[View on GitHub/register your package]

Registered plugin packages: 58

Calculations 102 plugins in 39 packages Parsers 85 plugins in 40 packages Data 79 plugins in 25 packages Workflows 91 plugins in 26 packages Console scripts 18 plugins in 13 packages OtherCmdline computer configure, Data commands, Database Exporters, ... 101 plugins in 26 packages

Package list (alphabetical order)

aiida-QECpWorkChain

 

Car-Parrinello Work Chain with Quantum Espresso. This workchain does a full CP simulation, from the choice of the electronic mass and the timestep, to the choice of the best parallelization options, and then it does the NPT equilibration and a final NVE simulation at the prescribed P and T. Automates as much as possible.

Workflows 1

aiida-abinit

 

The AiiDA plugin for ABINIT.

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

aiida-cusp

 

Custodian based VASP Plugin for AiiDA

Calculations 1 Parsers 1 Data 11 Other (Data commands) 1

aiida-metavo-scheduler

 

Other (Cmdline computer configure, Schedulers, Transports) 3

aiida-alloy

 

Aiida Workflows for Elastic Constants using Quantum Espresso

Workflows 1

aiida-ase

 

The official AiiDA plugin for ASE

Calculations 1 Parsers 1

aiida-bands-inspect

 

AiiDA Plugin for running bands_inspect

Calculations 3 Parsers 4

aiida-bigdft

 

Aiida plugin for BigDFT code

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

aiida-castep

 

AiiDA plugin for CASTEP

Calculations 6 Parsers 2 Data 2 Workflows 3 Console scripts 1 Other (Data commands, Tests, Tools calculations) 8

aiida-ce

 

AiiDA plugin for running cluster expansion using icet.

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

aiida-codtools

 

The official AiiDA plugin for cod-tools

Calculations 9 Parsers 6 Workflows 1 Console scripts 1

aiida-core

AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.

Calculations 2 Parsers 2 Data 22 Workflows 2 Console scripts 2 Other (Cmdline computer configure, Data commands, Database Importers, ...) 42

aiida-cp2k

 

The official AiiDA plugin for CP2K.

Calculations 1 Parsers 2 Workflows 1

aiida-crystal-dft

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

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

aiida-crystal17

 

AiiDA plugin for running the CRYSTAL17 code

Calculations 6 Parsers 5 Data 5 Workflows 3 Console scripts 2 Other (Data commands, Groups) 4

aiida-ddec

 

AiiDA plugin DDEC code

Calculations 1 Parsers 1 Workflows 1

aiida-diff

 

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

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

aiida-fireworks-scheduler

AiiDA plugin to allow using `fireworks` as the execution engine for `CalcJob`.

Console scripts 1 Other (Data commands, Schedulers) 2

aiida-fleur

 

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

Calculations 2 Parsers 2 Data 2 Workflows 16

aiida-gaussian

 

AiiDA plugin for the Gaussian quantum chemistry software

Calculations 3 Parsers 2 Workflows 1

aiida-gaussian-datatypes

 

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

Data 2 Other (Data commands, Groups) 4

aiida-gollum

 

A plugin for Gollum functionality within AiiDA framework.

Calculations 1 Parsers 1

aiida-graphql

 

Strawberry-based GraphQL API Server for AiiDA

aiida-gudhi

 

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

Calculations 1 Parsers 1 Data 1

aiida-gulp

 

AiiDA plugin for running the GULP MD code

Calculations 3 Parsers 3 Data 2 Console scripts 1 Other (Data commands, Gulp potentials) 3

aiida-kkr

 

AiiDA plugin for the KKR code

Calculations 4 Parsers 4 Data 1 Workflows 10 Console scripts 1

aiida-lammps

 

AiiDA plugin for LAMMPS

Calculations 6 Parsers 5 Data 2 Other (Lammps potentials) 4

aiida-nanotech-empa

 

AiiDA plugins and work chains developed at nanotech@surfaces group from Empa.

Parsers 1 Workflows 1 Other (Data commands) 1

aiida-nims-scheduler

 

NIMS supercomputer scheduler

Other (Schedulers) 1

aiida-nwchem

 

The official AiiDA plugin for NWChem

Calculations 2 Parsers 3 Other (Tests, Tools dbexporters tcod plugins) 2

aiida-optimize

 

AiiDA Plugin for running optimization algorithms.

Workflows 3

aiida-orca

 

AiiDA plugin for ORCA code

Calculations 2 Parsers 1

aiida-phonopy

 

AiiDA plugin for running phonon calculations using phonopy

Calculations 1 Parsers 1 Workflows 3

aiida-phtools

 

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

Calculations 2 Parsers 2 Data 1

aiida-plumed

 

AiiDA plugin providing support for Plumed2

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

aiida-porousmaterials

 

AiiDA plugin for PorousMaterials code

Calculations 1 Parsers 1

aiida-pseudo

 

AiiDA plugin that simplifies working with pseudo potentials

Data 5 Console scripts 1 Other (Groups) 6

aiida-qeq

 

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

Calculations 2 Parsers 2 Data 2

aiida-quantumespresso

 

The official AiiDA plugin for Quantum ESPRESSO

Calculations 16 Parsers 11 Data 1 Workflows 7 Console scripts 1 Other (Tools calculations, Tools data orbitals, Tools dbexporters tcod plugins) 5

aiida-quantumespresso-hp

 

The AiiDA plugin for the Hubbard module of Quantum ESPRESSO

Calculations 1 Parsers 1 Workflows 4 Console scripts 4

aiida-raspa

 

AiiDA plugin for RASPA code

Calculations 1 Parsers 1 Workflows 1

aiida-siesta

 

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

Calculations 2 Parsers 2 Data 2 Workflows 7 Other (Data commands, Groups) 4

aiida-spex

aiida-sshonly

 

AiiDA plugin adding a sshonly transport option, using only SSH to transfer files, avoiding SFTP, in case it's blocked or non functional on a remote system

Other (Transports) 1

aiida-sssp

 

AiiDA plugin for the Standard Solid State Pseudopotential (SSSP) library

Data 1 Console scripts 1 Other (Groups) 1

aiida-strain

AiiDA Plugin for applying strain to structures

Workflows 2

aiida-symmetry-representation

 

AiiDA Plugin for symmetry representations.

Calculations 1 Parsers 1

aiida-tbextraction

 

AiiDA Plugin for extracting tight-binding models

Workflows 10

aiida-tbmodels

 

AiiDA Plugin for running TBmodels

Calculations 4 Parsers 1

aiida-tcod

 

AiiDA plugin to interact with the TCOD

Other (Database Exporters) 1

aiida-uppasd

 

AiiDA plugin for the atomistic spin dynamics code UppASD

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

aiida-vasp

 

AiiDA Plugin for running VASP calculations.

Calculations 2 Parsers 2 Data 5 Workflows 6 Console scripts 1 Other (Data commands) 1

aiida-wannier90

 

AiiDA Plugin for the Wannier90 code

Calculations 1 Parsers 1 Workflows 1

aiida-wannier90-workflows

 

Advanced AiiDA workflows for Wannier90

Workflows 2

aiidalab-widgets-base

 

aiida-yambo

 

YAMBO plugin and workflows for AiiDA

Calculations 1 Parsers 1

aiida-z2pack

aiida-zeopp

 

AiiDA plugin for zeo++

Calculations 1 Parsers 1 Data 1 Console scripts 1