Top Repositories
A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)
Proof of concept of a way to easily browse AiiDA nodes through an interactive, customisable shell with tab completion
AiiDA common workflow (ACWF) to compute magnetic couplings using the four-state method
A collection of jupyter notebooks for quantum mechanics tutorials.
Official repository of the Wannier90 code
Dockerfile for a basic emulation of a computer with Torque scheduler and SSH
Repositories
46A collection of jupyter notebooks for quantum mechanics tutorials.
AiiDA common workflow (ACWF) to compute magnetic couplings using the four-state method
No description provided.
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
No description provided.
No description provided.
AiiDA plugin that makes running shell commands easy.
A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)
Specification of a common REST API for access to materials databases
No description provided.
Official repository of the Wannier90 code
No description provided.
Proof of concept of a way to easily browse AiiDA nodes through an interactive, customisable shell with tab completion
A simple mock-up of a possible new implementation of the AiiDA repository, leveraging the disk-objectstore package
AiiDA plugin for the phonopy code (phonons from finite differences)
Dockerfile for a basic emulation of a computer with Torque scheduler and SSH
A modern and easy to use streamable zip file generator
Conveniently connect to Cisco AnyConnect or OpenVPN endpoints using a docker container
Experimental registry for aiida plugins
Scripts to facilitate the common-workflow project on oxides
Debugging race problems when opening a file that is being deleted (on Mac OS)
AiiDA plugin for the HyperQueue metascheduler.
AiiDA enhancement proposals
An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
No description provided.
No description provided.
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
Registry for BIG-MAP apps and codes.
The official AiiDA plugin for Quantum ESPRESSO
Stand-alone plugin files