Python GaussianDriver.run Examples

Example #1

 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()

Example #2

 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()

Example #3

File: test_driver_gaussian.py Project: manoelmarques/qiskit-nature

 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()