set_options¶

psi4.driver.set_options(options_dict, verbose=1)[source]¶

Sets Psi4 options from an input dictionary.

Parameters:

options_dict (Dict[str, Any]) –
Dictionary where keys are case insensitive and values are the option value.
- For global options, keys are "<option_name>".
- For option local to “<module_name>”, keys are "<module_name>__<option_name>" (double underscore separation).
- For contents that would be in pcm = {...}, use "PCM__INPUT" key.
verbose (int) – Control print volume.

Return type:

None

Examples

>>> psi4.set_options({
        "basis": "cc-pvtz",
        "df_basis_scf": "cc-pvtz-jkfit",
        "scf__reference": "uhf",
        "print": 2})