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v0.3

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@whitead whitead released this 19 Jul 00:10
· 230 commits to master since this release
v0.3
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Learn about vigilant mode.

Enhancements

  • Batching by molecule now has a atom id to mol id/atom id look-up (rev_mol_indices)
  • Version string is visible in package
  • Example models now take an argument specifying where to save them
  • When batching, atom sorting is automatically disabled
  • compute_pairwise_potential now outputs force as well as potential

Bug Fixes

  • Computing nlist in TF now correctly sorts when requested
  • Fixed Mac OS specific issues for compiling against existing HOOMD-blue install
  • Running mean computation variables are now marked as untrainable
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