Module fock_build_gpu 

GPU-accelerated Fock matrix construction.

Computes the two-electron part G(P) of the Fock matrix on the GPU: G(μν) = Σ_{λσ} P_{λσ} [(μν|λσ) - 0.5·(μλ|νσ)] F = H_core + G(P)

Each GPU thread handles one (μ,ν) matrix element, reading the full density matrix and ERI tensor to compute the Coulomb-exchange contribution.

Constants

FOCK_BUILD_SHADER

WGSL compute shader for Fock matrix construction.

Functions

build_fock_gpu

Build the Fock matrix on the GPU.