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pyscf
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Complexity
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Issues
A
pyscf\agf2\chempot.py
11 2 -
A
pyscf\pbc\tdscf\test\test_krhf_slow_gamma.py
11 1 -
A
pyscf\agf2\test\test_ragf2_h2o.py
11 2 -
A
pyscf\fci\test\test_spin1.py
11 2 -
A
pyscf\pbc\tdscf\test\test_kproxy_ks.py
11 1 -
A
pyscf\pbc\df\mdf_jk.py
11 4 -
A
pyscf\cc\ccsd_t_rdm_slow.py
11 5 -
A
pyscf\cc\ccsd_t_slow.py
11 5 -
A
pyscf\cc\qcisd_t.py
11 2 -
A
pyscf\cc\test\test_ccsd_t.py
11 3 -
A
pyscf\dft\test\test_he.py
11 2 -
A
pyscf\pbc\df\test\test_df_jk.py
11 5 -
A
pyscf\solvent\test\test_ddcosmo_tdscf_grad.py
10 1 -
A
pyscf\mcscf\newton_casscf_symm.py
10 3 -
A
examples\pbc\40-customize_kpts_hamiltonian.py
10 2 -
A
pyscf\pbc\tools\test\test_pbc.py
10 3 -
A
pyscf\lib\scipy_helper.py
10 2 -
A
pyscf\lib\pbc\optimizer.c
10 1 -
A
pyscf\pbc\tools\pyscf_ase.py
10 3 -
A
pyscf\pbc\gto\basis\__init__.py
10 3 -