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Taking things to next level

There are still a lot of things we would want to do with our new workflow. For example, what if we want to...

  • modify a complex workflow (such as diffusion.vasp.neb-all-paths-mit)
  • create a custom workflow using a new program like USPEX or ABINIT
  • use a custom database table to save our workflow results
  • access the workflow in the website interface
  • access our workflow from other scripts (and the get_workflow function)

We will cover these topics in the next tutorial -- while we tackle custom database tables as the same time.


For creating complex workflows and databases, you'll need to read through our API documentation, where we cover advanced cases. Also, don't be hesitate to post a question on our forum. We can also tell you the best place to start.