lsmo-epfl / aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL
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irreproducible cp2k input files #59

Closed ltalirz closed 3 years ago

ltalirz commented 3 years ago

the get_kinds_section and get_kinds_with_ghost_section functions were iterating over sets, producing kinds lists of random order which are then reflected in the input files. This confuses the hashing mechanism of aiida-testing (and it is anyhow a good idea to make the input files reproducible)