pyscfad.df.df.DF#

class pyscfad.df.df.DF(mol, auxbasis=None, incore=True, **kwargs)[source]#

Bases: DF

Methods

build()

get_jk(dm[, hermi, with_j, with_k, ...])

get_naoaux()

loop([blksize, to_numpy])

reset([mol])

Reset mol and clean up relevant attributes for scanner mode

to_pyscf([nocopy_names, out])

Convert the pyscfad object to its pyscf counterpart.