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@whitead whitead released this 04 Feb 16:05
· 45 commits to master since this release
v2.1.0
120ebb2
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Learn about vigilant mode.

New Features

  • Added standard layers to code
  • Can compute molecular features for CG models
  • Can compute CG matrix given a molecule and bead mappings

Enhancements

  • Added error checks on mapping shapes
  • Added optional training flag to change behavior during training
  • Added ability to retrace compute if self changes
  • Can output type or index when computing nlist

Bug Fixes

  • Removed unused cuda events which could cause segfault on destruction
  • Fixed simulation box in iter_from_trajectory
  • Fixed MDAnalysis universe based on atom group selection option in iter_from_trajectory
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