The official repository for the AiiDA code
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Updated
May 3, 2024 - Python
The official repository for the AiiDA code
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
A plugin to AiiDA for running simulations with VASP
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
A Jupyter widget to plot bandstructure and density of states.
Interface with AiiDA to automate CASTEP calculations and preserve their provenance.
Tools for simplifying daily work with the AiiDA workflow engine
Design flexible node-based workflows using AiiDA
AiiDA data plugin for pandas DataFrame objects
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