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v0.2.1

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@amcadmus amcadmus released this 11 Jun 00:13
· 380 commits to master since this release
59dfe7d

New features:

  • Support abacus #154
  • Support cp2k/restart_aimd_ouput #140
  • Support AmberTools sqm/out and BondOrderSystem #157
  • Support DP 2.x inference #162

Enhancement

  • Support vasp6 OUTCAR #151
  • Support parse large forces in Gaussian #155
  • Add support for reading and dumping multi-frames for gro file #145
  • Add dump system to gaussian input file #145
  • Unites for qe/pw/scf's crystal unit atomic positions read in #154