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0.21.1 - Post-SAMS Bugfixes

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@Lnaden Lnaden released this 30 Mar 18:56
cffaf09
  • Fix bug in FIRE minimizer logging (#932).
  • Fix Cray environment variables (#932).
  • Make tests more robust to undersampled analysis results (#932,#934,#936).
  • Fix molecule imaging incorrectly in trajectory extraction (#933).