Python GaussianHarness.functional_converter Examples

Example #1

def test_dispersion_converter(functional, result):
    """
    Make sure that dispersion corrections are converted.
    """
    theory = GaussianHarness.functional_converter(method=functional)
    assert result == theory

Example #2

def test_functional_converter(function, result):
    """
    Make sure that problem functions are converted.
    """
    theory = GaussianHarness.functional_converter(method=function)
    assert theory == result