MDAnalysis / pmda

Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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InterRDF should use new capped distance function #62

Closed kain88-de closed 5 years ago

kain88-de commented 6 years ago

MDAnalysis has now a new distance function that is optimized a lot compared to the brute force. We should switch otherwise plain MDAnalysis might be faster.