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Added single point energy and Results.json
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@seamm seamm released this 03 May 20:20
· 2 commits to main since this release
2024.5.3
48aa667
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • Added control to allow a single point energy as well as optimization. This supports using QuickMin with e.g energy scans.
  • Standardized the name of the energy to simply "energy" to better support other plug-ins and codes understanding the results.
Assets 2