CCL:G: available user interfaces for g03
- From: Andrew R Turner <andrew.turner^_^ed.ac.uk>
- Subject: CCL:G: available user interfaces for g03
- Date: Wed, 05 Nov 2008 09:51:56 +0000
Sent to CCL by: Andrew R Turner [andrew.turner+*+ed.ac.uk]
Another excellent free option is Jmol (which can run as a standalone
application or in a web page as an applet). It contains tools for
creating G03 input files and for reading output and cube files. The
isosurface display options are particularly good (much better than
anything else I have come across).
If you require a feature that is not yet implemented in Jmol then
requests are usually dealt with speedily. Plus, it is open source so
you can always add it yourself!
and demos at:
Quoting "Massimiliano Arca marca/./unica.it"
Sent to CCL by: "Massimiliano Arca" [marca^^^unica.it]
You probably need something such as GaussView, which anyhow is
commercial (and expensive). If your needs are not too complex, you
could try Molden or Gabedit.
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Dr Andrew R. Turner
t: +44 (0)131 651 3578
p: Edinburgh Parallel Computing Centre
University of Edinburgh
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