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lsmo-epfl / aiida-zeopp

AiiDA plugin for zeo++
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Expected file list for zeo++ option with Boolean flag #45

Closed ezpzbz closed 5 years ago

ezpzbz commented 5 years ago

I recently realized that when we are using zeo++ flags like res where they accept Boolean flag, even if we set the flag to False, plugin still puts the expected output file in the list which results in crashing even though the calculations are done. The example on the effect of this issue happened in my WorkChain when I wanted to modify the zeopp.parameters at some point in the workchain and realized the issue. Currently, I resolved it by deleting the key from the dictionary but thought to report here, in case, we decide to fix it.

ltalirz commented 5 years ago

Thanks for pointing out this issue - just added a commit in #38 that should hopefully fix this (if not, it's tested now, so travis should fail).