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

Nodes to be shared in IAS-1

Version of candi to build deal.ii on JURECA

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

Tool for synching config files between several hosts. It manages differences between systems with Git branches.

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.

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

Docker Images for building GR on various platforms.

Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).