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Standardize copyright information & Code batch format script
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brucefan1983 authored Sep 3, 2024
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47 changes: 4 additions & 43 deletions README.md
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# `GPUMD`

Copyright (2017) Zheyong Fan.
This is the GPUMD software package.
This software is distributed under the GNU General Public License (GPL) version 3.

## What is `GPUMD`?

* `GPUMD` stands for Graphics Processing Units Molecular Dynamics.
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* Latest released version: https://gpumd.org/
* Development version: https://gpumd.org/dev/

## Mailing list:
* You can use the following link to subscribe and unsubscribe the mailing list:
https://www.freelists.org/list/gpumd

* To post a question, you can send an email to gpumd(at)freelists.org

* Here is the archive (public): https://www.freelists.org/archive/gpumd/

## Python packages related to GPUMD and/or NEP:

| Package | link | comment |
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| `pynep` | https://github.com/bigd4/PyNEP | `PyNEP` is a python interface of the machine learning potential NEP used in GPUMD. |
| `somd` | https://github.com/initqp/somd | `SOMD` is an ab-initio molecular dynamics (AIMD) package designed for the SIESTA DFT code. The SOMD code provides some common functionalities to perform standard Born-Oppenheimer molecular dynamics (BOMD) simulations, and contains a simple wrapper to the Neuroevolution Potential (NEP) package. The SOMD code may be used to automatically build NEPs by the mean of the active-learning methodology. |



## Authors:

* Before the first release, GPUMD was developed by Zheyong Fan, with help from Ville Vierimaa (Previously Aalto University) and Mikko Ervasti (Previously Aalto University) and supervision from Ari Harju (Previously Aalto University).
* Below is the full list of contributors starting from the first release.

| Name | contact |
| --------------------- | --------------------------------- |
| Zheyong Fan | https://github.com/brucefan1983 |
| Alexander J. Gabourie | https://github.com/AlexGabourie |
| Ke Xu | https://github.com/Kick-H |
| Ting Liang | https://github.com/Tingliangstu |
| Jiahui Liu | https://github.com/Jonsnow-willow |
| Penghua Ying | https://github.com/hityingph |
| Real Name ? | https://github.com/Lazemare |
| Jintu Zhang | https://github.com/initqp |
| Yanzhou Wang | https://github.com/Yanzhou-Wang |
| Rui Zhao | https://github.com/grtheaory |
| Eric Lindgren | https://github.com/elindgren |
| Junjie Wang | https://github.com/bigd4 |
| Yong Wang | https://github.com/AmbroseWong |
| Zhixin Liang | https://github.com/liangzhixin-202169 |
| Paul Erhart | https://materialsmodeling.org/ |
| Nan Xu | https://github.com/tamaswells |
| Shunda Chen | https://github.com/shdchen |
| Jiuyang Shi | https://github.com/XIX-YANG |
| Nicklas Österbacka | https://github.com/NicklasOsterbacka |
| Shuning Pan | https://github.com/psn417 |
| Haikuan Dong | https://github.com/hailan2005 |
| Zihan Yan | https://github.com/zhyan0603 |
| Yongchao Wu | https://github.com/mushroomfire |
| Yanlong Li | https://github.com/DragonPara |
| Qi You | https://github.com/YouQixiaowu |

## Citations

| Reference | cite for what? |
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find . -name "*.cpp" -o -name "*.hpp" -o -name "*.h" -o -name "*.cu" -o -name "*.cuh" | xargs "/C/Program Files/Microsoft Visual Studio/2022/Community/VC/Tools/Llvm/x64/bin/clang-format.exe" -i

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