JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-fleur.readthedocs.io
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Expose ``clean_workdir`` input from Base workchains option to higher workchains #142

Closed janssenhenning closed 2 years ago

janssenhenning commented 3 years ago

The BaseRestartWorkChain has the input clean_workdir to delete the contents of the remote folder after execution. However, at the moment it is not possible to use this option for example in the SCF workchain since it does not provide the inputs for it

This would be really useful to keep the memory usage on a remote machine down without manually cleaning up

janssenhenning commented 2 years ago

Implemented in e7cf4a1. clean_workdir can now be entered in the add_comp_para section if the inputs are generated by get_inputs_fleur