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Added energy and forces to properties
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   * Added ability to get the energy and forces from single point calculations to supprt
     e.g. energy scans.
   * Fixed issue with assigning atoms types if they have not been assigned but are None
   * Updated for change in the order of units in the new version of pint
   * Improved analsys based on the output file.
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paulsaxe committed Jun 28, 2024
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History
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2024.6.28 -- Added energy and forces to properties
* Added ability to get the energy and forces from single point calculations to supprt
e.g. energy scans.
* Fixed issue with assigning atoms types if they have not been assigned but are None
* Updated for change in the order of units in the new version of pint
* Improved analsys based on the output file.

2024.3.22 -- Corrected issue with e.g. heat flux calculations
* Corrected an issue running LAMMPS via Python, intorduced in the new scheme for
executing. It ignored parallelism.
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