jorisparet / partycls

Unsupervised learning of structure in systems of interacting particles.
https://www.jorisparet.com/partycls/
GNU General Public License v3.0
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[Tests] RUMD is a requirement #6

Closed govarguz closed 2 years ago

govarguz commented 2 years ago

MakeTests throws some minor error from a test using RUMD

jorisparet commented 2 years ago

Could you indicate the test that you are referring to, please? :slightly_smiling_face:

I'm thinking of two possible places:

Either way, RUMD itself is not required. The code can natively read RUMD trajectories, or alternatively rely on atooms to do so.

govarguz commented 2 years ago

@jorisparet clarified!