brucefan1983/GPUMD: GPUMD-v3.4.1
- Zheyong Fan
- Alexander J. Gabourie
- Xu Ke
- Lazemare
- Eric Lindgren
- Penghua Ying
- liangzhixin-202169
- AmbroseWong
- Yanzhou Wang
- Jonsnow-willow
- wang laosi
- Liangting
- erhart1
- Rui Zhao
Publication date
September 2022
DOIAbstract
Fixed a small bug for the multi-GPU version of NEP about partition direction. #270 Fixed a small bug for variable time step. #271 Fixed the heat current for small-box MD with NEP #274 Moved NEP_CPU to a separate repo (https://github.com/brucefan1983/NEP_CPU), where a NEP-LAMMPS interface is also created
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