AiiDA plugin registry

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Registered plugin packages: 48

Calculations 96 plugins in 38 packages Parsers 84 plugins in 38 packages Data 63 plugins in 22 packages Workflows 79 plugins in 19 packages OtherCmdline computer configure, Console scripts, Data commands, ... 111 plugins in 22 packages

Plugin packages (alphabetical order)

alloy: aiida-alloy package

 

AiiDA plugin for studying alloys

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Calculations 1 Parsers 1 Data 1 Other (Console scripts, Data commands) 9

ase: aiida-ase package

 

The official AiiDA plugin for ASE

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Calculations 1 Parsers 1

bands-inspect: aiida-bands-inspect package

 

AiiDA Plugin for running bands_inspect

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Calculations 3 Parsers 4

bigdft: aiida-bigdft package

 

Aiida plugin for BigDFT code

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Calculations 1 Parsers 1 Data 2 Other (Data commands) 1

castep: aiida-castep package

 

AiiDA plugin for CASTEP

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Calculations 6 Parsers 2 Data 2 Workflows 3 Other (Console scripts, Data commands, Tests, ...) 9

ce: aiida-ce package

 

AiiDA plugin for running cluster expansion using icet.

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Calculations 3 Parsers 3 Data 3 Other (Data commands) 1

codtools: aiida-codtools package

 

The official AiiDA plugin for cod-tools

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Calculations 9 Parsers 6 Workflows 1 Other (Console scripts) 1

core: aiida-core package

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Calculations 2 Parsers 2 Data 22 Other (Cmdline computer configure, Console scripts, Data commands, ...) 39

cp2k: aiida-cp2k package

 

The CP2K plugin for the AiiDA workflow and provenance engine.

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Calculations 1 Parsers 3 Workflows 2

crystal-dft: aiida-crystal-dft package

 

Yet another AiiDA plugin for CRYSTAL code, mainly intended for use with the cloud infrastructures (currently, MPDS)

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Calculations 3 Parsers 2 Data 2 Workflows 1 Other (Data commands) 1

crystal17: aiida-crystal17 package

 

AiiDA plugin for running the CRYSTAL17 code

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Calculations 8 Parsers 7 Data 6 Workflows 3 Other (Console scripts, Data commands, Gulp potentials) 9

ddec: aiida-ddec package

 

AiiDA plugin DDEC code

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Calculations 1 Parsers 1 Workflows 1

diff: aiida-diff package

 

AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.

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Calculations 1 Parsers 1 Data 1 Other (Data commands) 1

fleur: aiida-fleur package

 

Python FLEUR simulation package containing an AiiDA Plugin for running the FLEUR-code and its input generator. Plus some workflows and utility

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Calculations 2 Parsers 2 Data 2 Workflows 16

gaussian: aiida-gaussian package

 

AiiDA plugin for the Gaussian quantum chemistry software

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Calculations 3 Parsers 1

gaussian-datatypes: aiida-gaussian-datatypes package

 

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

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Data 2 Other (Data commands) 2

gollum: aiida-gollum package

 

A plugin for Gollum functionality within AiiDA framework.

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Calculations 1 Parsers 1

graphql: aiida-graphql package

 

Strawberry-based GraphQL API Server for AiiDA

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gudhi: aiida-gudhi package

 

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

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Calculations 1 Parsers 1 Data 1

gulp: aiida-gulp package

 

AiiDA plugin for running the GULP MD code

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Calculations 3 Parsers 3 Data 2 Other (Console scripts, Data commands, Gulp potentials) 4

kkr: aiida-kkr package

 

AiiDA plugin for the KKR code

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

lammps: aiida-lammps package

 

AiiDA plugin for LAMMPS

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Calculations 5 Parsers 4 Data 1 Other (Lammps potentials) 4

nwchem: aiida-nwchem package

 

The official AiiDA plugin for NWChem

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

optimize: aiida-optimize package

 

AiiDA Plugin for running optimization algorithms.

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Workflows 3

orca: aiida-orca package

 

AiiDA plugin for ORCA code

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Calculations 1 Parsers 1

phonopy: aiida-phonopy package

 

AiiDA plugin for running phonon calculations using phonopy

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Calculations 1 Parsers 1 Workflows 2

phtools: aiida-phtools package

 

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

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Calculations 2 Parsers 2 Data 1

plumed: aiida-plumed package

 

AiiDA plugin providing support for Plumed2

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Calculations 1 Parsers 1 Data 1 Other (Data commands) 1

porousmaterials: aiida-porousmaterials package

 

AiiDA plugin for PorousMaterials code

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Calculations 1 Parsers 1

qeq: aiida-qeq package

 

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

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Calculations 2 Parsers 2 Data 2

quantumespresso: aiida-quantumespresso package

 

The official AiiDA plugin for Quantum ESPRESSO

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

quantumespresso-hp: aiida-quantumespresso-hp package

 

The AiiDA plugin for the Hubbard module of Quantum ESPRESSO

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

raspa: aiida-raspa package

 

AiiDA plugin for RASPA code

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Calculations 1 Parsers 1 Workflows 1

siesta: aiida-siesta package

 

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

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Calculations 2 Parsers 2 Data 2 Workflows 3 Other (Data commands) 2

spex: aiida-spex package

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strain: aiida-strain package

AiiDA Plugin for applying strain to structures

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Workflows 2

symmetry-representation: aiida-symmetry-representation package

 

AiiDA Plugin for symmetry representations.

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Calculations 1 Parsers 1

tbextraction: aiida-tbextraction package

 

AiiDA Plugin for extracting tight-binding models

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Workflows 10

tbmodels: aiida-tbmodels package

 

AiiDA Plugin for running TBmodels

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Calculations 4 Parsers 1

tcod: aiida-tcod package

 

AiiDA plugin to interact with the TCOD

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Other (Tools dbexporters) 1

uppasd: aiida-uppasd package

 

AiiDA plugin for the atomistic spin dynamics code UppASD

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Calculations 1 Parsers 1 Data 1 Other (Data commands) 1

vasp: aiida-vasp package

 

AiiDA Plugin for running VASP calculations.

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Calculations 2 Parsers 3 Data 6 Workflows 8 Other (Console scripts, Data commands) 2

wannier90: aiida-wannier90 package

 

AiiDA Plugin for the Wannier90 code

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Calculations 1 Parsers 1 Workflows 1

wannier90-workflows: aiida-wannier90-workflows package

 

Advanced AiiDA workflows for Wannier90

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Workflows 2

widgets: aiidalab-widgets-base package

 

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yambo: aiida-yambo package

 

YAMBO plugin and workflows for AiiDA

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Calculations 1 Parsers 1

z2pack: aiida-z2pack package

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zeopp: aiida-zeopp package

 

AiiDA plugin for zeo++

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