Registered plugin packages: 89
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-aenet
AiiDA plugin to construct machine-learning potentials using aenet
Calculations 6 Parsers 4 Data 2 Workflows 4 Other (Aenet potentials) 1
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 2 Parsers 1 Data 2 Workflows 4 Console scripts 1 Other (Data commands, Groups, Tests, ...) 5
aiida-catmap
AiiDA package that interfaces with Kinetic modelling code CatMAP
Calculations 1 Parsers 1
aiida-ce
AiiDA plugin for running cluster expansion using icet.
Calculations 3 Parsers 3 Data 3 Other (Data commands) 1
aiida-champ
AiiDA plugin that wraps the vmc executable of CHAMP code for computing the total energy and much more stuff.
Calculations 1 Parsers 1 Data 1 Other (Data commands) 1
aiida-codtools
The Official AiiDA plugin for the cod-tools package.
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 3 Parsers 2 Data 29 Workflows 2 Console scripts 2 Other (Calculations importers, Calculations monitors, Cmdline computer configure, ...) 47
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-cusp
Custodian based VASP Plugin for AiiDA
Calculations 1 Parsers 1 Data 11 Other (Data commands) 1
aiida-defects
AiiDA-Defects is a plugin for the AiiDA computational materials science framework, and provides tools and automated workflows for the study of defects in materials.
Data 1 Workflows 7
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-firecrest
AiiDA Transport/Scheduler plugins for interfacing with FirecREST.
Console scripts 1 Other (Schedulers, Transports) 2
aiida-fireworks-scheduler
AiiDA plugin to allow using `fireworks` as the execution engine for `CalcJob`.
Console scripts 1 Other (Data commands, Schedulers) 4
aiida-fleur
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities
Calculations 2 Parsers 2 Data 1 Workflows 19 Console scripts 1
aiida-flexpart
AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes).
Calculations 1 Parsers 1 Workflows 1
aiida-gaussian
AiiDA plugin for the Gaussian quantum chemistry software.
Calculations 3 Parsers 3 Workflows 2
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-gromacs
A plugin for using GROMACS with AiiDA for molecular dymanics simulations.
Calculations 7 Parsers 7 Data 6 Workflows 1
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-muon
aiida-muon is allows to find candiate muon implantation sites and hyperfine field by DFT supercell relaxations and from further symmetry and kinetics analysis.
Workflows 1
aiida-musconv
aiida-musconv is a plugin that allows to obtain converged supercell size for an interstitial impurity calculation.
Workflows 1
aiida-open_circuit_voltage
The AiiDA plugin to calculate ocv at various charge of states using QE
Workflows 1
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-pseudo
AiiDA plugin that simplifies working with pseudo potentials.
Data 7 Console scripts 1 Other (Groups) 4
aiida-pyscf
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
Calculations 1 Parsers 1 Workflows 1
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 19 Parsers 13 Data 2 Workflows 11 Console scripts 1 Other (Tools calculations, Tools data orbitals) 3
aiida-quantumespresso-hp
The AiiDA plugin for the Hubbard module of Quantum ESPRESSO
Calculations 1 Parsers 1 Workflows 4 Console scripts 4
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-vasp
AiiDA Plugin for running VASP calculations.
Calculations 4 Parsers 3 Data 5 Workflows 8 Console scripts 2 Other (Data commands, Groups) 2
aiida-yambo-wannier90
Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo
Calculations 1 Parsers 1 Workflows 1 Console scripts 1
aiida-yascheduler
Yet another computing scheduler and cloud orchestration engine
Console scripts 6 Other (Schedulers) 1