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pyscf
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Complexity
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Issues
A
pyscf\dft\test\test_dks.py
3 2 -
A
examples\ao2mo\21-spin_orbit_coupling.py
 1 -
A
pyscf\dft\test\test_h2o.py
44 8 -
A
examples\pbc\30-ao_value_on_grid.py
 1 -
A
pyscf\dft\test\test_libxc.py
14 12 -
A
examples\grad\01-scf_grad.py
 2 -
A
pyscf\dft\test\test_r_numint.py
4 3 -
A
examples\pbc\30-overlap_periodic_cell.py
 1 -
A
examples\mcscf\24-callback.py
2 2 -
A
pyscf\cc\__init__.py
30 11 -
A
examples\1-advanced\031-density.py
 1 -
A
pyscf\cc\_ccsd.py
2 2 -
A
examples\agf2\03-photoemission_spectra.py
 1 -
A
examples\dft\31-xc_value_on_grid.py
 2 -
A
examples\mcscf\30-hf_scan\hf-scan-triplet.py
2 1 -
A
pyscf\cc\addons.py
21 3 -
A
examples\mcscf\30-hf_scan\hf-scan.py
2 1 -
A
pyscf\cc\ccd.py
13 1 -
A
pyscf\cc\ccsd_lambda.py
24 5 -
A
examples\dft\32-broken_symmetry_dft.py
 1 -