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AiiDA plugin package "aiida-quantumespresso-hp"

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General information

Current state:

Short description: The AiiDA plugin for the Hubbard module of Quantum ESPRESSO

How to install: pip install git+https://github.com/sphuber/aiida-quantumespresso-hp

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): Sebastiaan P. Huber

Contact: mail@sphuber.net

How to use from python: import aiida_quantumespresso_hp

Most recent version: 0.1.0

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 1 Workflows 4 Console scripts 4

CalcJobs and calculation functions (aiida.calculations)

  • quantumespresso.hp
    class aiida_quantumespresso_hp.calculations.hp:HpCalculation

CalcJob parsers (aiida.parsers)

  • quantumespresso.hp
    class aiida_quantumespresso_hp.parsers.hp:HpParser

WorkChains and work functions (aiida.workflows)

  • quantumespresso.hp.main
    class aiida_quantumespresso_hp.workflows.hp.main:HpWorkChain
  • quantumespresso.hp.parallelize_atoms
    class aiida_quantumespresso_hp.workflows.hp.parallelize_atoms:HpParallelizeAtomsWorkChain
  • quantumespresso.hp.base
    class aiida_quantumespresso_hp.workflows.hp.base:HpBaseWorkChain
  • quantumespresso.hp.hubbard
    class aiida_quantumespresso_hp.workflows.hubbard:SelfConsistentHubbardWorkChain

Console scripts (console_scripts)

  • launch_calculation_hp
    class aiida_quantumespresso_hp.cli.calculations.hp:launch
  • launch_workflow_hp_base
    class aiida_quantumespresso_hp.cli.workflows.hp.base:launch
  • launch_workflow_hp_main
    class aiida_quantumespresso_hp.cli.workflows.hp.main:launch
  • launch_workflow_hp_hubbard
    class aiida_quantumespresso_hp.cli.workflows.hubbard:launch