Hi, Could you please attach the file input.txt /Fredrik
Skickat från min iPhone 1 jan 2013 kl. 02:36 skrev sencer <[email protected]>: > Hi I am trying to use openbabel 2.3.2 for pwscf input/output files. It > successfully reads the files and get correct number of correct atoms, but it > doesn't get coordinates of atoms. Here is a section from the output of > "obabel -ipwscf input.txt -ocif" command. > ... > Ti Ti1 0.00000 0.00000 0.00000 > Ti Ti2 0.00000 0.00000 0.00000 > Ti Ti3 0.00000 0.00000 0.00000 > Ti Ti4 0.00000 0.00000 0.00000 > Ti Ti5 0.00000 0.00000 0.00000 > ... > > What might be the reason for this? > > > > -- > View this message in context: > http://forums.openbabel.org/pwscf-format-tp4655846.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, > MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current > with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft > MVPs and experts. ON SALE this month only -- learn more at: > http://p.sf.net/sfu/learnmore_122712 > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft MVPs and experts. ON SALE this month only -- learn more at: http://p.sf.net/sfu/learnmore_122712 _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
