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v2.0.0-beta.0

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@amcadmus amcadmus released this 20 May 00:11
363f9ba

Increment to v2.0.0-alpha:

New features:

  • Atom type embedding
  • Model deviation for virial

Enhancement:

  • Improved documentation
  • Better support for dipole and polarizability learning
  • bit operations to encode neighbor information
  • MPI support for atomic model deviation #628
  • UT for GPU code #569
  • UT for model compression #586
  • Test Lammps build #600

Bug fixings

  • cuda memory access error #566
  • relative force model deviation is not copied back at single precision #599
  • correct way of allocating memory in float precision #612
  • fix TB logdir remove bug #617
  • Append out_file when lammps restarts #640