OptimizationConvergenceError¶

exception psi4.driver.OptimizationConvergenceError(eqn_description, iteration, wfn)[source]¶

Error called for problems with geometry optimizer.

Parameters:

eqn_description (str) – Type of QC routine that has failed (e.g., geometry optimization).
iteration (int) – Iteration number on which routine failed.
wfn (psi4.core.Wavefunction) – Wavefunction at time of exception.

message¶

Human readable string describing the exception.

Type:: str

iteration¶

Iteration number on which routine failed.

Type:: int

wfn¶

Wavefunction at time of exception.

Type:: psi4.core.Wavefunction