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Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-6. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

A collection of shell scripts and small python programms to help with the KKRnano program.

Docker Images for building GR on various platforms.

Nodes to be shared in IAS-1

This are the Torch models from CAM originated from Giacomo Pedretti

UNIFIT is a highly flexible program for fitting theories to experimental data.

Release version of a Java based GUI for case creation and SolutionMonitor for containmentFoam

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.