ConvergenceError

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

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.

Type:

str

iteration

Iteration number on which routine failed.

Type:

int