xnn.common.models.electrostatics.RECIPROCAL_BUDGET#

xnn.common.models.electrostatics.RECIPROCAL_BUDGET = 100000000#

Largest (N, N_k) phase table of the reciprocal sum formed at once (float64: 1.6 GB); longer lattice sums run in blocks of vectors. The table scales with the atoms times the lattice vectors, so large cells are better served by PME.