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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\gto\test\test_ecp.py
27 8 -
A
pyscf\pbc\gto\pseudo\parse_cp2k.py
27 2 -
A
pyscf\pbc\df\mdf_ao2mo.py
27 5 1
A
pyscf\symm\sph.py
27 6 -
A
pyscf\cc\uccsd_rdm.py
27 10 1
A
pyscf\dft\gks.py
28 10 1
A
pyscf\fci\test\test_cistring.py
28 2 -
A
pyscf\grad\uks.py
28 11 -
A
pyscf\pbc\gto\basis\parse_cp2k.py
28 4 -
A
pyscf\lib\agf2\ragf2.c
28 1 -
A
pyscf\lib\gto\test\test_gridao.py
28 4 -
A
pyscf\lib\test\test_einsum.py
28 1 -
A
pyscf\adc\uadc_ao2mo.py
28 8 1
A
pyscf\mcscf\casci_symm.py
28 13 -
A
pyscf\pbc\dft\test\test_multigrid.py
28 2 -
A
pyscf\pbc\scf\_response_functions.py
28 2 1
A
pyscf\scf\diis.py
28 2 -
A
pyscf\pbc\dft\kuks.py
28 15 1
A
pyscf\eph\rhf.py
29 5 -
A
pyscf\geomopt\berny_solver.py
29 15 -