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AiiDA plugin package "aiida-phtools"

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General information

Current state:

Short description: AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.

How to install: pip install --pre aiida-phtools

Source code: Go to the source code repository

Documentation: No documentation provided by the package author

Detailed information

Author(s): Leopold Talirz

Contact: leopold.talirz@gmail.com

How to use from python: import aiida_phtools

Most recent version: 0.1.0b1


Plugins provided by the package

Calculations 2 Parsers 2 Data 1

CalcJobs and calculation functions (aiida.calculations)

  • phtools.surface
    class aiida_phtools.calculations.pore_surface:PoreSurfaceCalculation
  • phtools.dmatrix
    class aiida_phtools.calculations.distance_matrix:DistanceMatrixCalculation

CalcJob parsers (aiida.parsers)

  • phtools.surface
    class aiida_phtools.parsers.pore_surface:PoreSurfaceParser
  • phtools.dmatrix
    class aiida_phtools.parsers.distance_matrix:DistanceMatrixParser

Data node types (aiida.data)

  • phtools.surface
    class aiida_phtools.data.pore_surface:PoreSurfaceParameters