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Releases: deepmodeling/dpdata

0.1.13

03 Jan 09:38
@amcadmus amcadmus
0.1.13
ec284a2
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0.1.13

New features:

  • Replicate and disturb simulation cell
  • Support cp2k/aimd_output
  • Support nopbc
  • Support interfaces to ase and pymatgen structures
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