Hi Julia! I am writing a small molecular dynamics engine in Julia to teach myself the language and I noticed that 67% of the time spent running the following Ewald summation function (to calculate coulomb energy of an infinite crystal lattice in reciprocal space) is spent in garbage collection. Bes…

Speeding up Ewald summation

jgreener64 November 3, 2025, 5:41pm 16

The latest release of Molly.jl has support for PME, see the post on this thread: Electrostatics in Julia - #33 by jgreener64.

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