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Updated 6 months ago

aiida-spirit • Rank 7.4 • Science 77%

AiiDA plugin for the spirit code

aiida condensed-matter-physics exchange-interaction forschungszentrum-juelich heisenberg-model hpc judft magnetism materials-science spin-dynamics spintronics workflow
Updated 6 months ago

masci-tools • Rank 13.5 • Science 59%

Post-processing toolkit for electronic structure calculations

band-structure computational-materials-science density-functional-theory density-of-states electronic-structure forschungszentrum-juelich high-throughput judft materials-informatics parsing toolkit utility visualization
Updated 6 months ago

aiida-kkr • Rank 13.1 • Science 59%

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

ab-initio aiida all-electron band-structure coherent-potential-approximation computational-materials-science condensed-matter-physics defects density-functional-theory electronic-structure forschungszentrum-juelich full-potential greens-functions high-throughput judft kkr magnetism multiple-scattering superconductivity workflow
Updated 6 months ago

https://github.com/judftteam/aiida-fleur • Rank 12.4 • Science 46%

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

ab-initio aiida all-electron band-structure computational-materials-science condensed-matter-physics density-functional-theory electronic-structure forschungszentrum-juelich full-potential high-throughput judft kohn-sham magnetism plane-wave spintronics workflow
Updated 6 months ago

aiida-jutools • Science 67%

Tools for simplifying daily work with the AiiDA workflow engine

aiida computational-materials-science computational-science data-science density-functional-theory dft forschungszentrum-juelich high-throughput judft materials-informatics materials-science pandas provenance toolkit utility workflow
Updated 6 months ago

fleur • Science 44%

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

ab-initio all-electron computational-materials-science computational-physics condensed-matter-physics density-functional-theory dft electronic-structure forschungszentrum-juelich full-potential hpc judft kohn-sham lapw magnetism materials-science plane-wave quantum-materials scientific-computing spintronics
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