enerzyme.qm.qm_driver.Psi4Driver#

class enerzyme.qm.qm_driver.Psi4Driver(supplier: Supplier, tmp_dir: str, output_dir: str, pickle_name: str, bs: str, xc: str, keep_molden: bool = False, keep_stdout: bool = False, clean_tmp: bool = True, n_processes: int = 1, dump_single_run: bool = True)[source]#

Bases: QMDriver