📚 Update PwBaseWorkChain example
#18
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@DrFedro I can't add you as a reviewer since you're not a collaborator on the repo, but please have a look and let me know if the example is clear and if you have any comments? |
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Note: I'm also still updating the addition table example. |
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It's all good and clear! Thanks @mbercx |
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Thanks @DrFedro! So far I hadn't updated these to also keep support for AiiDA v1, but I should probably do a final release for that and then update the deprecated methods. |
The purpose of the `unique_extra_keys` field is that the user can define the keys of the extras that track which calculations have been run upon instantiation of the submission controller. However, it's also possible the user might override the `get_extra_unique_keys()` method to fix these keys, as is done in the `add_in_batches` example. In this case the user should not have to specify the `unique_extra_keys`, but that currently doesn't work because we didn't set a default. This is fixed here.
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Fixes #17