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Details for AiiDA plugin "aiida-fleur"

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General information

Current state: development

Go to the plugin code homepage

Documentation: Go to plugin documentation

Detailed information

Author(s): Jens Broeder

Short description: Python FLEUR simulation package containing an AiiDA Plugin for running the FLEUR-code and its input generator. Plus some workflows and utility

Package name (for pip): aiida-fleur

How to use from python: import aiida_fleur

Most recent version: 0.6.1

Summary of the entrypoints

This plugin contains:
Calculations 2 Parsers 2 Data 2 Workflows 9

Available entrypoints

Calculation plugins (aiida.calculations)

  • fleur.fleur
    class aiida_fleur.calculation.fleur:FleurCalculation
  • fleur.inpgen
    class aiida_fleur.calculation.fleurinputgen:FleurinputgenCalculation

Calculation parsers (aiida.parsers)

  • fleur.fleurparser
    class aiida_fleur.parsers.fleur:FleurParser
  • fleur.fleurinpgenparser
    class aiida_fleur.parsers.fleur_inputgen:Fleur_inputgenParser

Data types (

  • fleur.fleurinp
  • fleur.fleurinpmodifier

Workflows and WorkChains (aiida.workflows)

  • fleur.scf
    class aiida_fleur.workflows.scf:fleur_scf_wc
  • fleur.dos
    class aiida_fleur.workflows.dos:fleur_dos_wc
  • fleur.eos
    class aiida_fleur.workflows.eos:fleur_eos_wc
  • fleur.dummy
    class aida_fleur.workflows.dummy:dummy_wc
  • fleur.sub_dummy
    class aida_fleur.workflows.dummy:sub_dummy_wc
  • fleur.init_cls
    class aiida_fleur.workflows.initial_cls:fleur_initial_cls_wc
  • fleur.corehole
    class aiida_fleur.workflows.corehole:fleur_corehole_wc
  • fleur.corelevel
    class aiida_fleur.workflows.corelevel:fleur_corelevel_wc