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2024.10.20 -- Improved citation handling

2024.10.15 -- Added various convergence metrics to results
  • Added maximum force, gradient, etc. to results.
  • Improved control over when to calculate the Hessian matrix.
  • Fixed an issue converting the units of the gradients.

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

2024.8.2 -- Initial version