Recover O(N^2) scaling in 4G LAMMPS Interface Force Calculation - #209

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lxknll wants to merge 3 commits into

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runner-suite:4g-speedup

Commits on May 6, 2026

FIX: Store the reciprocal electrostatic energy contribution and add it to the total tally.
Alexander Knoll
committed
6b41f10
FIX: add missing argument to FFT routine calls.
Alexander Knoll
committed
07cd78b
PERF: recover O(N^2) scaling in 4G force calculation and electrostatic derivative evaluation routines.
Alexander Knoll
committed
ec1953d