Einar Coutin wrote:
Hi again.
Can someone please tell me where is the isosurface information located
within the .cube files, i plan on building my own for use as orbitals
on other molecules as separate files.
I don't know ;)
I checked some .cube files like ch3cl-density.cub.gz and
o2h2_1_04.cube.gz , all i see are 6 fields, frist in continuum and the
following 5 with a separatin row each 9 rows.
Maybe a tutorial is in order, i'll be glad to contribute.
Every contribution is welcome, especially on Jmol documentation.
If you are interested, you could contribute documentation in the Jmol wiki.
http://wiki.jmol.org/
Even if you don't feel writing a full tutorial/documentation on a
subject (like isosurface or .cube files), you could start a new page in
the wiki and then ask in the list for other people to contribute by
completing a first version.
I think the Jmol team (I am for sure) would be very interested in having
good documentation available in the wiki.
My own opinion is usually that users make better documentation than
developers
Nico
(trying to promote the wiki)
Thank you
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