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AiiDA plugin package "aiida-bigdft"

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General information

Current state: development Adds new functionality, not yet ready for production. Testing welcome!

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


How to use from python: import aiida_bigdft

Most recent version: 0.1.0a0

Compatible with aiida-core: >=1.0.0b3,<2.0.0

Plugins provided by the package

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

Data node types (

  • bigdft
  • bigdft_logfile

CalcJobs and calculation functions (aiida.calculations)

  • bigdft
    class aiida_bigdft.calculations:BigDFTCalculation

CalcJob parsers (aiida.parsers)

  • bigdft
    class aiida_bigdft.parsers:BigDFTParser

verdi data commands (

  • bigdft
    class aiida_bigdft.cli:data_cli