SourceForge has been redesigned. Learn more.
Close

#508 regression from version 11 in displaying NWChem results

v12
closed-fixed
5
2011-12-02
2011-07-22
No

If I load the output of a vibrational analysis by NWChem (v6.0 even if I don't think version is relevant) with the latest released jmol, vibrational modes are rendered properly, but IR intensity is not shown among properties in the AtomSetChooser. It is properly displayed in versions 11.8.18, 11.2.1 and probably earlier ones. I attach one such output (gzipped) to reproduce the problem.

Discussion

  • Giacomo Mulas

    Giacomo Mulas - 2011-07-22
     
  • Bob Hanson

    Bob Hanson - 2011-07-22

    12.0 should work, just not 12.1. I've fixed that but need to fix a few other things before uploading.

     
  • Bob Hanson

    Bob Hanson - 2011-07-22
    • status: open --> open-fixed
     
  • Bob Hanson

    Bob Hanson - 2011-12-02
    • status: open-fixed --> closed-fixed
     

Log in to post a comment.