Added task_property hook so that I can do fun stuff with the DFT property code from Python. Only the energy is returned.  The properties must be access using rtdb_get once the appropriate hooks are in the property code.
Added task_property hook so that I can do fun stuff with the DFT property code from Python.
Only the energy is returned.  The properties must be access using rtdb_get once the appropriate hooks are in the property code.



rangsimanketkaew/NWChem