There is a newer version of the record available.

Published August 31, 2020 | Version v2.5

brucefan1983/GPUMD: GPUMD-v2.5

Authors/Creators

  • 1. Varian Medical Systems Finland Oy

Description

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.

Files

brucefan1983/GPUMD-v2.5.zip

Files (16.8 MB)

Name Size Download all
md5:d81c9320c39fc211b99ba228d608d108
16.8 MB Preview Download

Additional details

Related works