Published August 23, 2025
| Version v4.3
Software
Open
brucefan1983/GPUMD: GPUMD-v4.3
Authors/Creators
Authors/Creators
- Zheyong Fan
- XU Ke
- Hekai Bu
- psn417
- Eric Lindgren1
- Alexander J. Gabourie2
- hailan2005
- erhart1
- hfhuang
- Yifan Li李一帆
- tang070205
- Zihan Yan3
- Yanlong Li
- Jiahui Liu4
- shdchen
- Yanzhou Wang5
- Penghua Ying
- Bin Xu6
- Nan Xu
- liangzhixin-202169
- Liangting7
- surfactant80
- Yong-Chao Wu
- WenwuJiang
- YouQi8
- initqp
- XIX_YANG
- BohanZhang
- m0sey
- wang laosi
- 1. Chalmers University of Technology
- 2. @deepsiminc
- 3. Westlake University
- 4. USTB
- 5. Aalto University
- 6. Johns Hopkins University
- 7. The Chinese University of Hong Kong
- 8. 中国建筑科学研究院
Description
GPUMD-v4.3
New features:
- Added the Tersoff-ILP potential model: #1127 #1062
Bug fixes and improvements:
- Improved the minimizer slightly: #1068
- Improved the
compute_msdkeyword with multiple groups: #1087 #1085 - Fixed a bug for training NEP with multiple GPUs: #1098
- NEP-MD is sped up for the "small-box" case: #1122
Files
brucefan1983/GPUMD-v4.3.zip
Files
(28.8 MB)
| Name | Size | Download all |
|---|---|---|
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Additional details
Related works
- Is supplement to
- Software: https://github.com/brucefan1983/GPUMD/tree/v4.3 (URL)
Software
- Repository URL
- https://github.com/brucefan1983/GPUMD