Hello,
Thank you all who are helping me with this openbabel. I have
difficultieswith conversion of pwscf files.Colleague of mine had the
same problem, but was able to fix it. But now we
cannot reproduce this "fix". But back to case, when I am wanted to convert
a valid pwscf file like this:
babel -i pwscf pw.out -o xyz out.xyz
the result is always:
0 molecules converted
2 audit log messages
I obtained from git repository, compiled with g++ with support of eigen2.
Its version 2.3.90. What i am missing, What are those audit log messages.
How can I view them.
Regards!
------------------------------------------------------------------------------
Rapidly troubleshoot problems before they affect your business. Most IT
organizations don't have a clear picture of how application performance
affects their revenue. With AppDynamics, you get 100% visibility into your
Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss