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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\gto\ecp.py
8 5 -
A
pyscf\ao2mo\test\test_init.py
8 3 -
A
pyscf\ao2mo\test\test_r_outcore.py
8 2 -
A
pyscf\pbc\gto\_pbcintor.py
8 2 -
A
pyscf\pbc\df\test\test_rsdf_scf.py
7 1 -
A
pyscf\df\grad\uhf.py
7 3 -
A
pyscf\df\test\test_df.py
7 3 -
A
pyscf\dft\test\test_grids.py
7 5 -
A
pyscf\dft\xc\utils.py
7 2 -
A
pyscf\scf\cphf.py
7 4 -
A
pyscf\mcscf\test\test_ucasci.py
7 2 -
A
pyscf\mcscf\test\test_bz.py
7 1 -
A
pyscf\mcscf\test\test_bz_df.py
7 1 -
A
pyscf\pbc\tools\make_test_cell.py
7 3 -
A
pyscf\pbc\scf\scfint.py
7 1 -
A
pyscf\lo\test\test_localizer.py
7 4 -
A
pyscf\lo\edmiston.py
7 3 -
A
pyscf\pbc\mp\test\test_dm.py
7 1 -
A
examples\scf\56-h2_symm_breaking.py
7 1 -
A
examples\symm\33-lz_adaption.py
7 1 -