CompositeJK

class psi4.core.CompositeJK

Bases: JK

docstring

Methods Summary

clear_D_prev(self)	Clear previous D matrices.
do_incfock_iter(self)	Was the last Fock build incremental?
get_COSX_grid(self)	Return grid used for COSX for this SCF iteration.
get_snLinK_max_am(self)	Return maximum AM supported by current GauXC instance, if GauXC support is enabled.
set_COSX_grid(self, arg0)	Set grid to use for COSX for this SCF iteration.

Methods Documentation

clear_D_prev(self: psi4.core.CompositeJK) → None

Clear previous D matrices.

do_incfock_iter(self: psi4.core.CompositeJK) → bool

Was the last Fock build incremental?

get_COSX_grid(self: psi4.core.CompositeJK) → str

Return grid used for COSX for this SCF iteration.

get_snLinK_max_am(self: psi4.core.CompositeJK) → int

Return maximum AM supported by current GauXC instance, if GauXC support is enabled.

set_COSX_grid(self: psi4.core.CompositeJK, arg0: str) → None

Set grid to use for COSX for this SCF iteration.