Bugs item #847643, was opened at 2003-11-23 09:26 Message generated for change (Settings changed) made by migueljmol You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=847643&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File Input/Output Group: None >Status: Closed Resolution: None Priority: 5 Submitted By: Miguel (michaelthoward) Assigned to: Miguel (migueljmol) Summary: Gaussian 98 + NoSymm problem Initial Comment: 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 [EMAIL PROTECTED] ---------------------------------------------------------------------- Comment By: Miguel (michaelthoward) Date: 2004-05-14 15:57 Message: Logged In: YES user_id=608250 ---------------------------- Original Message ---------------------------- Subject: Jmol bug report - Gaussian 98 + NoSymm problem From: "Miguel" <[EMAIL PROTECTED]> Date: Fri, May 14, 2004 21:55 To: [EMAIL PROTECTED] -------------------------------------------------------------------------- Jamie, I am trying to follow up on a bug report which you submitted some time ago. -- 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 [EMAIL PROTECTED] -- I am not that familiar with Gaussian ... although I rewrote the file input for Jmol v10. Can you send me a sample file that uses the NoSymm option so that I can see whether or not it works? Thanks, Miguel ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=847643&group_id=23629 ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
