pyscfad.cc.rccsd.RCCSDLite.init_diis

RCCSDLite.init_diis(amps)

Amplitude mixer.

Notes

Both mixers extrapolate an arbitrary pytree, so the amplitudes are mixed as the (t1, t2) tuple rather than packed into a vector. Unlike pyscfad.lib.diis.DIIS, they are pytrees themselves and can therefore be carried through jax.lax.while_loop().

Parameters:

amps (tuple[Array, Array])

Return type:

Any