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Merge pull request #120 from openforcefield/0_0_5_release_notes
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Add release notes summary for 0.0.5
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SimonBoothroyd authored Oct 9, 2019
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Expand Up @@ -11,6 +11,20 @@ Releases will eventually follow the ``major.minor.micro`` scheme recommended by
All early releases however will simply recieve a ``micro`` version bump regardless of
how major the changes may be.

0.0.5 - Fix For Merging of Estimation Requests
----------------------------------------------

This release implements a fix for a major bug which caused incorrect results to be returned when submitting multiple estimation requests at the same time - namely, the returned results became jumbled between the different requests. As an example, if a request was made to estimate a data set using the `smirnoff99frosst` force field, and then straight after with the `gaff 1.81` force field, the results of the `smirnoff99frosst` request may contain some properties estimated with `gaff 1.81` and vice versa.

This issue does not affect cases where only a single request was made and completed at a time (i.e the results of the previous request completed before the next estimation request was made).

Bugfixes
""""""""

* PR `#119 <https://github.com/openforcefield/propertyestimator/pull/119>`_: Fixes gather task merging.
* PR `#121 <https://github.com/openforcefield/propertyestimator/pull/121>`_: Update to distributed 2.5.1.


0.0.4 - Initial Support for Non-SMIRNOFF FFs
--------------------------------------------

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