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pyscf
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Complexity
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Issues
A
pyscf\scf\cphf.py
7 4 -
A
pyscf\lib\ao2mo\test\test_ao2mo.py
7 1 -
A
pyscf\agf2\test\test_dfragf2_h2o.py
7 1 -
A
pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
A
pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
A
pyscf\pbc\mp\test\test_dm.py
7 1 -
A
pyscf\ao2mo\test\test_addons.py
7 1 -
A
pyscf\ao2mo\test\test_semi_incore.py
7 5 -
A
pyscf\pbc\tools\make_test_cell.py
7 3 -
A
pyscf\grad\test\test_tdrhf_grad.py
7 2 -
A
pyscf\pbc\gto\pseudo\__init__.py
7 2 -
A
pyscf\grad\test\test_cisd.py
7 3 -
A
examples\mcscf\70-casscf_optimize_scheduler.py
7 1 -
A
pyscf\pbc\scf\scfint.py
7 1 -
A
pyscf\ci\test\test_ucisd.py
7 2 -
A
pyscf\data\nucprop.py
7 1 -
A
pyscf\pbc\dft\test\test_gen_grid.py
6 2 -
A
pyscf\pbc\dft\kroks.py
6 10 -
A
pyscf\pbc\df\test\test_rsdf.py
6 1 -
A
pyscf\pbc\dft\__init__.py
6 3 -