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HISTORY.rst

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2024.10.20 -- Added to the functionality and consolidated the code
  • Added method to calculate the Hessian via finite differences using ASE
  • Added references and citations where appropriate
  • Made the calculator less specific to optimization

2024.8.2.1 -- Calculator required to have 'implemented_properties' and 'nolabel' defined

2024.8.2 -- Initial version