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

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.

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-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.

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

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

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