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GPUMD-v2.5

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@brucefan1983 brucefan1983 released this 31 Aug 10:08
· 2319 commits to master since this release

Major changes compared to GPUMD-v2.4.1:

  • Added the Tersoff-mini potential.
  • Added the FCP potential.
  • Added two modal analysis methods (GKMA and HNEMA).
  • Changed the data format in the xyz.in file by removing the has_layer item in the first line.
  • Changed the grammar of the potential keyword and removed the potentials keyword.
  • Added the minimize keyword.
  • Changed the grammar of the compute_shc keyword.
  • Enriched the features of the compute_dos keyword.
  • Added support for dumping the netCDF file.
  • Added support for Windows with MSVC.