psi4.core.SOMCSCF

class psi4.core.SOMCSCF

Bases: object

docstring

Methods Summary

Ck((self: psi4.core.SOMCSCF, ...)
H_approx_diag(...)
approx_solve(...)
compute_AFock((self: psi4.core.SOMCSCF, ...)
compute_Hk((self: psi4.core.SOMCSCF, ...)
compute_Q((self: psi4.core.SOMCSCF, ...)
compute_Qk((self: psi4.core.SOMCSCF, ...)
current_AFock(...)
current_IFock(...)
current_ci_energy(...)
current_docc_energy(...)
current_total_energy(...)
form_rotation_matrix(...)
gradient(...)
gradient_rms((self: psi4.core.SOMCSCF) -> float)
rhf_energy((self: psi4.core.SOMCSCF, ...)
solve((self: psi4.core.SOMCSCF, arg0: int, ...)
update((self: psi4.core.SOMCSCF, ...)
zero_redundant((self: psi4.core.SOMCSCF, ...)

Methods Documentation

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

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