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 (
Wavefunction) – Wavefunction at time of exception.
- message¶
Human readable string describing the exception.
- iteration¶
Iteration number on which routine failed.
- wfn¶
Wavefunction at time of exception.
