ConvergenceError

exception psi4.driver.ConvergenceError(eqn_description, iteration, additional_info=None)

Error called for problems with converging an iterative method.

Parameters:

• eqn_description (str) – Type of QC routine that has failed (e.g., SCF, optimization).

• iteration (int) – Iteration number on which routine failed.

• additional_info (Optional[str]) – Any additional message to convey.

message

Human readable string describing the exception.

iteration

Iteration number on which routine failed.