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AiiDA plugin package "aiida-alloy"

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General information

Current state: registered Not yet ready to use. Developers welcome!

Short description: AiiDA plugin for studying alloys

How to install: pip install git+

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): Daniel Marchand, Albert Glensk


How to use from python: import aiida_alloy

Most recent version: 0.1.0a0

Compatible with aiida-core: >=1.0.0b1,<2.0.0

Plugins provided by the package

Calculations 1 Parsers 1 Data 1 Other (Console scripts, Data commands) 9

Data node types (

  • alloy

CalcJobs and calculation functions (aiida.calculations)

  • alloy
    class aiida_alloy.calculations:DiffCalculation

CalcJob parsers (aiida.parsers)

  • alloy
    class aiida_alloy.parsers:DiffParser

verdi data commands (

  • alloy

Command-line scripts (console_scripts)

  • create_randomsupercell_structures
    class aiida_alloy.cli.create_randomsupercell_structures:cli
  • create_surface_structures
    class aiida_alloy.cli.create_surface_structures:cli
  • create_solutesupercell_structures
    class aiida_alloy.cli.create_solutesupercell_structures:cli
  • create_stackingfault_structures
    class aiida_alloy.cli.create_stackingfault_structures:cli
  • dump_group_to_runner
    class aiida_alloy.cli.dump_group_to_runner:cli
  • launch_workflow_alloy
    class aiida_alloy.cli.launch_workflow_alloy:cli
  • load_oqmd_dump
    class aiida_alloy.cli.load_oqmd_dump:cli
  • load_runner_dump
    class aiida_alloy.cli.load_runner_dump:cli