Order of completed `CalcJob`s in `VaspBaseWorkChain`

ezpzbz / aiida-catmat

Collection of AiiDA WorkChains Developed in CATMAT project

MIT License

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Order of completed `CalcJob`s in `VaspBaseWorkChain` #22

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

context

Simple appending of completed CalcJob nodes in a VaspBaseWorkChain does not guarantee the last item in list would be actually the last completed calculation. Therefore, the attached last incar would not necessarily be the last converged one.

solution

Get the CalcJob with highest pk from the list of completed CalcJob nodes.