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Published February 14, 2020 | Version v0.2.0
Software Open

pyxem/diffsims: diffisms 0.2.0

Creators

  • 1. University of Cambridge
  • 2. iwoca
  • 3. Univesity of Cambridge, Department of Materials Science and Metallurgy
  • 4. TU Delft
  • 5. University of Leeds
  • 6. Department of Materials Science and Metallurgy, University of Cambridge
  • 7. University of Manchester/SuperSTEM Laboratory
  • 8. Luminovo.ai
  • 9. Norwegian University of Science and Technology

Description

diffsims is an open-source Python library for diffraction simulations. This is a minor release of the code following directly on from v0.1.5 - a full list of the associated develops can be found at: https://github.com/pyxem/diffsims/milestone/1?closed=1

Breaking Changes
  • StructureLibraryGenerator has been removed, use the methods of StructureLibrary instead (#60)
  • simulate_rotated_structure has been removed, use the rotation argument of .calculate_ed_data()(#61)
New Features
  • A FFT diffraction simulator has been added c/o Rob Tovey (#33)
  • Rotation list generation for some common use cases has been provided (#47)
  • Streographic rotation_list generation has been refined (#55)
  • ZAP maps can now be created (#62)
Minor Changes
  • Small speed up for internal function get_points_in_sphere (#37)
  • A progress bar has been added to the method .get_vector_library (#45)
  • Assorted internal improvements to CI and testing (#40, #41, #48)

Files

pyxem/diffsims-v0.2.0.zip

Files (154.4 kB)

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Additional details

Related works

Is supplement to
https://github.com/pyxem/diffsims/tree/v0.2.0 (URL)