DFSOMCSCF

class psi4.core.DFSOMCSCF

Bases: psi4.core.SOMCSCF

docstring

Ck(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix) → psi4.core.Matrix

H_approx_diag(self: psi4.core.SOMCSCF) → psi4.core.Matrix

approx_solve(self: psi4.core.SOMCSCF) → psi4.core.Matrix

compute_AFock(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix) → psi4.core.Matrix

compute_Hk(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix) → psi4.core.Matrix

compute_Q(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix) → psi4.core.Matrix

compute_Qk(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix) → psi4.core.Matrix

current_AFock(self: psi4.core.SOMCSCF) → psi4.core.Matrix

current_IFock(self: psi4.core.SOMCSCF) → psi4.core.Matrix

current_ci_energy(self: psi4.core.SOMCSCF) → float

current_docc_energy(self: psi4.core.SOMCSCF) → float

current_total_energy(self: psi4.core.SOMCSCF) → float

form_rotation_matrix(self: psi4.core.SOMCSCF, x: psi4.core.Matrix, order: int=2) → psi4.core.Matrix

gradient(self: psi4.core.SOMCSCF) → psi4.core.Matrix

gradient_rms(self: psi4.core.SOMCSCF) → float

rhf_energy(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix) → float

solve(self: psi4.core.SOMCSCF, arg0: int, arg1: float, arg2: bool) → psi4.core.Matrix

update(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → None

zero_redundant(self: psi4.core.SOMCSCF, arg0: psi4.core.Matrix) → None