#93 Gaussian 98 + NoSymm problem

closed
Miguel
5
2006-03-26
2003-11-23
Michael
No

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

jamiev@cs.mun.ca

Discussion

  • Michael

    Michael - 2004-05-14
    • assigned_to: nobody --> michaelthoward
     
  • Michael

    Michael - 2004-05-14

    Logged In: YES
    user_id=608250

    ---------------------------- Original Message
    ---------------------------- Subject: Jmol bug report -
    Gaussian 98 + NoSymm problem
    From: "Miguel" <miguel@jmol.org>
    Date: Fri, May 14, 2004 21:55
    To: jamiev@cs.mun.ca
    --------------------------------------------------------------------------

    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

    jamiev@cs.mun.ca

    --

    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

     
  • Miguel

    Miguel - 2004-05-26
    • assigned_to: michaelthoward --> migueljmol
     
  • Miguel

    Miguel - 2006-03-26
    • status: open --> closed
     

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