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update the releasehistory (#191)
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* update the releasehistory

* update release
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jthorton authored Mar 8, 2022
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19 changes: 9 additions & 10 deletions docs/releasehistory.rst
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Expand Up @@ -8,22 +8,21 @@ Releases follow the ``major.minor.micro`` scheme recommended by
* ``minor`` increments add features but do not break API compatibility
* ``micro`` increments represent bugfix releases or improvements in documentation

X.X.X
-----

This (unreleased) release ...
Version / Date DD-MM-YYYY

Behaviour Changes
"""""""""""""""""

* PR `#XXX <https://github.com/openforcefield/openff-qcsubmit/pull/XXX>`_: ...
0.3.1 / 08-03-2022
-----

Bugfixes
""""""""

* PR `#XXX <https://github.com/openforcefield/openff-qcsubmit/pull/XXX>`_: ...
* PR `#183 <https://github.com/openforcefield/openff-qcsubmit/pull/183>`_: Fixed a bug which stopped molecules from being added to datasets via attributes passed to ``Dataset.add_molecule``. @dotsdl
* PR `#184 <https://github.com/openforcefield/openff-qcsubmit/pull/184>`_: Correctly create results from collections with missing ``inchi_key`` fields @jthorton
* PR `#187 <https://github.com/openforcefield/openff-qcsubmit/pull/187>`_: Now able to make results from single point datasets with ``Nan`` records @jthorton
* PR `#192 <https://github.com/openforcefield/openff-qcsubmit/pull/192>`_: Basic datasets created from an ``OptimizationResultCollection`` now keep all conformers for molecules. @jthorton

New Features
""""""""""""

* PR `#XXX <https://github.com/openforcefield/openff-qcsubmit/pull/XXX>`_: ...
* PR `#186 <https://github.com/openforcefield/openff-qcsubmit/pull/186>`_: Improved performance for submissions of large datasets by reducing the number of save calls @dotsdl
* PR `#193 <https://github.com/openforcefield/openff-qcsubmit/pull/193>`_: Fragmentation components now support user supplied torsion target SMARTS @jthorton

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