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We have been going back through some results from a dependency of yours used to compute viscosities (transport-analysis) and are now pretty convinced the implementation of the Helfand method is likely wrong. We are working on a fix but unsure when it will be available. See here for meta-issue: MDAnalysis/transport-analysis#55
Thanks for the ping @hmacdope. I'm the sole user of the viscosity implementation here AFAIK. I'll update the emmet codebase pending our fix / failure to fix the viscosity implementation.
We have been going back through some results from a dependency of yours used to compute viscosities (
transport-analysis
) and are now pretty convinced the implementation of theHelfand
method is likely wrong. We are working on a fix but unsure when it will be available. See here for meta-issue: MDAnalysis/transport-analysis#55CC @orionarcher
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