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Details for AiiDA plugin "aiida-ddec"

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General information

Current state: development

Go to the plugin code homepage

Documentation: Documentation not provided by the plugin author

Detailed information

Author(s): Aliaksandr Yakutovich

Short description: AiiDA plugin DDEC code

Package name (for pip): aiida-ddec

How to use from python: import aiida_ddec

Most recent version: 0.1.0

Summary of the entrypoints

This plugin contains:
Calculations 1 Parsers 1 Workflows 1

Available entrypoints

Calculation plugins (aiida.calculations)

  • ddec
    class aiida_ddec.calculations:DdecCalculation

Calculation parsers (aiida.parsers)

  • ddec
    class aiida_ddec.parsers:DdecParser

Workflows and WorkChains (aiida.workflows)

  • ddec
    class aiida_ddec.workflows:DdecCp2kChargesWorkChain