empa-scientific-it / cleedpy

MIT License
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Define a single configuration input file for all the tools. #19

Closed yakutovicha closed 10 months ago

yakutovicha commented 11 months ago

We need to establish a configuration file that is used by all the tools. Preferably, it should be in YAML format.

The issue should be closed when a complete example is uploaded to the repository.

yakutovicha commented 11 months ago

setup.yaml

leed:
    unit_cell:
    ...
    surface_coordinates:
    bulk_coordinates:
rfactor:
    correspondance:
        ...
search:
        ...