Be able to use existing data node's in the AiiDA database as inputs to new ChemShell workflows. This already exists for the structure input field but it is not currently possible to, for example, use an existing set of 'qm_parameters' from a previous process which will have stored them as a Dict node in the database.
Be able to use existing data node's in the AiiDA database as inputs to new ChemShell workflows. This already exists for the structure input field but it is not currently possible to, for example, use an existing set of 'qm_parameters' from a previous process which will have stored them as a Dict node in the database.