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Consider adding FFT support to Einstein-Helfand viscosity #27

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xhgchen opened this issue Aug 13, 2023 · 1 comment
Open

Consider adding FFT support to Einstein-Helfand viscosity #27

xhgchen opened this issue Aug 13, 2023 · 1 comment

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@xhgchen
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xhgchen commented Aug 13, 2023

As mentioned in #25, the Einstein-Helfand viscosity calculation is similar in structure to the MSD calculation, so it would make sense to be able to add FFT support to Einstein-Helfand viscosity as well. Check the tidynamics source code to see how feasible this is.
@xhgchen xhgchen mentioned this issue Aug 13, 2023
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xhgchen commented Aug 22, 2023

So from my testing, the Einstein-Helfand viscosity class is indeed slow (took a few minutes to run). I think an FFT option would significantly improve the speed.

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