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Added various convergence metrics to results
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@seamm seamm released this 15 Oct 21:42
· 2 commits to main since this release
2024.10.15
6e7a404
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Learn about vigilant mode.
  • 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.
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