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@ml-evs ml-evs released this 03 Jun 09:32
· 130 commits to master since this release
0.9.11
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Learn about vigilant mode.
  • Minor change: allow specification of arbitrary strings for CASTEP pseudopotential libraries (#156).
  • Bug fix: standardize_cell script failing to use default symmetry tolerance value (#157).
  • Bug fix: scraping of .cif files with single atoms and no symmetries (#173)
  • Bug fix: scraping of Hubbard U values from .castep files, and associated bugs when performing relaxations with Hubbard U (#180)
  • Dependency updates and Python 3.6 deprecation warning (#158, #181)
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