.py
46 7 2
A
pyscf\lib\vhf\rkb_screen.c
45 6 -
A
pyscf\pbc\lib\kpts_helper.py
45 2 -
A
pyscf\dft\test\test_h2o.py
44 8 -
A
pyscf\pbc\gto\pseudo\pp_int.py
44 3 -
A
pyscf\pbc\cc\kccsd_t.py
44 6 1
A
pyscf\dft\r_numint.py
44 8 -