xnn.common.models.dispersion_fast.coulomb#
The molecular EEQ interaction erf(gamma_ij r_ij) / r_ij applied without storing it.
The reference applies the dense (N, N) kernel in row blocks that are
materialized (positions, distances, erf) at every matrix-vector product. The
Triton kernel here evaluates each pair in registers and accumulates the product
directly: memory O(N), one pass over the pairs per product.
Functions
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