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defchange_struc_imp_aux_wf(struc, imp_info): # Note: works for single imp at center only!
to add the @wf decorator just before the function definition, aiida should automatically recognize that inputs and outputs are nodes in the database and create the corresponding database nodes with links. This will improve the readability of the workflow afterwards since it makes it clearer to track how input and auxiliary structures are connected.
Here wf should be imported like this:
from aiida.work.workfunctions import workfunction as wf
The text was updated successfully, but these errors were encountered:
List of changes:
- fixed issue #13 (change_struc_imp_aux is now a workfunction)
- more information in workflow_info node of kkr_imp workflow
- better graph structure for the kkr_imp_sub workflow
- new input in get_inputs_kkrimp and get_inputs_common
If we change the definition of the function
aiida-kkr/aiida_kkr/workflows/kkr_imp.py
Line 529 in 8a2febe
to add the
@wf
decorator just before the function definition, aiida should automatically recognize that inputs and outputs are nodes in the database and create the corresponding database nodes with links. This will improve the readability of the workflow afterwards since it makes it clearer to track how input and auxiliary structures are connected.Here
wf
should be imported like this:The text was updated successfully, but these errors were encountered: