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TURBOMOLE Modules
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Aoforce and Numforce
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disable "file=vibspectrum"
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Topic: disable "file=vibspectrum" (Read 5114 times)
peiden
Newbie
Posts: 2
Karma: +0/-0
disable "file=vibspectrum"
«
on:
August 02, 2012, 04:11:33 PM »
Hi,
is there an option to disable the setting "file=vibspectrum"? I really would like to have this output in my control file (as it has happened with older TURBOMOLE versions).
Thank you and kind regards,
Philipp Eiden
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Arnim
Developers
Sr. Member
Posts: 253
Karma: +0/-0
Re: disable "file=vibspectrum"
«
Reply #1 on:
August 07, 2012, 04:04:52 PM »
Hi,
you just have to write
$vibrational spectrum
in the control file before running aoforce.
Cheers,
Arnim
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TURBOMOLE Users Forum
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TURBOMOLE Modules
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Aoforce and Numforce
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disable "file=vibspectrum"