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Release 24.1

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@aradi aradi released this 12 Feb 17:10
· 205 commits to main since this release
24.1
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aradi Bálint Aradi
GPG key ID: 0B2F7E065EE5558E
Learn about vigilant mode.
8f95b9b

Added

  • CI optimizer to locate conical intersections

Fixed

  • Memory leak for MPI enabled code with many geometric steps.

  • API call to setExternalCharges was not marking calculation to be re-evaluated.

  • Calls to setExternalCharges were failing if number of external charges changes.

Assets 5