Nano-cat

Latest version: v0.7.2

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0.9.4

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* Fixed an issue where certain `AMSJobs` would have duplicate keys.
* Fixed an issue where certain ligands weren't exported when constructing
multi-ligand quantum dots (see https://github.com/nlesc-nano/CAT/issues/115).
* Re-enabled tests for Python 3.6 (see https://github.com/nlesc-nano/CAT/issues/125).

0.9.3

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* Switched from travis to GitHub Actions.
* Added tests using flake8, pydocstyle and doctest.

0.9.2

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* Updated the Database documentation (see https://github.com/nlesc-nano/data-CAT/pull/23).
* Upped the minimum Sphinx version to 2.1.
* Removed ``sphinx-autodoc-typehints``.
* Removed ``requirements.txt`` in favor of ``.readthedocs.yml``.

0.9.1

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* Added a new conceptual DFT (CDFT) workflow to Nano-CAT
(https://github.com/nlesc-nano/nano-CAT/pull/57).

0.9.0

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* Moved a number of functions to the `nanoutils <https://github.com/nlesc-nano/Nano-Utils>`_ package.

0.8.9

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* Added the option to perform ligand geometry optimizations at
arbitrary levels of theory.

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