mdi_run¶

psi4.driver.mdi_run(scf_method, **kwargs)[source]¶

Begin functioning as an MDI (MolSSI driver interface) engine

Parameters:

scf_method (str) – Method (SCF or post-SCF) used when calculating energies or gradients.
molecule – The target molecule, if not the last molecule defined.
kwargs – Any additional arguments to pass to psi4.driver.energy() or psi4.driver.gradient() computation.