aiidateam / aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins
https://aiida-common-workflows.readthedocs.io
MIT License
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Entry points should be assigned to "extractors" functions #268

Open bosonie opened 2 years ago

bosonie commented 2 years ago

We started to introduce "extractors" functions that can extract from a run of a common workflow some quantities that are not explicit outputs of the common workflow. For instance it is useful to create for every implementation of the CommonRelaxWorkChain a function that extracts the TS contribution to the energy.

An entry point should be assigned to these functions and: