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0.4.1: Merge pull request #80 from eljost/dev

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@eljost eljost released this 11 May 12:14
4339b9b
  • Reworked Free-End and Adaptive NEB
  • Enabled Free-End-Adaptive-NEB
  • New Dimer calculator can now be used after COS calculation
  • Added test case for AFIR calculator
  • Deprecated old code