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AiiDA plugin package "aiida-ase"

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General information

Current state:

Short description: The official AiiDA plugin for ASE.

How to install: pip install aiida-ase

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s):

Contact: The AiiDA team <developers@aiida.net>

How to use from python: import aiida_ase

Most recent version: 2.0.0

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 2 Workflows 1

CalcJobs and calculation functions (aiida.calculations)

  • ase.ase
    class aiida_ase.calculations.ase:AseCalculation

CalcJob parsers (aiida.parsers)

  • ase.ase
    class aiida_ase.parsers.ase:AseParser
  • ase.gpaw
    class aiida_ase.parsers.gpaw:GpawParser

WorkChains and work functions (aiida.workflows)

  • ase.gpaw.base
    class aiida_ase.workflows.base:GpawBaseWorkChain