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AiiDA WorkGraph documentation
AiiDA WorkGraph documentation

Contents:

  • Quick Start
  • Installation
  • Tutorials
    • Computational materials science
    • Equation of state (EOS) WorkGraph
  • HowTos
    • Define graph-level inputs and outputs
    • Run tasks in parallel
    • Control flow in WorkGraph
    • Using the Context
    • Run shell commands as a task
    • Run calculations remotely
    • Combine workgraphs
    • Continue a finished workgraph
    • Run async functions as tasks
    • Monitor external events as a task
    • Control task execution order
    • Write error-resistant workflows
    • Write workflow using node-graph programming paradigm
    • Command line interface
    • How to control (pause, play, kill) the task
    • Interoperate with aiida-core components
    • Further reading
  • Migrating from AiiDA Core to Workgraph
    • Convert WorkChain to WorkGraph
    • Error Handling in WorkGraph
  • Concepts
    • Task
    • WorkGraph
    • Sockets
    • Graph Task
  • GUI
    • WorkGraph web UI
  • Development
    • Custom Task
    • Data Serialization
    • Pre-commit and Tests
    • PythonJob to run Python function on a remote computer
    • Engine
    • Map task
  • Gallery
  • Blogs
    • Unlocking Flexibility with AiiDA-WorkGraph
    • Streamline Your Research: Integrate Your Favorite Tools with AiiDA-WorkGraph
  • Frequently Asked Questions
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Migrating from AiiDA Core to Workgraph

Learn how to transition your existing workflows from AiiDA Core to the AiiDA Workgraph framework. This guide covers key concepts, and practical steps for a seamless migration.

Contents:

  • Convert WorkChain to WorkGraph
  • Error Handling in WorkGraph
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Convert WorkChain to WorkGraph
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Interoperate with aiida-core components
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