Skip to content

GPUMD-v2.9.1
Compare
Choose a tag to compare
@brucefan1983 brucefan1983 released this 24 Dec 22:18
· 2148 commits to master since this release
v2.9.1
26bb475
  • The convergence speed of NEP training has been significantly improved in most cases.
  • Changed movie.xyz from the simplest XYZ format to an extended XYZ format.
  • Used atom symbols in restart.out for NEP potentials.
  • Reported an error message if NPT is used with triclinic box.
  • Fixed a hidden bug related to variable initialization.
Assets 2
Loading