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Updated the changelog
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chryswoods committed Dec 5, 2023
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Expand Up @@ -57,6 +57,15 @@ organisation on `GitHub <https://github.com/openbiosim/sire>`__.
a zero sigma value. They will either be sigma=1/epsilon=0 for non-perturbable
atoms, or sigma=1e-9/epsilon=1e-9 for perturbable atoms.

* Optimised the ``LambaLever`` class so that it caches the forcefield parameters
calculated at different lambda values. This means that we don't have to
re-calculate the parameters at each lambda update step. This is a
significant speed-up for alchemical free energy simulations.

* Now catch ``std::bad_alloc`` and raise it as a ``MemoryError``. This
means that we can catch out-of-memory errors and raise a more
informative exception.

* Please add an item to this changelog when you create your PR

`2023.4.1 <https://github.com/openbiosim/sire/compare/2023.4.0...2023.4.1>`__ - October 2023
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