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#478 GAMESS reader mode vectors not with right energies

v11
closed-fixed
Miguel
5
2010-03-22
2010-03-21
No

It appears that we have a cyclical offset in assigning vibrational mode vectors to energies in the GAMESS reader 11.9.35_dev . Highest energy is showing up with the motions of one of the rotations and one rotation is showing up with low energy bending. I think this is a file reader error and not the data file, but I haven\'t got time to check now. Logging this in so that I don\'t forget.

Discussion

  • Jonathan Gutow

    Jonathan Gutow - 2010-03-21

    Definitely and 11.9 problem. Works OK in 11.8

     
  • Bob Hanson

    Bob Hanson - 2010-03-22

    fixed for 11.9.36.

     
  • Bob Hanson

    Bob Hanson - 2010-03-22
    • status: open --> open-fixed
     
  • Bob Hanson

    Bob Hanson - 2010-03-22
    • status: open-fixed --> closed-fixed
     

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