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Releases: solamir/moments_of_inertia

v1.3.1

18 Apr 09:54
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Added

  • The new rules for replacing symbols of elements with their masses
  • Separate file entry

v1.3

10 Apr 05:58
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Added

  • Key -h (--help) for displaying short help
  • New examples

Changed

  • Changed the calculation mechanism, thereby reducing memory consumption
  • Completely redesigned output of program
  • Removed keys -d, -i, -o[1-5] and -l (all output of the program is now in the output file)
  • Removed guides

v1.2

04 Mar 16:36
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Added

  • The program now calculates the moments of inertia along all three axes
  • key -l for create a log file with a detailed report
  • Checking the correctness of chemical elements in the input file

Changed

  • Guides updates

Fixed

  • Code refactoring
  • Minor bugs fixed

v1.1

25 Feb 17:50
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Added

  • key -i for outputting source data to a report

Changed

  • Completely redesigned output program
  • In the output file, the extension of the input file .xyz is no longer specified.
  • Guides updates

Fixed

  • Minor bugs fixed

v1.0

24 Feb 05:47
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v1.0