pytc.solver.xtc_ccsd._compute_vvvv_block_df

pytc.solver.xtc_ccsd._compute_vvvv_block_df(eris, xtc_obj, jastrow_params, L_vv_full, nocc, nvir, nmo, cc)

Compute and write vvvv block to HDF5, block-wise (DF path).

vvvv shape: (a, b, c, d) = (nvir, nvir, nvir, nvir). We iterate over the first index ‘a’ in blocks to limit memory usage.