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Store a subset of the particles in the simulation

Open ijpulidos opened this issue 2 years ago • 0 comments

It should be useful to have a way to store only a subset of the atoms/particles in a simulation. Especially for storage volume usage this might be needed for some use cases where you have to serialize with a high frequency but you don't care about certain atoms/particles in the system.

As far as I can tell, the current state is that the MultiStateReporter is serializing everything in the checkpoint and non-checkpoint files.

ijpulidos avatar Feb 07 '23 23:02 ijpulidos