def make_molecule(self, *args, **kwargs) -> MolecularData:
    'Creates a molecule in openfermion format by running psi4 and extracting the data\n        Will check for previous outputfiles before running\n        Will not recompute if a file was found\n\n        Parameters\n        ----------\n        parameters :\n            An instance of ParametersQC, which also holds an instance of ParametersPsi4 via parameters.psi4\n            The molecule will be saved in parameters.filename, if this file exists before the call the molecule will be imported from the file\n\n        Returns\n        -------\n        type\n            the molecule in openfermion.MolecularData format\n\n        '
    molecule = MolecularData(**self.parameters.molecular_data_param)
    do_compute = True
    try:
        import os
        if os.path.exists(self.parameters.filename):
            molecule.load()
            do_compute = False
    except OSError:
        do_compute = True
    if do_compute:
        molecule = self.do_make_molecule(*args, **kwargs)
    molecule.save()
    return molecule
Creates a molecule in openfermion format by running psi4 and extracting the data
Will check for previous outputfiles before running
Will not recompute if a file was found

Parameters
----------
parameters :
    An instance of ParametersQC, which also holds an instance of ParametersPsi4 via parameters.psi4
    The molecule will be saved in parameters.filename, if this file exists before the call the molecule will be imported from the file

Returns
-------
type
    the molecule in openfermion.MolecularData format
def make_molecule(self, *args, **kwargs) -> MolecularData:
    'Creates a molecule in openfermion format by running psi4 and extracting the data\n        Will check for previous outputfiles before running\n        Will not recompute if a file was found\n\n        Parameters\n        ----------\n        parameters :\n            An instance of ParametersQC, which also holds an instance of ParametersPsi4 via parameters.psi4\n            The molecule will be saved in parameters.filename, if this file exists before the call the molecule will be imported from the file\n\n        Returns\n        -------\n        type\n            the molecule in openfermion.MolecularData format\n\n        '
    molecule = MolecularData(**self.parameters.molecular_data_param)
    do_compute = True
    try:
        import os
        if os.path.exists(self.parameters.filename):
            molecule.load()
            do_compute = False
    except OSError:
        do_compute = True
    if do_compute:
        molecule = self.do_make_molecule(*args, **kwargs)
    molecule.save()
    return molecule