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v1.2.0

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@patrickfuchs patrickfuchs released this 09 Apr 15:35
· 339 commits to master since this release
  • Build docs
  • Rename '-x/--xtc' flag to -t/--traj' one to be more generic
  • Replace mandatory topology argument to '-c/--coord' flag
  • Improve performance of control functions.
  • Move misc functions to a module utils.py
  • Improve Exception handling & add proper exits
  • Improve PEP8 & PEP257 compliance
  • Improve test coverage
  • Fix bug when a trajectory was written when only a pdb was provided.
  • Add sanity checks for the various input files
  • Use json files instead of python module to read lipid topologies.
  • Optimize package for better performance