It seems that this is not the case. Is it?
This will give error in get_builder_from_protocols implemented in aiida-quantumespresso workchains:
~/.local/lib/python3.9/site-packages/aiida_quantumespresso/workflows/pw/relax.py in get_builder_from_protocol(cls, code, structure, protocol, overrides, relax_type, options, **kwargs)
107
108 args = (code, structure, protocol)
--> 109 base = PwBaseWorkChain.get_builder_from_protocol(
110 *args, overrides=inputs.get('base', None), options=options, **kwargs
111 )
~/.local/lib/python3.9/site-packages/aiida_quantumespresso/workflows/pw/base.py in get_builder_from_protocol(cls, code, structure, protocol, overrides, electronic_type, spin_type, initial_magnetic_moments, options, **_)
170 pseudos = pseudo_family.get_pseudos(structure=structure)
171 except ValueError as exception:
--> 172 raise ValueError(
173 f'failed to obtain recommended cutoffs for pseudo family `{pseudo_family}`: {exception}'
174 ) from exception
ValueError: failed to obtain recommended cutoffs for pseudo family `SsspFamily<SSSP/1.3/PBEsol/precision>`: no default stringency has been defined.
This also affects the functionalities of the aiidalab-qe app, in which we allow to choose this particular pseudo family. Due to the missing stringency, we face these issues:
- no recommended cutoffs can be suggested
- even if we put custom cutoff but we use this pseudo family, the builder creation will except (with the exception mentioned above)
It seems that this is not the case. Is it?
This will give error in
get_builder_from_protocolsimplemented inaiida-quantumespressoworkchains:This also affects the functionalities of the
aiidalab-qeapp, in which we allow to choose this particular pseudo family. Due to the missing stringency, we face these issues: