quemb.molbe.eri_onthefly

Functions

block_step_size(nfrag, naux, nao[, datatype])	Internal function to calculate the block step size for the 3-center integrals calculation
integral_direct_DF(mf, Fobjs, file_eri[, ...])	Calculate AO density-fitted 3-center integrals on-the-fly and transform to Schmidt space for given fragment objects