variables

psi4.core.variables(include_deprecated_keys=False)

Return all scalar or array QCVariables from global memory.

Parameters:

include_deprecated_keys (bool) – Also return duplicate entries with keys that have been deprecated.

Returns:

Map of all QCVariables that have been set.

• Scalar variables are returned as floats.

• Array variables not naturally 2D (like multipoles or per-atom charges) are returned as ndarray of natural dimensionality.

• Other array variables are returned as Matrix and may have an extra dimension with symmetry information.

Return type:

Dict[str, Union[float, ndarray, Matrix]