Published August 31, 2020
| Version v2.5
Software
Open
brucefan1983/GPUMD: GPUMD-v2.5
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.infile by removing thehas_layeritem in the first line. - Changed the grammar of the
potentialkeyword and removed thepotentialskeyword. - Added the
minimizekeyword. - Changed the grammar of the
compute_shckeyword. - Enriched the features of the
compute_doskeyword. - Added support for dumping the
netCDFfile. - Added support for Windows with MSVC.
Files
brucefan1983/GPUMD-v2.5.zip
Files
(16.8 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:d81c9320c39fc211b99ba228d608d108
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16.8 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/brucefan1983/GPUMD/tree/v2.5 (URL)