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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\pbc\grad\kuks.py
19 4 -
A
pyscf\tools\c60struct.py
19 3 -
A
pyscf\pbc\gw\kgw_slow_supercell.py
18 1 -
A
pyscf\pbc\scf\test\test_newton.py
18 3 -
A
pyscf\solvent\_attach_solvent.py
18 6 -
A
pyscf\grad\casscf.py
18 10 -
A
pyscf\fci\selected_ci_spin0.py
18 5 -
A
pyscf\df\test\test_df_jk.py
18 3 -
A
pyscf\agf2\ragf2_slow.py
18 3 -
A
pyscf\mcscf\umc2step.py
18 4 1
A
pyscf\x2c\test\test_x2c_grad.py
18 1 -
A
pyscf\solvent\__init__.py
18 8 -
A
pyscf\pbc\dft\test\test_numint.py
17 4 -
A
pyscf\lib\vhf\fill_nr_s8.c
17 4 -
A
pyscf\pbc\grad\kuhf.py
17 2 -
A
pyscf\scf\test\test_h2o_vdz.py
17 1 -
A
pyscf\scf\test\test_addons.py
17 2 -
A
pyscf\cc\test\test_eom_uccsd.py
17 5 -
A
pyscf\pbc\tdscf\krhf_slow_gamma.py
17 2 -
A
pyscf\mp\__init__.py
17 8 -