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0.9.0

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@srmnitc srmnitc released this 08 Mar 13:51

Changes

  • Update documentation and add more examples
  • Minor renaming of results keys to enable easier parsing

Bug fixes

  • Bug fixes for SGE in scheduler

Improvements

  • Add traj_interval keyword which enables recording of MD trajectory (#20 )
  • Add modes tscale and pscale for direct temperature and pressure scaling (#24 )