Dependencies: update to aiida-pseudo==0.4.0
#630
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@mbercx the new version of |
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mbercx
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Thanks @sphuber, looks good to me! 👌
Just added a minor comment re helping the user a bit when using get_builder_from_protocol without having the required SSSP family installed. Will already approve, so feel free to merge at your leisure!
This new minor version comes with some significant changes: * All format specific pseudopotential family subclasses have been removed, for example, `UpfFamily` no longer exists. The format of the pseudos in a family are now stored as an extra and can be retrieved through the `pseudo_type` property. The command line option param type `PseudoFamilyType` was updated to reflect these changes. * The recommended cutoffs for families are now always stored in electronvolt. They therefore have to be converted explicitly to Rydberg before they are passed to the calculations.
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This new minor version comes with some significant changes:
All format specific pseudopotential family subclasses have been
removed, for example,
UpfFamilyno longer exists. The format ofthe pseudos in a family are now stored as an extra and can be
retrieved through the
pseudo_typeproperty. The command lineoption param type
PseudoFamilyTypewas updated to reflect thesechanges.
The recommended cutoffs for families are now always stored in
electronvolt. They therefore have to be converted explicitly to
Rydberg before they are passed to the calculations.