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nomad-lab / nomad-FAIR
Apache License 2.0This project comprises all infrastructure related source-code, integrates all necessary parsers and auxiliary projects, and contains the necessary deployment and operation scripts of the current consolidated NOMAD repository and archive.
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Binder-compatible repository for the MPCDF Python for HPC course.
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Daniel Boeckenhoff / w7x
MIT LicenseThe w7x package is a simulation framework that defines interfaces for simulation codes with interchangeable backends, computation pipelines in a directed acyclic graph that communicate via a central state.
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ift / NIFTy
GNU General Public License v3.0 onlyUpdated -
elpa / elpa
OtherEigenvalue Solvers for Petaflop Apllications (ELPA), please see elpa.mpcdf.mpg.de
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mpcdf / training / CMake Recipes
MIT LicenseUpdated -
struphy / struphy
MIT LicenseSTRUcture-Preserving HYbrid codes - a Python package for energetic particles in plasma.
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gvec-group / gvec_to_python
MIT LicenseUpdated -
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Working area for the Area A to develop metadata information for synthesis.
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Tobias Melson / frss
OtherLibrary for printing the current and maximum resident set size of a Fortran, C, or C++ MPI application
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An implementation of the presented framework in an article in J. Chem. Phys. 2023 (accepted DOI: 10.1063/5.0160369), Manuscript title: A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules.
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Inventory and provisioning for EDD Deployment @ SKAMPI
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TCV-X21 / TCV-X21_development_version
MIT LicenseAn open dataset for validating edge/divertor turbulence simulations
See https://github.com/SPCData/TCV-X21 for the released version of the repository
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