AiiDA team (aiidateam)

AiiDA team

aiidateam

Geek Repo

The development team of AiiDA

Home Page:http://www.aiida.net

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AiiDA team's repositories

aiida-core

The official repository for the AiiDA code

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aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

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qe-tools

A set of useful tools for Quantum ESPRESSO

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aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.

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aiida-registry

Find plugins for AiiDA

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aiida-wannier90-workflows

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

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disk-objectstore

An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server

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aiida-plugin-cutter

Cookie cutter recipe for AiiDA plugins.

aiida-restapi

AiiDA Web API for data queries and workflow management.

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aiida-wannier90

AiiDA plugin for the Wannier90 code

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aiida-submission-controller

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time

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aiida-workgraph

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

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plumpy

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

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aiida-optimade

OPTIMADE RESTful API implementation for AiiDA

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aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.

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acwf-verification-scripts

Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification

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aiida-project

AiiDA project manager

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aiida-sssp-workflow

sssp verification workflows

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aiida-atomistic

AiiDA plugin which contains data and methods for atomistic simulations.

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aiida-diff

AiiDA demo plugin that computes the difference between two files.

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aiida-resource-registry

Resource registry for easy setup computer and code

aiida-firecrest

AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)

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aiida-qe-demo

A demonstration tutorial of using aiida-quantumespresso

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aiida-upgrade

A tool to aide upgrades of plugins to new aiida-core version

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aiida-website

The primary website for AiiDA

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aiida-statistics-query

Compute statistics of AiiDA databases

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pgsu

Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.

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