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@hechtprojects hechtprojects released this 09 Mar 15:48
v1.1.0
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AMEP 1.1.0 Release Notes

AMEP 1.1.0 supports Python 3.10.0 or higher and requires the following Python libraries:

  • h5py (3.7.0 or higher)
  • matplotlib (3.6.2 or higher)
  • numba (0.56.4 or higher)
  • numpy (1.21.6 or higher)
  • scipy (1.10.0 or higher)
  • scikit-image (0.20.0 or higher)
  • tqdm (4.65.0 or higher)
  • gsd (3.2.0 or higher)
  • chemfiles (0.10.4 or higher)

New features

  • added GROMACS reader (KD)
  • added HOOMD-blue GSD reader (KD)
  • added general distribution function evaluate.Dist (KD)
  • added functionality for frame.data to accept lists (KD)
  • simplified plot style selection in plot.style (KD)
  • unified naming in plot (transition of plot.box to plot.box_boundary) (ME)
  • unified functionality and documentation in evaluate (ME)
  • major website restructure (KD, KS, LH)
  • added information on website for supported data types and more (KD)
  • AMEP publication now out (see "How to Cite" at amepproject.de)
  • added temperature calculations for multiple definitions in evaluate (LH)
  • added plot.draw_arrow (SM, LH)

Bug fixes

  • documentation improvements (KD, KS, LH, ME)
  • bug in utils.average_func fixed (KD, LH)
  • bug in frame.data fixed (KD)
  • bugs relating to evaluate.ClusterGrowth fixed (KD)
  • bug in utils.detect2peaks related to borders fixed (KD)
  • bug in cluster.identify not returning single-particle-"clusters" fixed (KD)
  • bug in evaluate.PCFangle fixed (KD, LH)
  • bugs relating to cluster.gyration_tensor fixed (KD, LH)
  • bug related to mode 'largest' in evaluate.ClusterGrowth fixed (LH)

Contributors

  • Lukas Hecht (LH)
  • Kay-Robert Dormann (KD)
  • Kai Luca Spanheimer (KS)
  • Mahdieh Ebrahimi (ME)
  • Suvendu Mandal (SM)
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