PWSCF is a relatively new addition to the parser. So it's possible that it's a new type of file that isn't read correctly. Can you send me an example file or two?
Thanks very much, -Geoff On Dec 2, 2013, at 8:41 AM, Otto Kohulák <pra...@gmail.com> wrote: > Hello, > > Thank you all who are helping me with this openbabel. I have difficulties > with 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 ------------------------------------------------------------------------------ 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
