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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\pbc\cc\eom_kccsd_rhf_ip.py
12 1 -
A
pyscf\grad\test\test_rks.py
12 4 -
A
pyscf\qmmm\itrf.py
12 14 -
A
pyscf\pbc\df\test\test_rsdf_ao2mo.py
12 1 -
A
pyscf\pbc\cc\test\test_eom_kgccsd_diag.py
12 3 -
A
pyscf\pbc\mp\test\test_kpoint.py
12 6 -
A
pyscf\pbc\df\test\test_df_ao2mo.py
12 3 -
A
pyscf\df\test\test_outcore.py
12 4 -
A
pyscf\x2c\sfx2c1e_grad.py
12 5 -
A
pyscf\cc\uccsd_t_rdm.py
12 4 -
A
pyscf\pbc\df\mdf_jk.py
11 4 -
A
pyscf\lib\test\test_diis.py
11 1 -
A
pyscf\pbc\tdscf\test\test_krhf_slow_gamma.py
11 1 -
A
pyscf\lib\cc\ccsd_grad.c
11 3 -
A
pyscf\grad\ump2.py
11 6 -
A
pyscf\mp\test\test_ump2.py
11 4 -
A
pyscf\pbc\gto\basis\split_HFX_BASIS.py
11 2 -
A
pyscf\fci\test\test_spin1.py
11 2 -
A
pyscf\agf2\chempot.py
11 2 -
A
pyscf\agf2\test\test_ragf2_h2o.py
11 2 -