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v0.2

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@whitead whitead released this 04 Jun 16:21
· 265 commits to master since this release
4be1d67

New Features

  • Added attach batch_size argument enabling batching of TF calls
  • Can now batch by molecule, enabling selection/exclusion of molecules
  • Added XLA option to improve TF speed
  • Now possible to compile the plugin after hoomd-blue install
  • Changed name of package to htf instead of tensorflow_plugin

Enhancements

  • Changed output logging to only output TF items to the tf_manager.log and
  • Log-level is now consistent with hoomd
  • Added C++ unit tests skeleton in the same format as HOOMD-blue. Compile with -DBUILD_TESTING=ON to use.
  • Switched to hoomd-blue cuda error codes
  • Added MPI tests with domain decomposition
  • Improved style consistency with hoomd-blue
  • Cmake now checks for TF and hoomd versions while building hoomd-tf.