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Docs: Explicitly state that AiiDA's Group API and CLI can be used
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It is not directly obvious to users that AiiDA's group APIs can be used
with pseudopotential families since they are simply groups themselves.
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sphuber committed Jan 19, 2024
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Expand Up @@ -53,6 +53,12 @@ Families
========

Having loose pseudopotentials floating around is not very practical, so groups of related pseudopotentials can be organized into "families", which are implemented as group plugins with the base class :py:class:`~aiida_pseudo.groups.family.PseudoPotentialFamily`.

.. tip::

Since a :py:class:`~aiida_pseudo.groups.family.PseudoPotentialFamily` is a subclass of AiiDA's :py:class:`~aiida.orm.groups.Group`, they share the same API.
That means you can use `AiiDA's group API <https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/data.html#organizing-data>`_ as well as the ``verdi group`` CLI to work with families of ``aiida-pseudo``.

A family class can in principle support many pseudopotential formats, however, a family instance can only contain pseudopotentials of a single format.
For example, the :py:class:`~aiida_pseudo.groups.family.PseudoPotentialFamily` class supports all of the pseudopotential formats that are supported by this plugin.
However, any instance can only contain pseudopotentials of the same format (e.g. *all* UPF or *all* PSP8, not a mixture).
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