:mod:`ao2mo` --- Integral transformations
.. module:: ao2mo
:synopsis: transformations from AO to MO integrals for
various permutational and spin symmetries.
The :mod:`ao2mo` module implements transformations from AO to MO integrals for various permutational and spin symmetries.
:download:`examples/ao2mo/00-mo_integrals.py </../examples/ao2mo/00-mo_integrals.py>` :download:`examples/ao2mo/01-outcore.py </../examples/ao2mo/01-outcore.py>` :download:`examples/ao2mo/04-dirac_hf_mo_integrals.py </../examples/ao2mo/04-dirac_hf_mo_integrals.py>` :download:`examples/ao2mo/10-diff_orbs_for_ijkl.py </../examples/ao2mo/10-diff_orbs_for_ijkl.py>` :download:`examples/ao2mo/11-ump2.py </../examples/ao2mo/11-ump2.py>` :download:`examples/ao2mo/20-eri_grad_hess.py </../examples/ao2mo/20-eri_grad_hess.py>` :download:`examples/ao2mo/21-spin_orbit_coupling.py </../examples/ao2mo/21-spin_orbit_coupling.py>` :download:`examples/ao2mo/22-rkb_no_pair_ints.py </../examples/ao2mo/22-rkb_no_pair_ints.py>`
.. automodule:: pyscf.ao2mo :members:
.. automodule:: pyscf.ao2mo.incore :members:
.. automodule:: pyscf.ao2mo.semi_incore :members:
.. automodule:: pyscf.ao2mo.outcore :members:
.. automodule:: pyscf.ao2mo.addons :members: