maria goranovic wrote:
An update:
Using a 4th order PME spline resulted in ~ 15 % increase in efficiency.
Thank you, Carsten.
As you can see in some of the original PME papers, tweaking the
parameters can give about an order of magnitude variation in the
approximation error for given computational cost, or similar variation
in cost for a given error. pme_order = 6 works best on my hardware for
error that I found acceptable.
Mark
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