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Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.

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

https://iffmd.fz-juelich.de/RhXA4J_JTwebjYKG35TbuQ#

SPEX documentation

SPEX documentation

SPEX documentation

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

This are the Torch models from CAM originated from Giacomo Pedretti

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