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C

condensed matter physics

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materials-modeling / calorine

A python tool box for GPUMD simulations

hiphive gpumd force constants
+ 10 more

14

Updated Dec 16, 2024

14 4 0 5

Updated Dec 16, 2024
materials-modeling / icet

A Pythonic approach to cluster expansions

cluster expa... thermodynamics alloys
+ 7 more

33

Updated Dec 05, 2024

33 19 1 6

Updated Dec 05, 2024