***** * 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
***** * Switched from travis to GitHub Actions. * Added tests using flake8, pydocstyle and doctest.
0.9.2
***** * 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
***** * Added a new conceptual DFT (CDFT) workflow to Nano-CAT (https://github.com/nlesc-nano/nano-CAT/pull/57).
0.9.0
***** * Moved a number of functions to the `nanoutils <https://github.com/nlesc-nano/Nano-Utils>`_ package.
0.8.9
***** * Added the option to perform ligand geometry optimizations at arbitrary levels of theory.