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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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Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io
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containmentFOAM / containmentFOAM_OF6
GNU General Public License v3.0 onlyRelease 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.
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Florian Rhiem / test
MIT LicenseUpdated -
A collection of shell scripts and small python programms to help with the KKRnano program.
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Dieter Weber / 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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Ingo Meyer / shallow-appify
MIT LicenseUpdated -
empyre / 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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Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory
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Florian Feiler / LPL
MIT LicenseUpdated -
Dmitrii Nabok / fleur-qsgw
MIT LicenseUpdated -
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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Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.
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Teresa Weßels / 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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Reiner Zorn / UNIFIT
MIT LicenseUNIFIT is a highly flexible program for fitting theories to experimental data.
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