There is a newer version of the record available.

Published May 21, 2022 | Version v3.3.1
Software Open

brucefan1983/GPUMD: GPUMD-v3.3.1

Creators

  • 1. Varian Medical Systems Finland Oy
  • 2. Stanford University
  • 3. Chalmers University of Technology
  • 4. The Chinese University of Hong Kong
  • 5. Aalto University
  • 6. Hunan university

Description

  • Fixed a bug for velocity initialization in linear-chain systems.
  • Added off-diagonal pressure components to thermo.out
  • Changed to use the Voigt notation related to the ensemble npt_ber, ensemble npt_scr and change_box commands.

Files

brucefan1983/GPUMD-v3.3.1.zip

Files (35.4 MB)

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md5:c9d5822a16e813e99594a3b995a090ba
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Additional details

Related works

Is supplement to
https://github.com/brucefan1983/GPUMD/tree/v3.3.1 (URL)