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changelog.md

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v0.3.0 - 2020/02/26

  • Bugfix: Update to freud 2.0, require freud >= 2.2 and fix ordering of neighbor lists (mspells)
  • Bugfix: Fix NaN's in bond neighborhood_angle_matrix (yzjin,bdice)
  • Feature: pythia.learned learnable representations and keras layers API (mspells)

v0.2.5

  • Bugfix: fix rotational invariance of bispectrum descriptors (csadorf,mspells)

v0.2.4

  • Bugfix: fix noise value in noisy spherical harmonics (mspells)
  • Bugfix: fix documentation for voronoi.angle_histogram (mspells)

v0.2.3

  • Bugfix: update to latest freud API changes (mspells)

v0.2.2

  • Bugfix: fix voronoi angle histogram internal calls (mspells)

v0.2.1

  • Bugfix: remove freud as dependency in setup.py (mspells)

v0.2

  • Noisy averaging of neighbor-averaged spherical harmonics (mspells)
  • Bugfix: fixed width of neighbor-averaged spherical harmonics (mspells)

v0.1

  • Basic bonds, spherical_harmonic, voronoi functionality (mspells)