Atsim.potentials

Latest version: v0.4.1

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0.4.1

Bug-Fixes

* Fixes to ``setup.py`` to allow atsim.potentials to install under python 3.10
* Test for factorial function in maths expressions was failing under python 3.10. This is now fixed.

0.4.0

New Features

* Added support for angular dependent potential (ADP) models (LAMMPS `pair_style adp`).
* Support for `[Variables]` section in `potable` files which allows use of string snippets and string interpolation.

0.3.0

New Features

* Introduced the new potable tool to allow tabulation without needing to write a python script.
* Revamped python api.

Bug-Fixs

* The order that the density functions were specified to the writeSetFLFinnisSinclair() function was the reverse of what would be expected. This has been fixed.

0.2.1

Bug-Fixes

* Fix to the plot functions. Previously all x-axis values were being set to the `lowx` value given to the function.

0.2.0

New Features

* Support for Python 3

0.1.1

* Initial Release

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