📚 Update PwBaseWorkChain example
#18
Conversation
|
@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? |
|
Note: I'm also still updating the addition table example. |
mbercx
force-pushed
the
imp/pw-base-example
branch
2 times, most recently
from
9d341b7 to
e04b8b9
Compare
It's all good and clear! Thanks @mbercx |
|
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.
mbercx
force-pushed
the
imp/pw-base-example
branch
from
e04b8b9 to
6f52a34
Compare
Fixes #17