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Added to the functionality and consolidated the code

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@seamm seamm released this 20 Oct 15:48
2024.10.20
89115c6
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • Added method to calculate the Hessian via finite differences using ASE
  • Added references and citations where appropriate
  • Made the calculator less specific to optimization
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