JuDFTteam

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1. FLEURFLEURPublic

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

   Fortran 20 2

2. JuKKRJuKKRPublic

   Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)

   Fortran 13 4

3. aiida-fleuraiida-fleurPublic

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

   Python 15 10

4. aiida-kkraiida-kkrPublic

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

   Python 16 10

5. masci-toolsmasci-toolsPublic

   Post-processing toolkit for electronic structure calculations

   Python 18 11

6. best-of-atomistic-machine-learningbest-of-atomistic-machine-learningPublic

   🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

   712 71