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prepare v0.2.0 release
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docs/src/references/changelog.rst

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@@ -21,37 +21,36 @@ changelog <https://keepachangelog.com/en/1.1.0/>`_ format. This project follows
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.. Removed
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.. #######
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`Unreleased <https://github.com/lab-cosmo/torch-pme/>`_
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-------------------------------------------------------
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`Version 0.2.0 <https://github.com/lab-cosmo/torch-pme/releases/tag/v0.2.0>`_ - 2025-01-23
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------------------------------------------------------------------------------------------
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Added
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#####
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* Added a PyTorch implementation of the exponential integral function
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* Added ``dtype`` and ``device`` for ``Calculator`` classses
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* Added ``dtype`` and ``device`` for ``Calculator`` classes
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* Added an example on the tuning scheme and usage, and how to optimize the ``cutoff``
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Changed
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#######
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* Removed ``utils`` module. ``utils.tuning`` and ``utils.prefactor`` are now in the root
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of the package. ``utils.splines`` is now in the ``lib`` module.
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* The tuning now uses a grid-search based scheme, instead of a gradient based scheme.
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* The tuning functions no longer takes the ``cutoff`` parameter, and thus does not
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of the package; ``utils.splines`` is now in the ``lib`` module
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* Tuning now uses a grid-search based scheme, instead of a gradient based scheme
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* Tuning functions no longer takes the ``cutoff`` parameter, and thus does not
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support a built-in NL calculation.
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* Refactor the ``InversePowerLawPotential`` class to restrict the exponent to integer
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values
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Fixed
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#####
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* Refactor the ``InversePowerLawPotential`` class to restrict the exponent to integer
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values
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* Ensured consistency of ``dtype`` and ``device`` in the ``Potential`` and
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``Calculator`` classses
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* Fixed consistency of ``dtype`` and ``device`` in the ``SplinePotential`` class
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* Fix inconsistent ``cutoff`` in neighbor list example
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* All calculators now check if the cell is zero if the potential is range-separated
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`Version 0.1.0 <https://github.com/lab-cosmo/torch-pme/releases/tag/v0.1.0>`_ - 2024-12-05
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docs/src/references/index.rst

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:url-suffix: references/index.html
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.. version:: 0.1.0
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.. version:: 0.2.0
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The main references for public functions and classes inside ``torch-pme``. For examples
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refer to the :ref:`userdoc-how-to` section.

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