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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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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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Working of kkr_combine_imps_wc , CPA calculation and ML that includes:
kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approach -
Nodes to be shared in IAS-1
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Some utilities that simplify my daily work within aiida and aiida-kkr.
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Active particles in disordered media code in C++
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Version of candi to build deal.ii on JURECA
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Tool for synching config files between several hosts. It manages differences between systems with Git branches.
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Repository containing utilities for creating documentations.
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Repository containing utilities for creating documentations.
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Repository containing utilities for creating documentations.
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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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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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IffTeX-iffGit integration: Example & Test
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Convert Fortran modules to C-headers. Taken over from https://github.com/sharifmarat/fortran_to_c_headers
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