[Wien] xcrysden installed but not able to integrate with wien2k interface
Gavin Abo
gsabo at crimson.ua.edu
Sun Oct 28 06:09:34 CET 2018
Sure, you can manually add/edit XCRYSDEN_TOPDIR according to the
XCrySDen website:
http://www.xcrysden.org/doc/install.html
However, I installed XCrySDen on Fedora 28 starting with step 8 at
http://www.democritos.it/pipermail/xcrysden/2015-March/001697.html
and it installed just fine for me. The ./xcConfigure.sh step was still
able to automatically setup the XCrySDen environmental variables like
XCRYSDEN_TOPDIR.
The w2web was running before I installed XCrySDen such that "view
structure" was not working in w2web. However, it started working fine
after following previous advise in the mailing list to kill and restart
w2web:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01987.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04236.html
To use w2web offline, the system's hostname can be set to [
https://en.wikipedia.org/wiki/Localhost ]: localhost
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01124.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15629.html
On 10/27/2018 12:43 PM, Ashwani Kumar wrote:
> Hi,
> i have installed xcrysden and know there some changes required in "TOP
> DIRECTORY" to integrate it into wien2k user interface. I tried
> changing it but remain unsuccessful. Browsed threads for the same
> problem, found plenty in wien2k mailing list but still could not
> understand how to do it. I am using xcrysden offline. Please help
> with this.
>
> thanks,
> Ashwani Kumar
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