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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

Clarify one arg in compute_cg_graph docstring #272

Closed RainierBarrett closed 3 years ago

RainierBarrett commented 3 years ago

Tiny change here but this tripped me up a bit. It wasn't clear from the docstring in utils that the cg_num argument should be per-molecule.