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paulsaxe committed Nov 10, 2023
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History
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2023.11.10 -- Standard structure handling and cleaned up output
* Switched to standard structure handling and naming, giving consistent options
across SEAMM.
* Corrected issues with the model name in the properties.
* Generally cleaned up the output, mainly indentation.

2023.11.8 -- Bugfix: Fermi level being an array caused problems
* The Fermi level in DFTB+ is a vector with 1 or 2 elements, depending whether the
calculation is spin-polarized. DFTB+ can handle different Fermi levels, but it is
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