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Update CHANGELONG for the 2024.1.0 release.
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doc/source/changelog.rst

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@@ -9,6 +9,20 @@ company supporting open-source development of fostering academic/industrial coll
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within the biomolecular simulation community. Our software is hosted via the `OpenBioSim`
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`GitHub <https://github.com/OpenBioSim/biosimspace>`__ organisation.
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`2024.1.0 <https://github.com/openbiosim/biosimspace/compare/2023.5.1...2024.1.0>`_ - Ap4 15 2024
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* Switch to using Langevin integrator for GROMACS free energy simulations (`#264 <https://github.com/OpenBioSim/biosimspace/pull/264>`__).
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* Add support for clearing and disabling the IO file cache (`#266 <https://github.com/OpenBioSim/biosimspace/pull/266>`__).
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* Add support for using ``openff-nagl`` to generate partial charges (`#267 <https://github.com/OpenBioSim/biosimspace/pull/267>`__).
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* Fixed non-reproducible search for backbone restraint atom indices (`#270 <https://github.com/OpenBioSim/biosimspace/pull/270>`__).
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* Add support for AMBER as an alchemical free-energy simulation engine (`#272 <https://github.com/OpenBioSim/biosimspace/pull/272>`__).
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* Switch to using ``os.path.join`` to generate directory file names (`#276 <https://github.com/OpenBioSim/biosimspace/pull/276>`__).
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* Make sure the ``fileformat`` property is preserved when creating single molecule systems (`#276 <https://github.com/OpenBioSim/biosimspace/pull/276>`__).
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* Add a ``getRestraintType`` method to the base protocol that returns ``None`` (`#276 <https://github.com/OpenBioSim/biosimspace/pull/276>`__).
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* Add missing ``themostat_time_constant`` kwarg to the :class:`Metadynamics <BioSimSpace.Protocol.Metdynamics>` protocol (`#276 <https://github.com/OpenBioSim/biosimspace/pull/276>`__).
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`2023.5.1 <https://github.com/openbiosim/biosimspace/compare/2023.5.0...2023.5.1>`_ - Mar 20 2024
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