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qp2/docs/source/programs/diagonalize_h.rst

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.. _diagonalize_h:
.. program:: diagonalize_h
=============
diagonalize_h
=============
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Program that extracts the :option:`determinants n_states` lowest states of the Hamiltonian within the set of Slater determinants stored in the EZFIO folder.
If :option:`determinants s2_eig` = True, it will retain only states
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which corresponds to the desired value of :option:`determinants expected_s2`.
Needs:
.. hlist::
:columns: 3
* :c:data:`read_wf`
Calls:
.. hlist::
:columns: 3
* :c:func:`routine`
Touches:
.. hlist::
:columns: 3
* :c:data:`read_wf`