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@amcadmus amcadmus released this 21 Apr 00:06
· 311 commits to master since this release
0.2.6
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Breaking changes:

  • change default precision to float64
  • ABACUS versions before 2.2 are not supported anymore.

New features:

Enhancement:

  • skip UTs when we do not have parmed, ase, pymatgen (#249)
  • breaking: adjust the default precision to float64 (#261)
  • add the deepmodeling banner to doc (#254)
  • add default cells when loading hdf5 data (#262)
  • support list for System indexing (#264)
  • add docstring to from/to method (#266)
  • adapt dpdata interface to ABACUS 2.2.0 (#270)
  • generate formats table in doc (#269)
  • batch replace 'except:' with 'except Exception:' (#271)

Bug fixings:

  • fix bug of duplicated atom names in vasp output (#250)
  • fix the vasp 6.3 outcar with ML forces (#251)
  • fix sqm/out forces (#267)
  • fixed issue #268 about qe/pw/scf (#270)
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