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Version 2.1.1

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@mlund mlund released this 10 Jan 10:31
· 1171 commits to master since this release
  • Fixes and internal improvements:
    • Where available, CMake dependency downloading changed from ExternalProject to FetchContent.
    • cluster works with inactive molecules (still not dynamically updated, though)
    • improved memory efficiency for FunctorPotential
    • developer travis/osx build: mpich back to openmpi 1.6 due to abort trap 6 error (compiler mismatch)
    • cmake build compatible with conda-forge (circle/ci, travis)
    • fix compiler warning on GCC7
    • MPI destruction / MPI_Finalize() order fix for more stable MPI runs