CCL: 2D Relaxed Surface Scan?!?!?!?
- From: Andrei Potapov <asp99!=!yandex.ru>
- Subject: CCL: 2D Relaxed Surface Scan?!?!?!?
- Date: Tue, 08 Nov 2011 20:38:18 +0400
Sent to CCL by: Andrei Potapov [asp99[a]yandex.ru]
Unfortunately, it can't. I came across the same problem recently - relaxed
surface scans with 2 or more coordinates and could not find the right software.
ORCA can only scan one coordinate in one job. The solution could be creatig a
series of job files with different values for one coordinate and scaning the
other. But if more than 2 coordinates have to be scaned the number of files to
be manually processed becomes to large.
Hope someone will suggest a freeware tool for cordinate scans.
Andrei
08.11.2011, 18:31, "Adam Kubas ad.kubas(0)gmail.com"
<owner-chemistry[A]ccl.net>:
> Sent to CCL by: Adam Kubas [ad.kubas#,#gmail.com]
> Dear Peter,
>
> I think ORCA can do this job:
> http://www.thch.uni-bonn.de/tc/orca/
>
> Adam Kubas> http://www.ccl.net/cgi-bin/ccl/send_ccl_message>
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