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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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Relax workchain crashes when `calc_parameters` not given #194

Closed PhilippRue closed 2 years ago

PhilippRue commented 2 years ago

The relax workchain crashes in the following line if the optional calc_parameters input is not given

https://github.com/JuDFTteam/aiida-fleur/blob/3c75e9d1fd1543774fe3240106f8754e8e239826/aiida_fleur/workflows/relax.py#L245

This is because it tries to remove a non-existing entry from the builder.