Allow more options for cell_dofree in cell optimization

[cpignedoli]

I would add at least the following options:

• ibrav
• 2Dxy (for 2D systems assuming we always have z as the axis perp to the system)
• x for 1D systems that we can suppose aligned to x

aiida-quantumespresso/src/aiida_quantumespresso/workflows/pw/relax.py

Line 121 in 20f7bac

# Quantum ESPRESSO currently only supports optimization of the volume for simple cubic systems. It requires

[mbercx]

Thanks for reporting @cpignedoli, and sorry for the slow response. @AndresOrtegaGuerrero and I just merged #907, which addresses points 2 & 3 of your request I believe.

Regarding ibrav: although the get_builder_from_protocol() method will always set ibrav to 0, you can always override this setting and also set cell_dofree to ibrav (although I haven't tested this yet). The code snippet you show could be changed in that for these RelaxTypes ibrav is set to 1 and the cell is checked to correspond to this, I suppose. Is this what you're looking for?