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@amcadmus amcadmus released this 03 Oct 03:05
· 215 commits to master since this release
0.2.10
2ac2f48
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Learn about vigilant mode.

New features:

  • 3dmol format for visualization in jupyter (#357)
  • add Minimizer plugin and System.minimize method (#304)

Enhancements:

  • replace deprecated np.int by int (#340)
  • docs: add authors section for credits (#345)
  • add unwrap support for lammps dump (#339)
  • cp2k: Update output.py (#346)
  • add option to ignore convergence check for vasp/contcar (#355)

Bug fixings:

  • fix abacus: transfer coords[-1] to numpy type in relax.py:get_coords_from_log() (#343)
  • fix DataError message (#351)
  • vasp: find the line index of viral in OUTCAR (#352)
  • bugfix: add pbc information from ase atoms (#358)
  • abacus: fix the judgement of convergence in abacus/scf (#360)
  • fix compatible with importlib_metadata 5.0.0 and Python 3.12 (#362)
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