quemb.molbe.eri_onthefly.block_step_size¶
- quemb.molbe.eri_onthefly.block_step_size(nfrag, naux, nao, datatype=<class 'float'>)¶
Internal function to calculate the block step size for the 3-center integrals calculation
Internal function to calculate the block step size for the 3-center integrals calculation