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Contains bulk structures, surface slabs, and convenience functions to use with the atomic simulation environment (ASE)

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ase_addons

ase_addons is a module that stores bulk structures, surfaces, and other convenience functions that I have created and used during my PhD. Usage of this requires the atomic simulation environment (ASE).

To use this module, simply add this folder into your $PYTHONPATH variable.

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Contains bulk structures, surface slabs, and convenience functions to use with the atomic simulation environment (ASE)

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  • Python 100.0%