File: fleur.rst

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=====
FLEUR
=====

ASE support for modern FLEUR_ versions is provided by the Python package
`ase-fleur <https://github.com/JuDFTteam/ase-fleur>`_.

.. note::

   ASE previously included a FLEUR calculator in the core package.
   The module was removed in ase-3.23.0 due to lack of maintenance.

.. _FLEUR: http://www.flapw.de