AiiDA registry of plugins

[View on GitHub/register your plugin]

Global summary of the AiiDA plugin registry

Total number of entries: 36

Calculations 62 plugins in 25 entries Parsers 55 plugins in 25 entries Data 24 plugins in 13 entries Workflows 53 plugins in 11 entries OtherCmdline data, Console scripts, TCOD plugins, Tests 40 plugins in 12 entries

Available plugins (alphabetically sorted)

alloy: aiida-alloy package

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

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ase: aiida-ase package

The official AiiDA plugin for ASE

Current state: stable

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 1 Parsers 1

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bands-inspect: aiida-bands-inspect package

AiiDA Plugin for running bands_inspect

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 2 Parsers 3

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castep: aiida-castep package

AiiDA plugin for CASTEP

Current state: development

Plugin code homepage (hosted on gitlab.com)

Documentation: Go to plugin documentation

Calculations 5 Parsers 2 Data 2 Other (Tests, Cmdline data) 4

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codtools: aiida-codtools package

The official AiiDA plugin for COD tools

Current state: stable

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 6 Parsers 6

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cp2k: aiida-cp2k package

The CP2K plugin for the AiiDA workflow and provenance engine.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1

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crystal17: aiida-crystal17 package

AiiDA plugin for running the CRYSTAL17 code

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 2 Parsers 1 Data 4 Workflows 1 Other (Console scripts, Cmdline data) 3

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ddec: aiida-ddec package

AiiDA plugin DDEC code

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Workflows 1

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diff: aiida-diff package

AiiDA demo plugin that computes the difference between two files.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 1 Parsers 1 Data 1 Other (Cmdline data) 1

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fleur: aiida-fleur package

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

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gaussian-datatypes: aiida-gaussian-datatypes package

AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Data 2 Other (Cmdline data) 2

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gollum: aiida-gollum package

A plugin for Gollum functionality within AiiDA framework.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 1 Parsers 1

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gudhi: aiida-gudhi package

AiiDA plugin for the [GUDHI](http://gudhi.gforge.inria.fr/) library for topological data analysis.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Data 1

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kkr: aiida-kkr package

AiiDA plugin for the KKR code

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 4 Parsers 4 Data 1 Workflows 9 Other (Console scripts) 1

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lammps: aiida-lammps package

AiiDA plugin for LAMMPS

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 5 Parsers 4 Data 1

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nwchem: aiida-nwchem package

The official AiiDA plugin for NWChem

Current state: stable

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 2 Parsers 3 Other (TCOD plugins, Tests) 2

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optimize: aiida-optimize package

AiiDA Plugin for running optimization algorithms.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Workflows 1

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phonopy: aiida-phonopy package

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

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phtools: aiida-phtools package

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

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 2 Parsers 2 Data 1

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qeq: aiida-qeq package

AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 2 Parsers 2 Data 2

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quantumespresso: aiida-quantumespresso package

The official AiiDA plugin for Quantum ESPRESSO

Current state: stable

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 12 Parsers 10 Data 1 Workflows 7 Other (Tests, Console scripts, TCOD plugins) 15

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quantumespresso-hp: aiida-quantumespresso-hp package

The AiiDA plugin for the Hubbard module of Quantum ESPRESSO

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Workflows 4 Other (Console scripts) 4

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raspa: aiida-raspa package

AiiDA plugin for RASPA code

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Workflows 1

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siesta: aiida-siesta package

A plugin for Siesta's basic functionality within AiiDA framework.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 2 Parsers 2 Data 1 Other (Cmdline data) 1

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spex: aiida-spex package

Current state: registered

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

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strain: aiida-strain package

AiiDA Plugin for applying strain to structures

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Workflows 2

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symmetry-representation: aiida-symmetry-representation package

AiiDA Plugin for symmetry representations.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 1 Parsers 1

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tbextraction: aiida-tbextraction package

AiiDA Plugin for extracting tight-binding models

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Workflows 14

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tbmodels: aiida-tbmodels package

AiiDA Plugin for running TBmodels

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 4 Parsers 1

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tcod: aiida-tcod package

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

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vasp: aiida-vasp package

AiiDA Plugin for running VASP calculations.

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 2 Parsers 3 Data 6 Workflows 12 Other (Console scripts, Cmdline data) 2

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wannier90: aiida-wannier90 package

AiiDA Plugin for Wannier90

Current state: stable

Plugin code homepage (hosted on github.com)

Documentation: Go to plugin documentation

Calculations 1 Parsers 1

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widgets: aiida-widgets package

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

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yambo: yambo-aiida package

YAMBO code Plugin for AiiDA

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Other (Console scripts) 4

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z2pack: aiida-z2pack package

Current state: registered

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

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zeopp: aiida-zeopp package

AiiDA plugin for zeo++

Current state: development

Plugin code homepage (hosted on github.com)

Documentation: Documentation not provided by the plugin author

Calculations 1 Parsers 1 Data 1 Workflows 1 Other (Console scripts) 1

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