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Published September 18, 2022 | Version v3.4.1

brucefan1983/GPUMD: GPUMD-v3.4.1

Description

  • 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.

Files

brucefan1983/GPUMD-v3.4.1.zip

Files (26.2 MB)

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