From: Jamie V. <ja...@cs...> - 2003-11-22 20:18:31
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I've noticed that JMOL cannot read output files from Gaussian 98 when = the NoSymm command is used. It appears that it cannot recognize the = file format. This seems to be true for either geometry optimizations = and also single point frequency calculations. The version that I am = using is JMOL 8, and I am hoping the correction will be in the next = version. Thanks, I apologize if this mailing list is not the appropriate place to send = this comment. Jamie Vaters |
From: Egon W. <eg...@sc...> - 2003-11-23 10:08:43
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On Saturday 22 November 2003 21:18, Jamie Vaters wrote: > I've noticed that JMOL cannot read output files from Gaussian 98 when the > NoSymm command is used. It appears that it cannot recognize the file > format. This seems to be true for either geometry optimizations and also > single point frequency calculations. The version that I am using is JMOL > 8, and I am hoping the correction will be in the next version. Thanks, Can you send me a few test files and indicate wether we can distribute them for future testing? Having test files makes it a lot easier to solve the problem... > I apologize if this mailing list is not the appropriate place to send this > comment. The user list of mostly intended for user questions dealing with how to use Jmol... but bugs are more than welcome to be posted in the developers list... Egon |
From: Miguel <mt...@mt...> - 2003-11-23 14:25:02
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Jamie, Thanks for taking the time to send this message. Unfortunately, I'm not the file format guy, so I cannot help you. But I file a bug report right now. > I've noticed that JMOL cannot read output files from Gaussian 98 when > the NoSymm command is used. It appears that it cannot recognize the > file format. This seems to be true for either geometry optimizations > and also single point frequency calculations. The version that I am > using is JMOL 8, and I am hoping the correction will be in the next > version. > I apologize if this mailing list is not the appropriate place to send > this comment. This absolutely *is* the right place to send this type of info. Miguel |