quemb.kbe.pfrag.Frags.cons_fock

Frags.cons_fock(hf_veff, S, dm, eri_=None)

Construct the Fock matrix for the fragment.

Parameters:

• hf_veff (ndarray) – Hartree-Fock effective potential.

• S (ndarray) – Overlap matrix.

• dm (ndarray) – Density matrix.

• eri (ndarray, optional) – Electron repulsion integrals, by default None.