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@tommy-waltmann tommy-waltmann released this 25 Jan 23:23
v2.8.0
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Learn about vigilant mode.

This release includes a new method for computing the static structure factor, python 3.10 support, and other small changes listed below.

Added

  • freud.diffraction.StaticStructureFactorDirect class (unstable) can be used to compute the static structure factor S(k) by sampling reciprocal space vectors.
  • Python 3.10 is supported.
  • Documentation examples are tested with pytest.
  • Use clang-format as pre-commit hook.
  • Add related tools section to the documentation.

Fixed

  • freud.diffraction.DiffractionPattern normalization changed such that S(k=0) = N.
  • Added error checking for r_min, r_max arguments in freud.density.RDF, freud.locality.NeighborList, freud.locality.NeighborQuery, and freud.density.LocalDensity classes.
  • CMake build system only uses references to TBB target.

Changed

  • Re-organized tests for the static structure factor classes.
  • Move util::Histogram<T>::Axes to util::Axes.
  • Use new flake8 plugin flake8-force for linting Cython code.
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