i wanted to save the device cfg after the initial density calculation, but every time i load it it tells me there is no initial information there, and it has to start over ..
here is where i am saving after this part:
calculator = my_DeviceHuckelCalculator(oList)
device_configuration.setCalculator(calculator, initial_state=device_configuration)
device_configuration.update()
nlsave(<filename>, device_configuration, object_id="cfg")
then next time when i run i use:
device_configuration = nlread(<filename>, object_id="cfg")[0]
but it always then tells me there is nothing there ... the file is 300MB after i save the cfg above .. how do i accomplish what i am trying to do?