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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

SPEX documentation

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.

Entangle server for detector of SAPHiR (and maybe POWTEX) instrument

Docker Images for building GR on various platforms.

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

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-11. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Working of kkr_combine_imps_wc , CPA calculation and ML that includes:

kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approach

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/