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AiiDA plugin package "aiida-bigdft"

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General information

Current state:

Short description: Aiida plugin for BigDFT code

How to install: pip install --pre aiida-bigdft

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): The BigDFT Team

Contact: bigdft-developers@lists.launchpad.net

How to use from python: import aiida_bigdft

Most recent version: 0.2.1a2

Compatibility:

Plugins provided by the package

Calculations 2 Parsers 1 Data 2 Workflows 2 Other (Data commands) 1

Data node types (aiida.data)

  • bigdft
    class aiida_bigdft.data:BigDFTParameters
  • bigdft_logfile
    class aiida_bigdft.data:BigDFTLogfile

CalcJobs and calculation functions (aiida.calculations)

  • bigdft
    class aiida_bigdft.calculations.bigdft:BigDFTCalculation
  • postscript
    class aiida_bigdft.calculations.postscript:ScriptCalculation

CalcJob parsers (aiida.parsers)

  • bigdft
    class aiida_bigdft.parsers:BigDFTParser

verdi data commands (aiida.cmdline.data)

  • bigdft
    class aiida_bigdft.cli:data_cli

WorkChains and work functions (aiida.workflows)

  • bigdft
    class aiida_bigdft.workflows.base:BigDFTBaseWorkChain
  • bigdft.relax
    class aiida_bigdft.workflows.relax:BigDFTRelaxWorkChain