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Single crystal diffraction data reduction  work in progress. Formerly NSXTool.
Updated 
Fork of https://iffgit.fzjuelich.de/mozumder/Master_Thesis_Mozumder .
About the fork origin:
These notebooks accompany the data for mozumder's master thesis "Design of magnetic interactions in doped topological insulators", 202204. The data, in the version used for the master thesis submission, is now available on /Data/ias1/wasmer/import/220412_mozumder_masterthesis.
About the fork:
This fork is about picking up the work where mozumder left off. Specifically, about ML prediction of the Jij interaction (ultimate chapter in his thesis).
What follows is the orignal repository description.
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 approachUpdated 
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aiidakkrml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the KorringaKohnRostoker method
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Workthrough of aiidakkr tutorials at https://aiidakkr.readthedocs.io
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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 approachUpdated 
Computational model to study tissue growth  focusing on the homeostatic pressure  with the least amount of complexity possible.
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aiidakkrml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the KorringaKohnRostoker method
Updated 
Updated