ReliaSolve / cctbx_project

Computational Crystallography Toolbox
https://cctbx.github.io
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Consider caching only dots outside of excluded atoms on a per-coarse-location basis for Movers #272

Closed russell-taylor closed 1 year ago

russell-taylor commented 1 year ago

Consider checking for dots in excluded atoms on a per-coarse basis and storing a different dot subset per each ahead of optimization. This should reduce by >2X the number of dots that are checked for each atom location, which is a primary bottleneck.