Topic: "machine-learned-potential"
SPARC-X/SPARC
Simulation Package for Ab-initio Real-space Calculations
Language: C - Size: 53.8 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 78 - Forks: 39

brucefan1983/NEP_CPU
CPU version of NEP
Language: C++ - Size: 998 KB - Last synced at: 27 days ago - Pushed at: 28 days ago - Stars: 60 - Forks: 20

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