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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\scf\atom_hf.py
30 11 -
A
pyscf\grad\uccsd.py
42 11 1
A
pyscf\symm\geom.py
213 11 2
A
pyscf\lib\vhf\optimizer.c
58 11 -
A
pyscf\dft\test\test_xcfun.py
14 11 -
A
pyscf\cc\rccsd_slow.py
131 10 -
A
pyscf\cc\gccsd_rdm.py
16 10 -
A
pyscf\cc\eom_uccsd.py
173 10 1
A
pyscf\grad\mp2.py
24 10 -
A
pyscf\grad\casscf.py
18 10 -
A
pyscf\lib\dft\libxc_itrf.c
118 10 1
A
pyscf\dft\gks.py
28 10 1
A
pyscf\pbc\df\df_jk.py
85 10 1
A
pyscf\pbc\cc\kintermediates.py
105 10 -
A
.github\workflows\ci.yml
 10 -
A
pyscf\gto\test\test_basis_parser.py
24 10 -
A
pyscf\fci\selected_ci_symm.py
36 10 -
A
pyscf\pbc\df\fft.py
57 10 -
A
pyscf\pbc\dft\kroks.py
6 10 -
A
pyscf\adc\uadc.py
274 10 4