Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io
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.
Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory
aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method
Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.
UNIFIT is a highly flexible program for fitting theories to experimental data.