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AiiDA plugin package "aiida-porousmaterials"

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General information

Current state: development Adds new functionality, not yet ready for production. Testing welcome!

Short description: AiiDA plugin for PorousMaterials code

How to install: pip install git+

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): Pezhman Zarabadi-Poor


How to use from python: import aiida_porousmaterials

Most recent version: 1.0.0a1

Compatible with aiida-core: >=1.0.0b5

Plugins provided by the package

Calculations 1 Parsers 1 Workflows 2

CalcJobs and calculation functions (aiida.calculations)

  • porousmaterials
    class aiida_porousmaterials.calculations:PorousMaterialsCalculation

CalcJob parsers (aiida.parsers)

  • porousmaterials
    class aiida_porousmaterials.parser:PorousMaterialsParser

WorkChains and work functions (aiida.workflows)

  • porousmaterials.base
    class aiida_porousmaterials.workchains:PorousMaterialsBaseWorkChain
  • aiida_porousmaterials.workflows.voronoi_energy
    class aiida_porousmaterials.workflows.voronoi_energy:VoronoiEnergyWorkChain