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kgrid release 1.1

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@ajjackson ajjackson released this 30 Apr 13:20
· 18 commits to master since this release

Fixed

  • Python3 compatibility
  • Bug in decimal place tolerance option

Added

  • Comma-separated kgrid-series output option
  • CASTEP-like reciprocal spacing cutoff option (2π factor smaller than KSPACING)

Changed

  • Make filename a positional argument; -f or --filename no longer needed