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Docker Images for building GR on various platforms.

SPEX documentation

A collection of shell scripts and small python programms to help with the KKRnano program.

HDS-LEE discussion group on MLOps, September 2022.

Release 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.

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

Computational model to study tissue growth - focusing on the homeostatic pressure - with the least amount of complexity possible.

Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory

Repository holding the test files from releases of Fleur

Tool for synching config files between several hosts. It manages differences between systems with Git branches.

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

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.

Docker Images for building GR on various platforms.