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prepare v0.2.0 release
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PicoCentauri authored and E-Rum committed Jan 23, 2025
1 parent c716349 commit 1316507
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17 changes: 8 additions & 9 deletions docs/src/references/changelog.rst
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Expand Up @@ -21,37 +21,36 @@ changelog <https://keepachangelog.com/en/1.1.0/>`_ format. This project follows
.. Removed
.. #######
`Unreleased <https://github.com/lab-cosmo/torch-pme/>`_
-------------------------------------------------------
`Version 0.2.0 <https://github.com/lab-cosmo/torch-pme/releases/tag/v0.2.0>`_ - 2025-01-23
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Added
#####

* Added a PyTorch implementation of the exponential integral function
* Added ``dtype`` and ``device`` for ``Calculator`` classses
* Added ``dtype`` and ``device`` for ``Calculator`` classes
* Added an example on the tuning scheme and usage, and how to optimize the ``cutoff``

Changed
#######

* Removed ``utils`` module. ``utils.tuning`` and ``utils.prefactor`` are now in the root
of the package. ``utils.splines`` is now in the ``lib`` module.
* The tuning now uses a grid-search based scheme, instead of a gradient based scheme.
* The tuning functions no longer takes the ``cutoff`` parameter, and thus does not
of the package; ``utils.splines`` is now in the ``lib`` module
* Tuning now uses a grid-search based scheme, instead of a gradient based scheme
* Tuning functions no longer takes the ``cutoff`` parameter, and thus does not
support a built-in NL calculation.
* Refactor the ``InversePowerLawPotential`` class to restrict the exponent to integer
values

Fixed
#####

* Refactor the ``InversePowerLawPotential`` class to restrict the exponent to integer
values
* Ensured consistency of ``dtype`` and ``device`` in the ``Potential`` and
``Calculator`` classses
* Fixed consistency of ``dtype`` and ``device`` in the ``SplinePotential`` class
* Fix inconsistent ``cutoff`` in neighbor list example
* All calculators now check if the cell is zero if the potential is range-separated


`Version 0.1.0 <https://github.com/lab-cosmo/torch-pme/releases/tag/v0.1.0>`_ - 2024-12-05
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1 change: 1 addition & 0 deletions docs/src/references/index.rst
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Expand Up @@ -13,6 +13,7 @@ API reference
:url-suffix: references/index.html

.. version:: 0.1.0
.. version:: 0.2.0

The main references for public functions and classes inside ``torch-pme``. For examples
refer to the :ref:`userdoc-how-to` section.
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