giovannipizzi

seekpath

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

SchrPoisson-2DMaterials

A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)

aiida-node-shell

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

concurrent-delete-race-problem

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

torquessh_base-docker

Dockerfile for a basic emulation of a computer with Torque scheduler and SSH

wannier90

Official repository of the Wannier90 code

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-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

big-map-registry

Registry for BIG-MAP apps and codes.

click

Python composable command line utility

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

OPTIMADE

Specification of a common REST API for access to materials databases

push-pull-proof-of-concept

quantum-mechanics

A collection of jupyter notebooks for quantum mechanics tutorials.

reentry

A Plugin Manager that acts as a drop-in replacement for pkg_resources in cases where distribution integrity checks can reasonably be traded for speed

w90-docs

wannier90io-python

widget-code-input

A jupyter widget to allow input of a python function, with syntax highlighting

zipstream-ng

A modern and easy to use streamable zip file generator