psi4.driver.qcdb.vib.compare_vibinfos(expected, computed, tol, label, verbose=1, forgive=None, required=None, toldict=None)[source]

Returns True if two dictionaries of vibration Datum objects are equivalent within a tolerance.

  • expected (Dict[str, Datum]) – Reference value against which computed is compared.

  • computed (Dict[str, Datum]) – Input value to compare against expected. Must contain all fields of expected.

  • tol (float) – Absolute tolerance.

  • label (str) – Label for passed and error messages.

  • verbose (int) – Control printing.

  • forgive (Optional[List]) – Keys in top level which may change between expected and computed without triggering failure.

  • required (Optional[List]) – Keys in top level which must be present in computed. (“omega” recc. for vibs.)

  • toldict (Optional[Dict[str, float]]) – Tolerances for specific keys.


allclose – Returns True if expected and computed are equal within tolerance; False otherwise.

Return type: