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GPUMD-v2.2
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@brucefan1983 brucefan1983 released this 18 Jan 23:25
· 3653 commits to master since this release
v2.2
3266208
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Learn about vigilant mode.
  1. Improved the code structure and fixed a few memory bugs introduced in versions 2.0 and 2.1.
  2. Changed the data format in the xyz.in file and removed the layer.in file.
  3. Changed the output of the dump_position command from xyz.out to move.xyz.
  4. Added a dump_restart command which can produce a restart.out file.
  5. The "compute_temp" command has been replaced by the more general "compute" command.
  6. Added the "deform" command, which can be used to compute the stress-strain relation.
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