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19 changes: 19 additions & 0 deletions docs/CHANGELOG.rst
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,25 @@ pontibus Change Log

.. current developments

vv0.5.0
====================

**Changed:**

* In line with Interchange v0.5+, the box is no longer being scaled by 1.1
when defining the ``number_of_solvent_molecules``. In those cases, the
resulting box density will be much higher.
If you were defining ``number_of_solvent_molecules`` and then you will
need to scale the density by `(1 / (1.1^3)` instead of using the
default `target_density` (currently default of 0.95 * unit.grams / unit.mL).
In practice this means setting `target_density` to roughly
0.715 unit.grams / unit.mL when setting `number_of_solvent_molecules`.
* The ASFE and HybridTop Protocols have been updated to work
with openfe v1.9. Notably this means that the Protocols have
now been split into three ProtocolUnits (PR #190).
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v0.4.0
====================

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30 changes: 0 additions & 30 deletions news/issue-162.rst

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25 changes: 0 additions & 25 deletions news/ofev1.9.rst

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