pyscfad.pbc.scf.hf

Classes

RHF(cell[, kpt, exxdiv])
SCF(cell[, kpt, exxdiv])	Subclass of pyscf.pbc.scf.hf.SCF with traceable attributes.

Functions

get_ovlp(cell[, kpt])	Get the overlap AO matrix.
normalize_dm_(mf, dm[, s1e])	Scale density matrix to make it produce the correct number of electrons.