Added check for skew in boxes and test

ur-whitelab / hoomd-tf

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

https://hoomd-tf.readthedocs.io

MIT License

30 stars 8 forks source link

Added check for skew in boxes and test #214

Closed whitead closed 4 years ago

whitead commented 4 years ago

Test hangs due to #206, but correctly raises exception. For checking PR, you can run python ../htf/test-py/test_tensorflow.py test_compute._test_skew_fails and observe that the TF thread raises an exception