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A collection of some useful Fortran modules on general purposes. Implementation of some common datastructures and algorithms, tools for common tasks, that kind of stuff.
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Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.
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Docker Images for building GR on various platforms.
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aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method
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Some utilities that simplify my daily work within aiida and aiida-kkr.
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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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Docker Images for building GR on various platforms.
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a collaborative formulary for generalised hypergeometric functions
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IffTeX-iffGit integration: Example & Test
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UNIFIT is a highly flexible program for fitting theories to experimental data.
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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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Nodes to be shared in IAS-1
