quemb.kbe.mf_interfaces.main

Functions

dump_scf(mf, chkfile)	Store a PySCF KRHF object to an HDF5 file.
get_mf(cell, kpts, *[, work_dir, backend, ...])	Compute the mean-field (SCF) object for a given molecule using the selected backend.
load_scf(chkfile)	Recreate a PySCF Cell and KRHF object from an HDF5 file.