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qp2/docs/source/programs/molden.rst

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.. _molden:
.. program:: molden
======
molden
======
Produces a Molden file
Needs:
.. hlist::
:columns: 3
* :c:data:`ao_coef`
* :c:data:`ao_expo`
* :c:data:`ao_l`
* :c:data:`ao_num`
* :c:data:`ao_power`
* :c:data:`ao_prim_num`
* :c:data:`element_name`
* :c:data:`ezfio_filename`
* :c:data:`fock_matrix_mo`
* :c:data:`mo_coef`
* :c:data:`mo_num`
* :c:data:`mo_occ`
* :c:data:`nucl_charge`
* :c:data:`nucl_coord`
* :c:data:`nucl_list_shell_aos`
* :c:data:`nucl_num`
Calls:
.. hlist::
:columns: 3
* :c:func:`isort`