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