quemb.kbe.mf_interfaces.pyscf_interface

Functions

create_mf(cell, mo_coeff, mo_energy, mo_occ, ...)	Create a pyscf mean-field object from data without running a calculation
get_mf_pyscf(cell, kpts, additional_args)	Run an KRHF calculation in pyscf

Classes

PySCFArgs(*[, density_fit])