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AiiDA plugin package "aiida-mpds"

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General information

Current state:

Short description: Aiida workflows for MPDS based on CRYSTAL

How to install: pip install git+https://github.com/mpds-io/mpds-aiida

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): Andrey Sobolev

Contact: as@tilde.pro

How to use from python: import aiida_mpds

Most recent version:


Plugins provided by the package

Workflows 3

WorkChains and work functions (aiida.workflows)

  • crystal.aiida
    class mpds_aiida.workflows.aiida:AiidaStructureWorkchain
  • crystal.cif
    class mpds_aiida.workflows.cif:CIFStructureWorkchain
  • crystal.mpds
    class mpds_aiida.workflows.mpds:MPDSStructureWorkchain