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AiiDA 2.8.0 documentation - Home
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  • Introduction
  • Installation
  • Tutorials
  • How-To Guides
  • Topics
  • Internal architecture
  • Core plugins
  • Reference
  • AiiDA
  • Discourse
  • GitHub
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  • Command line interface
  • Processes
    • Concepts
    • Usage
    • Process functions
  • Calculations
    • Concepts
    • Usage
  • Workflows
    • Concepts
    • Usage
  • Provenance
    • Concepts
    • Implementation
    • Consistency
    • Caching and hashing
  • Daemon
  • Data types
  • Database
  • Repository
  • Storage
  • Plugins
  • Batch Job Schedulers
  • Transport plugins
  • Performance
  • Topics
  • Calculations

Calculations#

This topic section provides detailed information on the concept of calculations in AiiDA and an extensive guide on how to work with them. An introductory guide to working with calculations can be found in “How to run external codes”.

  • Concepts
    • Calculation functions
    • Calculation jobs
  • Usage
    • Calculation functions
    • Calculation jobs

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Supported by the MARVEL National Centre of Competence in Research, the MaX European Centre of Excellence and the swissuniversities P-5 project “Materials Cloud”.
AiiDA is a NumFOCUS affiliated project.