Nano-cat

Latest version: v0.7.2

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0.7.12

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* Fixed a bug ``qd_opt_ff()`` where the wrong dictionary key was validated.
* Multiple updates to the CP2K MD template.
* Employ a more duck-typing based approach during the ``schema`` validation.
* Fixed a bug in the ``jobs`` module where incorrect ``Results()`` instances
were returned.
* Multiple documentation updates.

0.7.11

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* Updated the ``CAT.attachment.qd_opt_ff`` module in preparation for
https://github.com/nlesc-nano/nano-CAT/pull/26.

0.7.10

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* The function for applying distance weights during the
subset-generation process is now configurable.
* The default distance weighting function has been changed to
``weight = "np.exp(-x)"``.
The old p-norm with ``p=-2`` is still accessible via: ``weight = "x**-2"``

0.7.9

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* Added the option to interpolate between ``"uniform"`` / ``"cluster"`` and
``"random"``.
* The order of the ``p``-norm is now configurable.
* The variable representing the anchor-atom subset size has been changed
from ``p`` to ``f``.
``p`` is now reserved for the order of the ``p-norm``.
* https://github.com/nlesc-nano/CAT/pull/70: Fixed an issue with the
``_parse_cluster_size()`` index offset.

0.7.8

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* It is now possible to create ``"uniform"`` distributions of clusters,
the size of each cluster being user-specified.

0.7.7

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* The ``"uniform"`` and ``"cluster"`` distributions are now weighted by
the distance rather than using a, less robust, distance truncation.

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