Vibrations: intensities are in km/mol, not a.u

Bugs item #2781594, was opened at 2009-04-26 13:49
Message generated for change (Tracker Item Submitted) made by mbanck
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Category: Interface
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Michael Banck (mbanck)
Assigned to: Nobody/Anonymous (nobody)
Summary: vibrations: intensities are in km/mol, not a.u.

Initial Comment:
The vibration dialog has “a.u.” as column header for intensities; however, OpenBabel stores intensities in km/mol, not in atomic units.


You can respond by visiting:
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