GPUMD-v2.5
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 thehas_layer
item in the first line. - Changed the grammar of the
potential
keyword and removed thepotentials
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.