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Alexander Clausen / wsgidav
MIT LicenseUpdated -
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Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io
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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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Johannes Wasmer / aiida-kkr-ml
MIT Licenseaiida-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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Dmitrii Nabok / fleur-qsgw
MIT LicenseUpdated -
containmentFOAM / cfFramework_release
GNU General Public License v3.0 onlyRelease version of a Java based GUI for case creation and SolutionMonitor for containmentFoam
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Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory
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Henning Janssen / fleur
MIT LicenseUpdated -
Matthew Bryan / empyre
GNU General Public License v3.0 onlyElectron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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Literature review on machine learning density functional theory (ML-DFT) and related topics
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Code for generation & analysis of an AiiDA database of double transition metal impurity embeddings into the topological insulator Bi2Te3.
Fork of https://iffgit.fz-juelich.de/mozumder/Master_Thesis_Mozumder .
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containmentFOAM / containmentFOAM_release9
GNU General Public License v3.0 onlyRelease 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.
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Florian Feiler / LPL
MIT LicenseUpdated -
qtisas / qtisas
GNU General Public License v3.0 onlyUpdated -
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Workthrough by Johannes Wasmer of tutorial. Davis David. How to Write Configuration Files in Your Machine Learning Project. Medium. 2020.
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