Quantum Espresso wrapper tutorial broken

[eudoxos]

At this location, plus a few others at the same page:

docs/docs/source/jupyter/quantum-espresso.ipynb

Line 330 in d4496ad

"\u001b[0;31mTypeError\u001b[0m: _run() missing 1 required positional argument: 'simulation'"

[pablo-de-andres]

@mathias-driesse could you take a look?
Also, I think it shouldn't be wrapper.session._run() but wrapper.session.run() (note the underscore). The user calls with run() method, _run() is used to call the syntactic layer.

Edit: ok, I see this is probably done because the default run() does not allow to provide any argument. This is because theoretically all the information should be encoded in cuds, and the wrapper would analyse them. That should be changed in a future release of the wrapper, but for now the most urgent task would be to fix the errors.

[yoavnash]

Hi @mathias-driesse, were you able to fix this eventually?