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acwf-verification-scripts

Scripts to facilitate the common-workflow project on oxides

aep

AiiDA enhancement proposals

aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins

aiida-core

aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.

aiida-lammps

LAMMPS plugin for AiiDA

aiida-node-shell

Proof of concept of a way to easily browse AiiDA nodes through an interactive, customisable shell with tab completion

aiida-phonopy-old

AiiDA plugin for the phonopy code (phonons from finite differences)

aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

aiida-registry

Experimental registry for aiida plugins

aiida-repository-proof-of-concept

A simple mock-up of a possible new implementation of the AiiDA repository, leveraging the disk-objectstore package

aiida-shell

AiiDA plugin that makes running shell commands easy.

aiida-singledocs

Single page or other short miscelaneous documentation

aiida-sshonly

aiida-statistics-query

Compute statistics of AiiDA databases

aiida-tutorials

AiiDA tutorials web site

aiida-wannier90

AiiDA plugin for the Wannier90 code

aiida_docker_compose

Some examples of docker-compose configurations to start automatically AiiDA and all related services.

aiida_siesta_plugin

Stand-alone plugin files

appmode

big-map-registry

Registry for BIG-MAP apps and codes.

click

Python composable command line utility

concurrent-delete-race-problem

Debugging race problems when opening a file that is being deleted (on Mac OS)

disk-objectstore

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

docker-vpn

Conveniently connect to Cisco AnyConnect or OpenVPN endpoints using a docker container

educational-scientific-visualizations

A collection of interactive visualizations for educational purposes

optimade

Specification of a common REST API for access to materials databases

providers

This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network

push-pull-proof-of-concept

quantum-mechanics

A collection of jupyter notebooks for quantum mechanics tutorials.