Module two_electron_gpu 

GPU-accelerated two-electron repulsion integrals (ERIs).

Offloads the O(N⁴) ERI computation to the GPU using a WGSL compute shader. Each workgroup thread computes one unique quartet (i,j,k,l) of contracted ERIs, exploiting 8-fold permutation symmetry to reduce work.

For STO-3G basis sets (max 3 primitives/function), this provides significant speedup over CPU for molecules with > ~10 basis functions.

Constants

TWO_ELECTRON_SHADER

WGSL compute shader for two-electron repulsion integrals.

Functions

compute_eris_gpu

Compute two-electron integrals on the GPU.