MDAnalysis / mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.
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`MDAnalysis.analysis.hydrogenbonds.hbond_autocorrel`: Implement parallelization or mark as unparallelizable #4665

Open marinegor opened 3 months ago

marinegor commented 3 months ago

Given a newly implemented parallelization (https://docs.mdanalysis.org/dev/documentation_pages/analysis/parallelization.html), implement it for all classes in analysis.hydrogenbonds.hbond_autocorrel module. You may use analysis.RMSD in develop as a reference.

You need to add:

marinegor commented 3 months ago

Also, please make sure you're not confusing the module with MDAnalysis.analysis.hbonds.hbond_autocorrel, which is deprecated.