pyscfad.scf.diis_lite.DIIS.update

DIIS.update(s, d, f, *args, **kwargs)

Extrapolate the vector.

Parameters:

• x – New vector.

• xerr – Error vector. Defaults to the difference between x and the vector returned by the previous update().

Returns:

The extrapolated vector.

Notes

This function has a side effect on self.state.