workflows

workchainaiida_raspa.workchains.base.RaspaBaseWorkChain

Workchain to run a RASPA calculation with automated error handling and restarts.

Inputs:

  • max_iterations, Int, optional – Maximum number of iterations the work chain will restart the calculation to finish successfully.
  • metadata, Namespace
    Namespace Ports
    • call_link_label, (str), optional, non_db – The label to use for the CALL link if the process is called by another process.
    • description, (str), optional, non_db – Description to set on the process node.
    • label, (str), optional, non_db – Label to set on the process node.
    • store_provenance, bool, optional, non_db – If set to False provenance will not be stored in the database.

Outputs:

None defined.