Original example scripts and figures: Yuansuan Technology, 2026, MIT.
GPUMD 5.9.1 and GPUMDkit 1.5.8 are used through their installed commands. Upstream licenses are retained in LICENSES; no executable is included.
Si Tersoff and Si NEP files are reused from the published GPUMD/GPUMDkit teaching packages with their upstream source licenses. The new ZnS qNEP is a tiny teaching fit, not a production potential.
DFT logs and safe inputs are included. VASP software, POTCAR and wavefunction files are excluded; your own authorized PAW datasets are required for DFT recomputation.
