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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\df\test\test_df_grad.py
3 1 2
A
examples\geomopt\11-with_ghost_atom.py
 1 -
A
pyscf\df\test\test_df_jk.py
18 3 2
A
examples\pbc\22-k_points_mp2.py
 2 1
A
pyscf\df\test\test_outcore.py
12 4 2
A
examples\ao2mo\11-ump2.py
1 1 2
A
pyscf\dft\dks.py
23 18 3
A
examples\pbc\23-smearing.py
 2 1
A
pyscf\dft\gen_libxc_param.py
 2 -
A
examples\geomopt\12-mcscf_excited_states.py
 2 1
A
pyscf\dft\test\test_libxc.py
14 12 2
A
pyscf\dft\test\test_he.py
11 2 1
A
pyscf\dft\test\test_grids.py
7 5 2
A
pyscf\dft\sap.py
5 1 -
A
pyscf\dft\r_numint.py
44 8 3
A
pyscf\dft\gks_symm.py
3 4 -
A
conda\build.sh
 3 -
A
examples\fci\33-rotate_wfn.py
 2 1
A
examples\pbc\05-input_pp.py
 1 1
A
pyscf\df\__init__.py
1 3 -