Hello,
I need to assign human readable Id for structures I submit (like material-id in MP) , but it seems impossible to do.
add_metadata from atomate.common.powerups doesn’t work for OptimizeFW for me, failing with message ‘OptimizeFW’ object has no attribute ‘metadata’
I know that I can use OptimizeFW(name=) argument, but that will not do, because I will use another type of calculations for same structures, making this field alone not usable for mongo-type search later.
How can I do it?
I solved it: any dictionary argument passed as kwargs in python script defining firework will be collected by VaspToDb.
for example:
MyOptimizeFW(… my_db={“my_run_type”: “relax”, “external_id”:“mp-149”})