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AiiDA plugin package "aiida-spex"

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General information

Current state:

Short description: AiiDA plugin for SPEX code

How to install: pip install git+https://github.com/JuDFTteam/aiida-spex

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): The SPEX Team

Contact: a.chandran@fz-juelich.de

How to use from python: import aiida_spex

Most recent version: 1.1.2

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 1 Data 1 Workflows 1

CalcJobs and calculation functions (aiida.calculations)

  • spex.spex
    class aiida_spex.calculations.spex:SpexCalculation

Data node types (aiida.data)

  • spex.spexinp
    class aiida_spex.data.spexinp:SpexinpData

CalcJob parsers (aiida.parsers)

  • spex.spexparser
    class aiida_spex.parsers.spex:SpexParser

WorkChains and work functions (aiida.workflows)

  • spex.job
    class aiida_spex.workflows.job:SpexJobWorkchain