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1 change: 1 addition & 0 deletions README.md
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Expand Up @@ -44,3 +44,4 @@ This repo contains various tutorials and examples using the [GPUMD package](http
| [30_Elastic_constants__strain_fluctuation_method](examples/30_Elastic_constants__strain_fluctuation_method) | Penghua Ying | Elastic constants using strain-fluctuation method. |
| [31_Nanoribbon_friction](examples/31_Nanoribbon_friction) | Wenwu Jiang | Friction simulation for _h_-bn nanoribbon. |
| [32_DOAS_and_AEDP](examples/32_DOAS_and_AEDP) | Zihan Yan | Density of Atomistic States (DOAS) and Atomistic Energy Distribution Plots (AEDP) |
| [33_deposit(Built-in Command)](examples/33_deposit) | Benrui Tang | Deposition or Formation of Ga and O Atoms on the Surface of Amorphous GaO |
80 changes: 80 additions & 0 deletions examples/33_deposit_GaO/add_Ga_O.txt
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