add zenowrapper mdakit to registry#339
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jaclark5 wants to merge 28 commits intoMDAnalysis:mainfrom
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Note that there's one test that sometimes hangs and "fails", I'm expecting because of GitHub hardware because it's a different os-python combination every time in the repo CI |
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The ZENOWrapper package provides a Python interface to the ZENO computation engine, integrating it seamlessly with MDAnalysis. ZENO computes hydrodynamic and electronic properties using numerical path integration techniques based on Brownian motion Monte Carlo methods (MCMs).