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Bugfix: incorrect name for gradients
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@seamm seamm released this 23 May 18:22
· 10 commits to main since this release
2024.5.23.2
333376e
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  • There was a typo in the name for the gradients, such that they could not be output to Results.json.
  • The units for the energy and gradients in Results.json were incorrect.
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