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Fig. 2.

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Accuracy of S1 × ℝ2 periodic summation methods. For all tests, the correction lookup table D(ρ, z) was computed on a 144 × 128 grid, varying the truncation parameter Ncut or the Ewald parameters α, nmax, and mmax. Using these tables, we reconstructed the full periodic force field FS1 × ℝ2(ρ, z) = F3(ρ, z)+D(ρ, z) and compared it against a reference field. This reference field was generated via direct summation using Ncut = 107 periodic images, requiring approximately 104 s of computation time. Left: Mean force errors of direct periodic real-space summation as a function of Ncut. Although summation occurs only along a single direction (the z-axis), convergence remains exceptionally slow. Center: S1 × ℝ2 Ewald summation force accuracy as a function of the Ewald splitting parameter α with fixed nmax = 5 and mmax = 12 values. Using only 5 periodic images in real space and 12 modes in reciprocal space is sufficient to achieve single-precision (32-bit) floating-point accuracy when the optimal splitting parameter is applied. Right: Same as the center panel, but with fixed nmax = 7 and mmax = 14. Increasing both nmax and mmax by two improves the force accuracy by nearly three orders of magnitude (a factor of ∼600).

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