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()
orpsi4.driver.gradient()
computation.