Bugs item #783663, was opened at 2003-08-05 13:05 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=783663&group_id=23629
Category: File Input/Output Group: v7 Status: Open Resolution: None Priority: 5 Submitted By: Eric Patterson (epatters) Assigned to: Nobody/Anonymous (nobody) Summary: Some G03 frequency output files won't open Initial Comment: I have noticed that Gaussian 03 frequency output files that lack Raman data do not open using Jmol v7. This is somewhat problematic since Raman activites are not computed by default using most levels of theory. Ouput files that contain Raman data are opened. This bug should be easily reproduced using the following keywords (I am using G03 version B.4 under Mac OS 10.2.6, and the latest download of Jmol). Job that will fail to open: # b3lyp sto-3g opt freq Job that will open: # b3lyp sto-3g opt freq=raman Thank you for your attention to this issue. - Eric ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=783663&group_id=23629 ------------------------------------------------------- This SF.Net email sponsored by: Free pre-built ASP.NET sites including Data Reports, E-commerce, Portals, and Forums are available now. Download today and enter to win an XBOX or Visual Studio .NET. http://aspnet.click-url.com/go/psa00100003ave/direct;at.aspnet_072303_01/01 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
