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ccu 0.0.6 documentation
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ccu 0.0.6 documentation
  • Get Started
  • User Guide
    • How-to Guides
      • How to generate adsorption complexes
      • Creating Free Energy Diagrams
      • Calculating thermodynamic properties
      • Bader Charge Analysis
      • Workflows
      • Thermochemistry
    • Tutorials (WIP)
      • Adsorption WIP)
      • Fancy Plots (WIP)
      • ccu.fed (WIP)
    • Reference
      • Package Index
        • ccu
          • ccu._cli
            • ccu._cli._init
            • ccu._cli._main
            • ccu._cli._utils
          • ccu.adsorption
            • ccu.adsorption._cli
            • ccu.adsorption.adsorbates
            • ccu.adsorption.complexes
            • ccu.adsorption.orientation
            • ccu.adsorption.sites
          • ccu.fancyplots
            • ccu.fancyplots._gui
              • ccu.fancyplots._gui.annotation
              • ccu.fancyplots._gui.energy
              • ccu.fancyplots._gui.fed
              • ccu.fancyplots._gui.footer
              • ccu.fancyplots._gui.formatting
              • ccu.fancyplots._gui.frames
              • ccu.fancyplots._gui.instructions
              • ccu.fancyplots._gui.mechanism
              • ccu.fancyplots._gui.menu
              • ccu.fancyplots._gui.palette
              • ccu.fancyplots._gui.root
              • ccu.fancyplots._gui.tooltip
              • ccu.fancyplots._gui.utils
            • ccu.fancyplots._cli
            • ccu.fancyplots.data
            • ccu.fancyplots.plotting
            • ccu.fancyplots.styles
            • ccu.fancyplots.validation
          • ccu.pop
            • ccu.pop._cli
            • ccu.pop.bader
          • ccu.structure
            • ccu.structure._cli
            • ccu.structure.axisfinder
            • ccu.structure.comparator
            • ccu.structure.defects
            • ccu.structure.fingerprint
            • ccu.structure.geometry
            • ccu.structure.resizecell
            • ccu.structure.symmetry
          • ccu.thermo
            • ccu.thermo._cli
            • ccu.thermo.chempot
            • ccu.thermo.gibbs
          • ccu.workflows
            • ccu.workflows.calculation
            • ccu.workflows.hubbard_u
            • ccu.workflows.infrared
            • ccu.workflows.vcdd
            • ccu.workflows.vibration
          • ccu.__about__
          • ccu.__main__
      • Command-line Tools
      • Configuration Options
    • Concepts (WIP)
      • Adsorption (WIP)
      • The Anatomy of a Free Energy Diagram (WIP)
      • Workflows (WIP)
  • Contributing to ccu
    • How to Help
    • Development Guide
    • Contributing Documentation
    • Maintenance Guide
    • Authors
  • Changelog
  • License
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ccu.workflows¶

Calculation workflow utilities.

Submodules¶

  • ccu.workflows.calculation
  • ccu.workflows.hubbard_u
  • ccu.workflows.infrared
  • ccu.workflows.vcdd
  • ccu.workflows.vibration
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ccu.workflows.calculation
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ccu.thermo.gibbs
Copyright © 2024, Ugochukwu Nwosu
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Last updated on Thu, 11 Sep 2025 20:17:13
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  • ccu.workflows
    • Submodules