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

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/

Literature review on machine learning density functional theory (ML-DFT) and related topics

(Submodule of main) PhD project, public notes.

Python-based command line tool with Fortran routines for global optimization of atomistic arrangement problems by Couolmb energy.

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

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