v1.1.0

[hechtprojects]

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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This discussion was created from the release v1.1.0.