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AiiDA plugin package "aiida-ddec"

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General information

Current state:

Short description: AiiDA plugin for DDEC code

How to install: pip install git+https://github.com/yakutovicha/aiida-ddec

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): Aliaksandr Yakutovich

Contact: aliaksandr.yakutovich@epfl.ch

How to use from python: import aiida_ddec

Most recent version: 1.1.0


Plugins provided by the package

Calculations 1 Parsers 1 Workflows 1

CalcJobs and calculation functions (aiida.calculations)

  • ddec
    class aiida_ddec.calculations:DdecCalculation

CalcJob parsers (aiida.parsers)

  • ddec
    class aiida_ddec.parsers:DdecParser

WorkChains and work functions (aiida.workflows)

  • ddec.cp2k_ddec
    class aiida_ddec.workchains:Cp2kDdecWorkChain