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QEF / qeschemas

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Add missing options for `lowhighType` enumeration #17

Closed sphuber closed 4 months ago

sphuber commented 1 year ago

The disk_io input supports (currently at least) 5 different values:

See documentation https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm128 The input is represented in the XML schema by the lowhighType which only includes the low and high options though, causing parsing of calculations done with any of the other options to fail. Here the missing options are added.

sphuber commented 1 year ago

@pietrodelugas Not sure whether the PW_CPV/qes_current_master.xsd file should also be updated. Also, need the older versions be fixed retroactively, since they also have an incomplete enumeration in the schema. Or will that be ineffective?

All the schemas that we include with aiida-quantumespresso only have the low and high options. So as far as I can tell, I think all schemas going back to at least qes_190304.xsd are affected.

pietrodelugas commented 4 months ago

I have added this changes in MR #18 that has been just merged.