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AiiDA plugin package "aiida-codtools"

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General information

Current state:

Short description: The official AiiDA plugin for cod-tools

How to install: pip install aiida-codtools

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): The AiiDA team

Contact: developers@aiida.net

How to use from python: import aiida_codtools

Most recent version: 2.1.0

Compatibility:

Plugins provided by the package

Calculations 9 Parsers 6 Workflows 1 Console scripts 1

CalcJobs and calculation functions (aiida.calculations)

  • codtools.primitive_structure_from_cif
    class aiida_codtools.calculations.functions.primitive_structure_from_cif:primitive_structure_from_cif
  • codtools.cif_base
    class aiida_codtools.calculations.cif_base:CifBaseCalculation
  • codtools.cif_cell_contents
    class aiida_codtools.calculations.cif_cell_contents:CifCellContentsCalculation
  • codtools.cif_cod_check
    class aiida_codtools.calculations.cif_cod_check:CifCodCheckCalculation
  • codtools.cif_cod_deposit
    class aiida_codtools.calculations.cif_cod_deposit:CifCodDepositCalculation
  • codtools.cif_cod_numbers
    class aiida_codtools.calculations.cif_cod_numbers:CifCodNumbersCalculation
  • codtools.cif_filter
    class aiida_codtools.calculations.cif_filter:CifFilterCalculation
  • codtools.cif_select
    class aiida_codtools.calculations.cif_select:CifSelectCalculation
  • codtools.cif_split_primitive
    class aiida_codtools.calculations.cif_split_primitive:CifSplitPrimitiveCalculation

CalcJob parsers (aiida.parsers)

  • codtools.cif_base
    class aiida_codtools.parsers.cif_base:CifBaseParser
  • codtools.cif_cell_contents
    class aiida_codtools.parsers.cif_cell_contents:CifCellContentsParser
  • codtools.cif_cod_check
    class aiida_codtools.parsers.cif_cod_check:CifCodCheckParser
  • codtools.cif_cod_deposit
    class aiida_codtools.parsers.cif_cod_deposit:CifCodDepositParser
  • codtools.cif_cod_numbers
    class aiida_codtools.parsers.cif_cod_numbers:CifCodNumbersParser
  • codtools.cif_split_primitive
    class aiida_codtools.parsers.cif_split_primitive:CifSplitPrimitiveParser

WorkChains and work functions (aiida.workflows)

  • codtools.cif_clean
    class aiida_codtools.workflows.cif_clean:CifCleanWorkChain

Console scripts (console_scripts)

  • aiida-codtools
    class aiida_codtools.cli:cmd_root