MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
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Slow retrieval of trajectories inside and optimization #842

Open chrisiacovella opened 1 month ago

chrisiacovella commented 1 month ago

I'm working with an optimization dataset, where my intention is to utilize all the intermediate information (not just the final configuration/energy). Downloading the trajectory for a given record appears to be very slow. Pretty much the speed of using "get" rather than "iterate" (which makes sense, because it looks like just using get when these are requested). The caching works well for later retrieval...is there currently a way to have these automatically fetched when iterating over records?