ipi_broker

psi4.driver.ipi_broker(LOT, molecule=None, serverdata=False, options=None)

Runs IPIBroker to connect to i-PI (https://ipi-code.org/).

Parameters:

• LOT (str) – level of theory

• molecule (Optional[Molecule]) – Initial molecule

• serverdata (Union[str, bool]) – Configuration where to connect to ipi

• options (Optional[Dict]) – any additional Psi4 options

Return type:

IPIBroker