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MDAnalysis / pmda

Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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Uniform analysis results with MDA #156

Open RMeli opened 2 years ago

RMeli commented 2 years ago

Expected behaviour

I expect to access the results of PMDA in the same way I would do with MDA.

Actual behaviour

After https://github.com/MDAnalysis/mdanalysis/issues/3115 the results in MDA are stored in a self.results, therefore this has diverged from PMDA.

orbeckst commented 2 years ago

PMDA needs a big lift to bring it in-line with MDA 2.0.