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@amcadmus amcadmus released this 09 Apr 06:45
· 454 commits to master since this release
0.1.16
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Learn about vigilant mode.

New features:

  • support amber MD trajectory
  • support FHI-AIMS MD and SCF outputs
  • support gromacs .gro configuration
  • support slice in MultiSystem
  • predict energy, force and virial from a deep potential model
  • support RDF calculation
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