def setUp(self): super().setUp() try: driver = GaussianDriver(molecule=TestDriver.MOLECULE) except QiskitNatureError: self.skipTest('GAUSSIAN driver does not appear to be installed') self.qmolecule = driver.run()
def setUp(self): super().setUp() try: driver = GaussianDriver([ '# rhf/sto-3g scf(conventional) geom=nocrowd', '', 'h2 molecule', '', '0 1', 'H 0.0 0.0 0.0', 'H 0.0 0.0 0.735', '' ]) except QiskitNatureError: self.skipTest('GAUSSIAN driver does not appear to be installed') self.qmolecule = driver.run()
def setUp(self): super().setUp() try: driver = GaussianDriver([ "# rhf/sto-3g scf(conventional) geom=nocrowd", "", "h2 molecule", "", "0 1", "H 0.0 0.0 0.0", "H 0.0 0.0 0.735", "", ]) except QiskitNatureError: self.skipTest("GAUSSIAN driver does not appear to be installed") self.qmolecule = driver.run()