Current state:

Short description: The Official AiiDA plugin for the cod-tools package.

How to install: pip install aiida-codtools

Source code: Go to the source code repository

Author(s):

Contact: The AiiDA team <developers@aiida.net>

How to use from python: import aiida_codtools

Most recent version: 3.1.0

Compatibility:

Plugins provided by the package

Calculations 9 Parsers 6 Workflows 1 Console scripts 1

CalcJobs and calculation functions (aiida.calculations)

• 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
• codtools.primitive_structure_from_cif
  class aiida_codtools.calculations.functions.primitive_structure_from_cif:primitive_structure_from_cif

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